ketcher-react 3.3.0-rc.3 → 3.4.0-rc.1
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/cjs/components/Icon/Icon.d.ts +1 -1
- package/dist/cjs/components/Icon/types.d.ts +2 -0
- package/dist/cjs/index.js +103 -49
- package/dist/cjs/index.js.map +1 -1
- package/dist/cjs/{index.modern-17804972.js → index.modern-a314d918.js} +11656 -9411
- package/dist/cjs/index.modern-a314d918.js.map +1 -0
- package/dist/cjs/script/ui/Portal/Portal.d.ts +1 -0
- package/dist/cjs/script/ui/component/view/savebutton.d.ts +1 -0
- package/dist/cjs/script/ui/views/modal/components/document/Open/components/DialogActionButton.d.ts +2 -1
- package/dist/cjs/script/ui/views/modal/components/document/Open/components/FileDrop.d.ts +2 -1
- package/dist/cjs/script/ui/views/modal/components/document/Open/components/TextEditor.d.ts +2 -1
- package/dist/components/Icon/Icon.d.ts +1 -1
- package/dist/components/Icon/types.d.ts +2 -0
- package/dist/index.js +104 -50
- package/dist/index.js.map +1 -1
- package/dist/{index.modern-e64950b9.js → index.modern-ac2ddbd4.js} +11656 -9413
- package/dist/index.modern-ac2ddbd4.js.map +1 -0
- package/dist/script/ui/Portal/Portal.d.ts +1 -0
- package/dist/script/ui/component/view/savebutton.d.ts +1 -0
- package/dist/script/ui/views/modal/components/document/Open/components/DialogActionButton.d.ts +2 -1
- package/dist/script/ui/views/modal/components/document/Open/components/FileDrop.d.ts +2 -1
- package/dist/script/ui/views/modal/components/document/Open/components/TextEditor.d.ts +2 -1
- package/package.json +1 -1
- package/dist/cjs/index.modern-17804972.js.map +0 -1
- package/dist/index.modern-e64950b9.js.map +0 -1
package/dist/cjs/index.js
CHANGED
|
@@ -164,6 +164,7 @@ function createApi(structServiceProvider, defaultOptions) {
|
|
|
164
164
|
generateImageAsBase64: structService.generateImageAsBase64.bind(structService),
|
|
165
165
|
getInChIKey: structService.getInChIKey.bind(structService),
|
|
166
166
|
toggleExplicitHydrogens: structService.toggleExplicitHydrogens.bind(structService),
|
|
167
|
+
calculateMacromoleculeProperties: structService.calculateMacromoleculeProperties.bind(structService),
|
|
167
168
|
destroy: (_structService$destro = structService.destroy) === null || _structService$destro === void 0 ? void 0 : _structService$destro.bind(structService)
|
|
168
169
|
});
|
|
169
170
|
}
|
|
@@ -1110,7 +1111,7 @@ var storage = {
|
|
|
1110
1111
|
}
|
|
1111
1112
|
};
|
|
1112
1113
|
|
|
1113
|
-
var templatesRawData$2 = "alpha-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.4110 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4110 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2304 0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0499 1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2360 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8478 2.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3208 3.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3208 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2360 1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1456 2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1456 3.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0499 3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Arabinofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.9332 3.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5926 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7765 1.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7048 3.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0588 2.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8825 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1801 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1909 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5142 2.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4573 3.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Arabinopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Erythrofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 6 0 0\n 6 2 1 6 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Lyxofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Lyxopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Psicofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n 15.0740 -8.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3759 -8.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7463 -10.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5700 -10.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6353 -7.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2665 -9.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1656 -7.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4589 -8.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1574 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8298 -8.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8731 -8.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 1 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 6 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Ribofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Ribopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Sorbofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 6 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Tagatofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 1 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Threofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 6 0 0\n 6 2 1 1 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Xylofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Xylopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nCyclopenta-1,3-diene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 9.6696 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6696 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4243 -4.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1804 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1804 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 1 5 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\n1H-indene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.1899 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1899 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0555 -5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9228 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9228 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0555 -3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8731 -5.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4601 -4.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8731 -3.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 5 9 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n6\n\n> <bondid>\n7\n\n$$$$\nNaphtalene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 11.0090 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1429 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1429 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0090 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8751 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8751 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7410 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7410 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6071 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6071 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n6\n\n> <bondid>\n10\n\n$$$$\nAzulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 12.4941 -7.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2759 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4941 -5.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5192 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0853 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5192 -7.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2270 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2759 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2270 -7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8147 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 8 2 0 0 0\n 1 6 1 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 7 2 2 0 0 0\n 7 10 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 2 8 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n4\n\n> <bondid>\n4\n\n$$$$\nE-Stilbene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 15 0 0 0 999 V2000\n 10.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3250 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 14 9 1 0 0 0\n 10 9 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n2\n\n> <bondid>\n3\n\n$$$$\nZ-Stilbene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 15 0 0 0 999 V2000\n 12.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 9 14 2 0 0 0\n 10 11 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n3\n\n> <bondid>\n3\n\n$$$$\nAnthracene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 16 0 0 0 999 V2000\n 8.0930 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2269 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2269 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0930 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9591 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9591 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6911 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6911 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5571 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5571 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4231 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4231 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 8 9 2 0 0 0\n 11 10 1 0 0 0\n 9 10 1 0 0 0\n 9 12 1 0 0 0\n 11 14 2 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n15\n\n$$$$\nPhenantrene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 16 0 0 0 999 V2000\n 10.7760 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9099 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9099 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7760 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6420 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6420 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2401 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2401 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 9 10 1 0 0 0\n 8 11 2 0 0 0\n 8 9 1 0 0 0\n 9 14 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyrene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 19 0 0 0 999 V2000\n 13.2084 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2084 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -4.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3434 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3434 -4.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2084 -4.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2065 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -6.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 6 1 0 0 0\n 3 7 2 0 0 0\n 7 8 1 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\n 4 10 2 0 0 0\n 2 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 7 13 1 0 0 0\n 13 14 2 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 8 16 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n12\n\n$$$$\nTriphenylene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 21 0 0 0 999 V2000\n 10.5140 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5140 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6491 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7859 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7859 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6491 -4.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -6.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 6 1 0 0 0\n 1 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 2 10 1 0 0 0\n 5 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\n 6 14 1 0 0 0\n 3 15 1 0 0 0\n 15 16 2 0 0 0\n 16 17 1 0 0 0\n 17 18 2 0 0 0\n 4 18 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n7\n\n> <bondid>\n8\n\n$$$$\nTriptycene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 24 0 0 0 999 V2000\n 9.9580 -4.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9460 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4637 -3.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5123 -3.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9580 -2.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5123 -2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3265 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8129 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5262 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3987 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9317 -4.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3151 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4284 -3.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6530 -3.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1683 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0407 -4.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5412 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7350 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4524 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7528 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 1 5 1 0 0 0\n 5 6 2 0 0 0\n 4 6 1 0 0 0\n 4 7 1 0 0 0\n 1 8 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 7 12 1 0 0 0\n 3 13 1 0 0 0\n 13 14 2 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 2 16 1 0 0 0\n 5 17 1 0 0 0\n 17 18 2 0 0 0\n 18 19 1 0 0 0\n 19 20 2 0 0 0\n 6 20 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n18\n\n> <bondid>\n21\n\n$$$$\n14-Annulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 12.0122 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1483 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8762 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8762 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3221 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3221 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9139 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7779 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7779 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0500 -5.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9139 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 2 0 0 0\n 2 3 2 0 0 0\n 4 5 1 0 0 0\n 3 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 4 11 2 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 14 9 1 0 0 0\n 8 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n18-Annulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 9.2590 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1250 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9910 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7230 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7230 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5270 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5270 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2590 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1250 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9910 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 4 1 0 0 0\n 2 3 1 0 0 0\n 5 4 2 0 0 0\n 5 7 1 0 0 0\n 6 7 2 0 0 0\n 6 10 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 3 11 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 14 15 2 0 0 0\n 15 16 1 0 0 0\n 16 17 2 0 0 0\n 18 8 2 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPorphyrin\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 24 28 0 0 0 999 V2000\n 6.4862 -8.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1697 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0926 -8.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9419 -7.9790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9418 -7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1979 -4.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4907 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9262 -6.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8876 -5.8394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0931 -4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4706 -6.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4476 -5.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7641 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8408 -4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0279 -5.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9564 -5.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9807 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8077 -9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4794 -8.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0074 -7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0106 -7.9610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8407 -8.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9886 -9.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4636 -6.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 1 5 1 0 0 0\n 5 11 2 0 0 0\n 3 23 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 10 2 0 0 0\n 10 17 1 0 0 0\n 8 11 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 12 16 1 0 0 0\n 16 24 1 0 0 0\n 14 17 2 0 0 0\n 18 19 2 0 0 0\n 19 20 1 0 0 0\n 20 21 1 0 0 0\n 21 22 1 0 0 0\n 18 22 1 0 0 0\n 22 23 2 0 0 0\n 20 24 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n0\n\n$$$$\nPhthalocyanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 40 48 0 0 0 999 V2000\n 13.9159 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8818 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5888 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3301 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9102 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9102 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3301 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5888 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8818 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9159 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6571 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7660 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9224 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -9.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9840 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0929 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8341 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8682 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1612 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4199 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8398 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8276 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8398 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4199 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1612 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8682 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8341 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0929 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9840 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8276 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -4.5109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7660 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9224 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6571 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\n 9 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 8 16 2 0 0 0\n 15 17 2 0 0 0\n 17 18 1 0 0 0\n 18 19 2 0 0 0\n 19 20 1 0 0 0\n 20 21 2 0 0 0\n 21 22 1 0 0 0\n 22 23 2 0 0 0\n 23 24 1 0 0 0\n 19 24 1 0 0 0\n 24 25 2 0 0 0\n 25 26 1 0 0 0\n 18 26 1 0 0 0\n 25 27 1 0 0 0\n 27 28 2 0 0 0\n 28 29 1 0 0 0\n 29 30 2 0 0 0\n 30 31 1 0 0 0\n 31 32 2 0 0 0\n 32 33 1 0 0 0\n 33 34 2 0 0 0\n 29 34 1 0 0 0\n 34 35 1 0 0 0\n 35 36 2 0 0 0\n 28 36 1 0 0 0\n 35 37 1 0 0 0\n 37 38 2 0 0 0\n 38 39 1 0 0 0\n 6 39 1 0 0 0\n 38 40 1 0 0 0\n 1 40 1 0 0 0\n 5 40 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nC60\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 60 90 0 0 0 999 V2000\n 10.6305 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4365 -3.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8444 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4219 -5.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5101 -5.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5398 -3.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6243 -3.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6091 -4.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2501 -2.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0714 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6279 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2354 -2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7973 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4171 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9548 -0.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1712 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7491 -4.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3544 -3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8607 -5.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0881 -2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1915 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6908 -3.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7895 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5564 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2017 -6.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0400 -6.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6031 -6.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3296 -5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6757 -4.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1284 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5026 -6.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7601 -5.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6003 -5.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1810 -6.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8290 -5.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0080 -7.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3450 -7.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7432 -6.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1088 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8830 -6.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6700 -4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0651 -5.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2290 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4556 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6990 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8777 -3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8635 -4.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4704 -2.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0974 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2911 -1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1183 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6963 -2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5507 -3.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9700 -2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2594 -1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4391 -3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0504 -5.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2122 -5.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9459 -4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6724 -4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 3 1 0 0 0\n 1 12 1 0 0 0\n 2 4 1 0 0 0\n 2 6 1 0 0 0\n 3 11 2 0 0 0\n 3 35 1 0 0 0\n 4 5 2 0 0 0\n 4 33 1 0 0 0\n 5 8 1 0 0 0\n 5 38 1 0 0 0\n 6 7 2 0 0 0\n 6 13 1 0 0 0\n 7 8 1 0 0 0\n 7 54 1 0 0 0\n 8 59 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\n 9 20 1 0 0 0\n 10 12 1 0 0 0\n 10 14 1 0 0 0\n 11 19 1 0 0 0\n 12 13 2 0 0 0\n 13 16 1 0 0 0\n 14 15 2 0 0 0\n 14 21 1 0 0 0\n 15 16 1 0 0 0\n 15 50 1 0 0 0\n 16 55 2 0 0 0\n 17 18 1 0 0 0\n 17 19 2 0 0 0\n 17 28 1 0 0 0\n 18 20 2 0 0 0\n 18 22 1 0 0 0\n 19 27 1 0 0 0\n 20 21 1 0 0 0\n 21 24 2 0 0 0\n 22 23 2 0 0 0\n 22 29 1 0 0 0\n 23 24 1 0 0 0\n 23 46 1 0 0 0\n 24 51 1 0 0 0\n 25 26 1 0 0 0\n 25 27 2 0 0 0\n 25 36 1 0 0 0\n 26 28 2 0 0 0\n 26 30 1 0 0 0\n 27 35 1 0 0 0\n 28 29 1 0 0 0\n 29 32 2 0 0 0\n 30 31 2 0 0 0\n 30 37 1 0 0 0\n 31 32 1 0 0 0\n 31 42 1 0 0 0\n 32 47 1 0 0 0\n 33 34 1 0 0 0\n 33 35 2 0 0 0\n 34 36 2 0 0 0\n 34 38 1 0 0 0\n 36 37 1 0 0 0\n 37 40 2 0 0 0\n 38 39 2 0 0 0\n 39 40 1 0 0 0\n 39 58 1 0 0 0\n 40 43 1 0 0 0\n 41 42 1 0 0 0\n 41 44 2 0 0 0\n 41 47 1 0 0 0\n 42 43 2 0 0 0\n 43 57 1 0 0 0\n 44 48 1 0 0 0\n 44 60 1 0 0 0\n 45 46 1 0 0 0\n 45 48 2 0 0 0\n 45 51 1 0 0 0\n 46 47 2 0 0 0\n 48 52 1 0 0 0\n 49 50 1 0 0 0\n 49 52 2 0 0 0\n 49 55 1 0 0 0\n 50 51 2 0 0 0\n 52 56 1 0 0 0\n 53 54 2 0 0 0\n 53 56 1 0 0 0\n 53 59 1 0 0 0\n 54 55 1 0 0 0\n 56 60 2 0 0 0\n 57 58 2 0 0 0\n 57 60 1 0 0 0\n 58 59 1 0 0 0\nM END\n> <group>\nAromatics\n\n$$$$\nC80\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 80120 0 0 0 999 V2000\n 11.8140 -5.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5730 -4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3980 -3.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3673 -3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8724 -5.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8224 -5.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6539 -5.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4150 -4.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9660 -2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7771 -1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0084 -2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3368 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7715 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5128 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3575 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1355 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8558 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6671 -4.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4256 -3.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1773 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0790 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2783 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7476 -1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7551 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3396 0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9755 0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7881 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0200 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5229 -1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3638 -0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1415 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7930 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6051 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0017 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6029 -2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2792 -3.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3934 -0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8243 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5823 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0719 -3.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3761 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5941 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4269 -0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8338 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0674 -4.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5676 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3874 -3.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7983 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7257 -4.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1077 -6.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8850 -5.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4555 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4785 -3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8925 -4.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7361 -4.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1144 -5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9102 -6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4615 -6.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2725 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2295 -6.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1717 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5034 -4.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9729 -5.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4956 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2845 -3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2423 -4.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4737 -4.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9139 -5.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4340 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8516 -2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6760 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8824 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1818 -1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8621 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6814 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4502 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6453 -5.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6473 -3.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2489 -4.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9708 -3.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 5 1 0 0 0\n 1 48 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 3 11 2 0 0 0\n 3 47 1 0 0 0\n 4 8 2 0 0 0\n 4 9 1 0 0 0\n 5 7 2 0 0 0\n 5 59 1 0 0 0\n 6 7 1 0 0 0\n 6 17 2 0 0 0\n 6 60 1 0 0 0\n 7 8 1 0 0 0\n 8 19 1 0 0 0\n 9 10 2 0 0 0\n 9 13 1 0 0 0\n 10 11 1 0 0 0\n 10 12 1 0 0 0\n 11 23 1 0 0 0\n 12 16 2 0 0 0\n 12 21 1 0 0 0\n 13 15 2 0 0 0\n 13 19 1 0 0 0\n 14 15 1 0 0 0\n 14 20 2 0 0 0\n 14 29 1 0 0 0\n 15 16 1 0 0 0\n 16 31 1 0 0 0\n 17 18 1 0 0 0\n 17 77 1 0 0 0\n 18 19 2 0 0 0\n 18 20 1 0 0 0\n 20 80 1 0 0 0\n 21 22 2 0 0 0\n 21 25 1 0 0 0\n 22 23 1 0 0 0\n 22 24 1 0 0 0\n 23 35 2 0 0 0\n 24 28 2 0 0 0\n 24 33 1 0 0 0\n 25 27 1 0 0 0\n 25 31 2 0 0 0\n 26 27 2 0 0 0\n 26 32 1 0 0 0\n 26 41 1 0 0 0\n 27 28 1 0 0 0\n 28 43 1 0 0 0\n 29 30 2 0 0 0\n 29 73 1 0 0 0\n 30 31 1 0 0 0\n 30 32 1 0 0 0\n 32 76 2 0 0 0\n 33 34 2 0 0 0\n 33 37 1 0 0 0\n 34 35 1 0 0 0\n 34 36 1 0 0 0\n 35 47 1 0 0 0\n 36 40 1 0 0 0\n 36 45 2 0 0 0\n 37 39 2 0 0 0\n 37 43 1 0 0 0\n 38 39 1 0 0 0\n 38 44 2 0 0 0\n 38 53 1 0 0 0\n 39 40 1 0 0 0\n 40 55 2 0 0 0\n 41 42 1 0 0 0\n 41 69 2 0 0 0\n 42 43 2 0 0 0\n 42 44 1 0 0 0\n 44 72 1 0 0 0\n 45 46 1 0 0 0\n 45 49 1 0 0 0\n 46 47 2 0 0 0\n 46 48 1 0 0 0\n 48 52 2 0 0 0\n 49 51 2 0 0 0\n 49 55 1 0 0 0\n 50 51 1 0 0 0\n 50 56 1 0 0 0\n 50 57 2 0 0 0\n 51 52 1 0 0 0\n 52 59 1 0 0 0\n 53 54 2 0 0 0\n 53 65 1 0 0 0\n 54 55 1 0 0 0\n 54 56 1 0 0 0\n 56 68 2 0 0 0\n 57 58 1 0 0 0\n 57 61 1 0 0 0\n 58 59 2 0 0 0\n 58 60 1 0 0 0\n 60 64 2 0 0 0\n 61 63 2 0 0 0\n 61 68 1 0 0 0\n 62 63 1 0 0 0\n 62 66 1 0 0 0\n 62 78 2 0 0 0\n 63 64 1 0 0 0\n 64 77 1 0 0 0\n 65 67 2 0 0 0\n 65 72 1 0 0 0\n 66 67 1 0 0 0\n 66 70 2 0 0 0\n 67 68 1 0 0 0\n 69 71 1 0 0 0\n 69 76 1 0 0 0\n 70 71 1 0 0 0\n 70 74 1 0 0 0\n 71 72 2 0 0 0\n 73 75 1 0 0 0\n 73 80 2 0 0 0\n 74 75 2 0 0 0\n 74 78 1 0 0 0\n 75 76 1 0 0 0\n 77 79 2 0 0 0\n 78 79 1 0 0 0\n 79 80 1 0 0 0\nM END\n> <group>\nAromatics\n\n$$$$\nbeta-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.8119 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8119 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1792 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5466 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1834 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4956 2.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4956 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1834 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5466 2.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Arabinofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.4482 2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9421 0.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5781 0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7753 2.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5387 1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1593 2.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3822 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1394 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3816 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0881 2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Arabinopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Erythrofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 1 0 0\n 6 2 1 6 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Fructofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6256 2.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1524 2.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6198 1.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2536 1.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4559 2.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2256 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3100 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8350 2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0608 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8182 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0592 2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7755 2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 1 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Lyxofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Lyxopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Psicofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n 14.8241 -7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1260 -7.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4964 -9.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3201 -9.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3854 -6.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0166 -7.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9157 -6.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2090 -7.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9075 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8961 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5799 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6232 -7.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 6 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 6 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Ribofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Ribopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Sorbofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 6 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Tagatofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 1 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Threofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 1 0 0\n 6 2 1 1 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Xylofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Xylopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nBicyclo[1-1-1]pentane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 6 0 0 0 999 V2000\n 9.8610 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4888 -6.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5708 -7.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8036 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9790 -7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 4 5 1 0 0 0\n 1 5 1 0 0 0\n 4 3 1 0 0 0\n 2 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nBicyclo[2-1-1]hexane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 7 0 0 0 999 V2000\n 9.7097 -6.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3181 -5.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4180 -6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6494 -7.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7820 -7.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4069 -7.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 3 6 1 0 0 0\n 4 5 1 0 0 0\n 4 6 1 0 0 0\n 1 5 1 0 0 0\n 2 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n2\n\n$$$$\nBicyclo[2-2-1]heptane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 8 0 0 0 999 V2000\n 8.4502 -7.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8558 -6.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5667 -6.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3112 -7.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3890 -5.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4498 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1221 -7.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 3 1 0 0 0\n 3 6 1 0 0 0\n 6 7 1 0 0 0\n 7 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n6\n\n$$$$\nBicyclo[3-1-1]heptane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 8 0 0 0 999 V2000\n 8.2782 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5291 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9238 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7847 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6209 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3670 -1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6898 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 0 0 0\n 6 2 1 0 0 0\n 1 7 1 0 0 0\n 7 4 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[2-2-2]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 10.8583 -6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9678 -6.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6767 -5.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9692 -6.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1340 -4.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7980 -5.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8417 -5.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8429 -4.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 6 1 0 0 0\n 4 7 1 0 0 0\n 5 8 1 0 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[3-2-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 9.0974 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4087 -6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7744 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5802 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4086 -5.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2389 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9413 -6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7036 -6.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 0 0 0\n 6 2 1 0 0 0\n 4 7 1 0 0 0\n 1 8 1 0 0 0\n 7 8 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n7\n\n$$$$\nBicyclo[4-1-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 9.6925 -6.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0458 -6.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3397 -7.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2905 -6.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9462 -6.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7017 -6.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0038 -6.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8230 -5.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\n 7 2 1 0 0 0\n 8 1 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nBicyclo[4-1-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 10.2044 -7.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5546 -7.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4884 -7.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8148 -7.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4736 -7.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2224 -6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3764 -8.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3337 -6.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\n 7 2 1 0 0 0\n 8 1 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nBicyclo[3-2-2]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 8.9873 -5.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9396 -4.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9753 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0774 -6.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5071 -5.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2317 -7.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8683 -7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5608 -6.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5275 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 2 5 1 0 0 0\n 3 6 1 0 0 0\n 4 7 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n5\n\n$$$$\nBicyclo[3-3-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 8.9718 -5.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8721 -5.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4727 -5.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5289 -7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5522 -7.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0453 -6.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7203 -6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3240 -5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6297 -4.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 9.1712 -6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1464 -6.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8839 -5.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6571 -5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6761 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9410 -6.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9661 -6.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7138 -6.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9410 -4.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 6 9 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 9.8115 -5.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9067 -6.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8460 -5.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6107 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6184 -5.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -6.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7040 -6.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6444 -6.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 6 9 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.9553 -6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1245 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8626 -5.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8073 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6505 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9147 -6.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9374 -6.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6857 -6.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8236 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 9 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[5-1-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.7834 -6.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6536 -6.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4441 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1897 -5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3360 -5.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0166 -6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7177 -6.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6682 -6.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6683 -5.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 1 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 2 1 0 0 0\n 3 9 1 0 0 0\n 2 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n4\n\n$$$$\nBicyclo[3-3-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.6949 -6.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6532 -5.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6838 -7.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8949 -7.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2198 -6.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9375 -8.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5821 -8.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2787 -7.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2352 -7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0125 -6.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 2 5 1 0 0 0\n 3 6 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 4 10 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n4\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8472 -8.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7259 -7.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4386 -7.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2848 -6.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3998 -7.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6896 -7.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8114 -8.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5351 -7.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5895 -6.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8736 -6.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.7142 -6.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8068 -6.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5207 -5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5526 -5.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4737 -5.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7622 -5.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8793 -6.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6043 -5.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6627 -4.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9456 -4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8948 -6.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1410 -7.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0133 -6.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6416 -5.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5699 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8608 -6.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9867 -6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7095 -6.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7603 -4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0456 -5.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.3349 -6.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2468 -6.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9681 -5.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7891 -5.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8711 -5.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1522 -6.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1339 -6.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6912 -5.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0551 -4.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6319 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 9 6 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8223 -6.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1166 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8745 -6.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5558 -5.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5492 -5.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8328 -6.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6175 -6.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4940 -5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7350 -4.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3255 -5.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 9 6 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.4787 -5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3279 -5.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0029 -5.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0617 -6.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0396 -7.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5557 -6.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1589 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8008 -5.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1673 -4.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6327 -5.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n10\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.5704 -6.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0229 -7.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0468 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2626 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4354 -7.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7455 -6.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6855 -7.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7071 -7.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1753 -5.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0646 -7.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 1 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n9\n\n$$$$\nBicyclo[5-2-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.3634 -6.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5495 -7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5102 -6.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2905 -6.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0719 -5.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2732 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9866 -6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6733 -7.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5735 -7.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5254 -5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 1 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 3 1 0 0 0\n 4 10 1 0 0 0\n 3 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nBicyclo[3-3-3]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.9074 -6.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8681 -5.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8403 -6.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1527 -6.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4592 -6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0797 -7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8576 -7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5146 -7.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4171 -7.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3203 -6.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7496 -5.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 3 6 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 4 10 1 0 0 0\n 10 7 1 0 0 0\n 11 5 1 0 0 0\n 11 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n3\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.6205 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4403 -6.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1378 -5.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0284 -5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2020 -5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5071 -6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5718 -6.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0916 -5.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2122 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1122 -5.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5429 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\n 11 6 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.3641 -7.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6057 -7.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3457 -7.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0778 -6.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1454 -6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4502 -7.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2932 -7.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1606 -7.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1660 -5.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0543 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5281 -6.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\n 11 6 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.7033 -5.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5086 -5.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2474 -5.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3085 -7.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2474 -7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7831 -6.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3333 -6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9996 -5.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4180 -4.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7872 -5.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9628 -5.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 11 3 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.5890 -6.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0222 -6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0821 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3408 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5198 -6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8056 -6.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6729 -6.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7305 -6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4155 -4.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0302 -6.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7926 -5.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 11 1 1 0 0 0\n 11 9 1 0 0 0\n 1 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.3728 -6.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5265 -6.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7360 -7.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7807 -7.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6269 -7.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4231 -6.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6410 -5.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3196 -6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5235 -7.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6773 -7.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2693 -6.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.9403 -6.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8374 -6.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0510 -7.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1162 -7.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9789 -7.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7711 -6.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9934 -5.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5477 -6.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9126 -7.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0498 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8001 -6.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 8.3680 -5.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7511 -6.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9725 -6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5503 -6.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4446 -5.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2291 -5.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4595 -4.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0708 -5.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4489 -5.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5546 -6.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2957 -5.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[5-3-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.4699 -5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9044 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8921 -6.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7678 -6.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5569 -5.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3072 -5.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4607 -5.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1456 -5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8448 -6.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7887 -6.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7825 -4.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 1 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 4 1 0 0 0\n 5 11 1 0 0 0\n 4 11 1 0 0 0\n 2 1 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.9693 -5.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0472 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2754 -6.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4140 -6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3360 -6.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1138 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1109 -4.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1806 -5.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4028 -6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4808 -6.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0361 -5.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3405 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 6.8935 -6.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6766 -5.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9121 -6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0877 -6.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0396 -6.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8103 -5.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8078 -4.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7709 -5.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1734 -6.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2215 -6.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9457 -6.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0429 -5.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 6.5042 -6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8305 -7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0721 -7.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7035 -7.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6802 -6.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4449 -6.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4449 -4.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4564 -6.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8695 -6.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8927 -6.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6100 -6.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6889 -5.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[5-3-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.9640 -5.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3691 -6.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4082 -6.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3295 -6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0216 -5.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8969 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1103 -5.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8309 -6.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5145 -6.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4035 -6.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0255 -4.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3287 -5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 1 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 4 1 0 0 0\n 2 1 1 0 0 0\n 11 5 1 0 0 0\n 12 4 1 0 0 0\n 11 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[5-4-1]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.7173 -5.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8210 -5.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0428 -6.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1495 -6.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0457 -5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8297 -5.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5976 -4.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7781 -5.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4790 -5.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1712 -6.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0905 -6.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0605 -4.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 6 12 1 0 0 0\n 5 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n7\n\n$$$$\nBicyclo[5-3-3]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 8.4981 -5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2280 -4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0887 -4.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2012 -4.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4418 -5.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8730 -6.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7468 -5.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9461 -5.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4646 -4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5590 -4.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1539 -5.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8112 -6.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5669 -6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 4 3 1 0 0 0\n 2 4 1 0 0 0\n 5 6 1 0 0 0\n 7 1 1 0 0 0\n 8 7 1 0 0 0\n 8 6 1 0 0 0\n 1 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 5 1 0 0 0\n 3 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n10\n\n> <bondid>\n9\n\n$$$$\nBicyclo[5-4-2]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 7.4687 -5.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5107 -5.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7478 -6.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9306 -6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8885 -6.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6576 -5.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4784 -5.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7402 -5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4893 -5.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1604 -6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0052 -6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6549 -4.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8882 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 12 6 1 0 0 0\n 13 5 1 0 0 0\n 13 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n7\n\n$$$$\nBicyclo[5-5-1]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 7.5850 -5.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5169 -6.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6632 -7.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8369 -7.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7693 -6.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5517 -6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3258 -5.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5160 -5.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2226 -6.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9123 -6.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8227 -7.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7845 -5.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0774 -6.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 6 12 1 0 0 0\n 5 12 1 0 0 0\n 13 3 1 0 0 0\n 13 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n6\n\n$$$$\nAdamantane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 7.5634 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4530 -6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4530 -5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9968 -4.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1070 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1070 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9968 -6.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8866 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3428 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8866 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 4 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 2 9 1 0 0 0\n 1 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 5 6 1 0 0 0\n 8 10 1 0 0 0\n 2 3 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nCubane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 12 0 0 0 999 V2000\n 7.9520 -5.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6899 -4.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6650 -6.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9597 -6.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9872 -5.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2488 -5.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4012 -5.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6964 -6.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 3 1 1 0 0 0\n 1 6 1 0 0 0\n 2 5 1 0 0 0\n 7 2 1 0 0 0\n 3 4 1 0 0 0\n 7 3 1 0 0 0\n 4 6 1 0 0 0\n 8 4 1 0 0 0\n 5 6 1 0 0 0\n 8 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n7\n\n> <bondid>\n11\n\n$$$$\nPrismane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 9 0 0 0 999 V2000\n 7.7612 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0907 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1698 -4.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1678 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0887 -5.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7593 -5.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 3 1 1 0 0 0\n 3 2 1 0 0 0\n 4 5 1 0 0 0\n 4 6 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 3 4 1 0 0 0\n 2 5 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n3\n\n> <bondid>\n7\n\n$$$$\nTwistane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 10.9227 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6642 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5688 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8274 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7871 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5284 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6238 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8825 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7835 -5.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6165 -5.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 4 1 0 0 0\n 3 4 1 0 0 0\n 5 6 1 0 0 0\n 7 5 1 0 0 0\n 8 7 1 0 0 0\n 9 3 1 0 0 0\n 9 6 1 0 0 0\n 10 1 1 0 0 0\n 10 8 1 0 0 0\n 1 6 1 0 0 0\n 3 8 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\n12-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n 9.6950 -4.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6961 -3.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7230 -3.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4895 -2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4888 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2724 -3.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3039 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3039 -5.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2718 -5.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4935 -6.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4934 -6.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7126 -5.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 1 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n13-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 0 0 999 V2000\n 6.2108 -5.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2098 -4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1789 -6.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1735 -4.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3479 -7.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3527 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3428 -7.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3459 -3.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7617 -6.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7571 -4.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7493 -6.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7528 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2902 -5.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 13 1 0 0 0\n 1 2 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n14-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 11.4453 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9013 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9150 -5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9132 -4.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9274 -5.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5059 -3.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5286 -6.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4978 -3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5308 -6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1114 -4.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1336 -5.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1388 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1473 -5.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6047 -5.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n15-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 15 0 0 0 999 V2000\n 9.3051 -3.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1168 -4.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4997 -4.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8472 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6861 -3.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6483 -5.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8859 -4.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3419 -6.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1594 -5.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3292 -6.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3517 -5.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0217 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6728 -6.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0073 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6647 -6.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 15 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n16-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 16 0 0 0 999 V2000\n 10.1579 -7.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3604 -8.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8558 -7.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5517 -7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6502 -6.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7522 -8.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4079 -5.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9519 -7.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3921 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2224 -7.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3715 -4.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3998 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4688 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5949 -5.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5786 -4.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5857 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 16 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n17-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 0 0 999 V2000\n 11.0779 -6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1260 -6.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2569 -7.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4815 -7.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7011 -7.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8165 -7.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8151 -6.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8549 -6.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6443 -5.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4333 -4.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3911 -5.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9204 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9543 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4969 -5.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4504 -4.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2557 -5.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1487 -7.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 7 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 10 11 1 0 0 0\n 15 16 1 0 0 0\n 14 15 1 0 0 0\n 16 1 1 0 0 0\n 2 17 1 0 0 0\n 17 3 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n18-Crown-6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 12.0989 -6.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0984 -7.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1742 -7.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2561 -8.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3671 -9.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5542 -8.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7470 -9.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8655 -8.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9673 -7.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0511 -7.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0591 -6.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9807 -6.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8891 -5.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7538 -4.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5585 -5.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3625 -4.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2539 -5.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1740 -6.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 15 16 1 0 0 0\n 1 18 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n20-Crown-6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 20 0 0 0 999 V2000\n 12.9696 -6.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4562 -7.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4568 -5.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4567 -7.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4506 -5.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2686 -8.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2545 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3166 -8.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3019 -4.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5590 -8.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5486 -5.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7892 -4.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8656 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8443 -4.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6577 -7.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6557 -5.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6451 -7.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6382 -5.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1304 -6.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8033 -8.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 11 12 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 18 19 1 0 0 0\n 12 14 1 0 0 0\n 13 20 1 0 0 0\n 10 20 1 0 0 0\n 3 1 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n21-Crown-7\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 21 21 0 0 0 999 V2000\n 9.2476 -4.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3448 -4.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3272 -5.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3374 -5.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0975 -6.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8706 -7.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4253 -8.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0491 -8.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0215 -8.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4631 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4605 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8988 -8.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8812 -8.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5114 -8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7121 -4.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8084 -4.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0256 -4.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1044 -7.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7139 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9025 -6.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6937 -5.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 11 12 1 0 0 0\n 15 16 1 0 0 0\n 16 17 1 0 0 0\n 1 17 1 0 0 0\n 14 18 1 0 0 0\n 19 15 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 21 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n24-Crown-8\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 24 24 0 0 0 999 V2000\n 9.0714 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5688 -8.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0589 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5317 -9.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5767 -8.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2612 -8.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6218 -8.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9970 -7.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9000 -8.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8824 -6.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1947 -7.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8855 -5.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3145 -6.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0044 -5.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3384 -5.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2885 -4.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2280 -5.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5636 -3.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9695 -4.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6083 -4.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7013 -3.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1273 -3.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6397 -4.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1264 -3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 24 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n27-Crown-9\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 27 27 0 0 0 999 V2000\n 12.8715 -5.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4227 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3172 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2176 -6.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3116 -4.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0558 -7.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0873 -3.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1143 -8.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2476 -9.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3689 -4.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6009 -3.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1290 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5183 -9.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6486 -3.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9884 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4426 -9.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4301 -4.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9807 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4253 -4.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4473 -9.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8996 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5287 -9.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3912 -6.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7155 -9.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6324 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8191 -8.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8489 -7.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 8 9 1 0 0 0\n 10 11 1 0 0 0\n 10 12 1 0 0 0\n 11 14 1 0 0 0\n 13 15 1 0 0 0\n 13 16 1 0 0 0\n 14 17 1 0 0 0\n 15 18 1 0 0 0\n 17 19 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 25 1 0 0 0\n 24 26 1 0 0 0\n 26 27 1 0 0 0\n 12 7 1 0 0 0\n 9 16 1 0 0 0\n 27 25 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n30-Crown-10\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 30 30 0 0 0 999 V2000\n 10.5968 -3.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5443 -3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8344 -4.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7938 -4.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1029 -3.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7946 -4.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1487 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4230 -5.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8987 -4.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0643 -6.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9078 -4.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9365 -6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3013 -5.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9385 -7.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6787 -6.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0639 -8.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8115 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4322 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8115 -7.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8108 -10.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6722 -8.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8119 -9.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2940 -9.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5637 -10.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8989 -9.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5955 -11.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9003 -9.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1417 -10.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0967 -11.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8494 -10.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 4 6 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 25 1 0 0 0\n 24 26 1 0 0 0\n 27 28 1 0 0 0\n 29 30 1 0 0 0\n 5 7 1 0 0 0\n 18 20 1 0 0 0\n 25 27 1 0 0 0\n 28 29 1 0 0 0\n 26 30 1 0 0 0\n 15 13 1 0 0 0\n 5 3 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nALA-D-Alanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 5 0 1 0 999 V2000\n 13.6701 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6701 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8003 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5335 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5335 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3999 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 1 0 0\n 2 4 1 0 0 0\n 4 5 2 0 0 0\n 4 6 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nARG-D-Arginine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 7 9 2 0 0 0\n 10 11 2 0 0 0\n 10 12 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nASN-D-Asparagine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nASP-D-Aspartic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nCYS-D-Cysteine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nGLN-D-Glutamine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLU-D-Glutamic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLY-Glycine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nHIS-D-Histidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 9 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nILE-D-Isoleucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 6 0 0\n 3 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLEU-D-Leucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLYS-D-Lysine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 1 0 0\n 6 8 1 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nMET-D-Methionine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPHE-D-Phenylalanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 12.5510 -6.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1490 -6.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 6 1 0 0 0\n 3 4 2 0 0 0\n 3 5 1 0 0 0\n 6 7 1 0 0 0\n 6 11 2 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nPRO-D-Proline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 3 2 1 1 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 3 7 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nSER-D-Serine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nTHR-D-Threonine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 1 0 0\n 2 4 1 0 0 0\n 4 5 1 1 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nTRP-D-Tryptophan\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 16 0 1 0 999 V2000\n 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 13 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 7 12 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 13 14 2 0 0 0\n 13 15 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n15\n\n$$$$\nTYR-D-Tyrosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 1 0 999 V2000\n 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 11 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 10 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 7 9 1 0 0 0\n 9 10 2 0 0 0\n 11 12 2 0 0 0\n 11 13 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n8\n\n$$$$\nVAL-D-Valine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 1 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nD-Allose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.4194 -1.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9924 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4387 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0204 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4629 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0221 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4407 1.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1127 2.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2718 1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2093 0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2702 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1849 -0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 1 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Altrose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.4516 -1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0245 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0525 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4950 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0501 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4729 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1448 3.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3040 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2414 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3024 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2171 -0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Arabinose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.8949 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4593 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8995 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4675 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9005 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4667 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4723 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7192 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6437 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7111 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 1 0 0\n 2 10 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Erythrose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.1906 0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7523 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1844 1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7532 1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1786 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 3.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0034 1.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9299 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 4 7 1 6 0 0\n 3 8 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Erythrulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.1896 2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7907 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2449 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8481 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7539 2.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0537 1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9812 0.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3557 -0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 1 5 1 0 0 0\n 2 6 2 0 0 0\n 3 7 1 1 0 0\n 8 4 1 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n4\n\n> <bondid>\n3\n\n$$$$\nD-Fructose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.1480 1.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5728 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1297 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5540 0.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1105 -0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5532 -1.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1339 -1.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5796 2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3170 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3814 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2979 0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3622 -0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 1 0 0\n 5 12 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Galactose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.8880 -0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4609 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9072 0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4890 0.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9315 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4907 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9093 2.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5812 3.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7403 2.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6779 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7387 0.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6535 0.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 6 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Glucose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.5186 -1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9457 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4995 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9178 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4754 1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9163 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4978 2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8217 3.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6624 1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7249 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6639 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7491 -0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Gulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.3047 -1.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8775 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3239 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9056 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3481 1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9073 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3260 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9978 3.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1570 1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0945 1.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1554 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0702 0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Idose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.7380 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3109 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7572 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3390 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7815 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3407 1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7593 2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4312 3.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5903 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5279 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5887 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5035 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Lyxose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.9033 0.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3348 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8987 1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3307 2.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8977 2.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3273 3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3259 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0749 2.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1504 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0829 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 6 0 0\n 3 9 1 1 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Mannose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.9005 -1.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4734 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9197 -0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5015 0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9440 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5032 1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9218 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5937 3.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7528 1.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6904 1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7512 0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6660 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 6 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Psicose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.1455 2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7122 2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1459 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7164 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1511 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6999 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1099 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7230 3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9598 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8942 1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9639 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8992 0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 6 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Ribose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.4471 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8828 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4426 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8747 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4417 2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8713 2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8696 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6188 1.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6943 1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6268 0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 6 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Ribulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.1689 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6004 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1643 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5963 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1633 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5929 2.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4160 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5914 -1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3485 0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3252 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 3 7 1 6 0 0\n 1 8 1 0 0 0\n 2 9 1 1 0 0\n 4 10 2 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Sorbose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.8077 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3743 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8123 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3785 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8133 -0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3620 -0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7721 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3851 3.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6219 1.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5564 1.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6301 0.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5573 -0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 1 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Tagatose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -5.3565 3.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7786 2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3570 1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7842 0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3640 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7622 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3090 -1.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7930 4.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7752 2.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3552 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7806 0.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3619 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 6 0 0\n 4 11 1 1 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Talose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.0547 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6275 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0739 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6556 1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0981 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6573 2.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0760 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7478 3.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9070 2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8445 1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9054 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8202 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 6 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Threose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.7339 0.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3006 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7343 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3045 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7353 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3079 3.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5548 2.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4800 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 4 7 1 1 0 0\n 3 8 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Xylose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.7801 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2157 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7755 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2075 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7745 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2083 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2027 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9517 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0272 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9597 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 1 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Xylulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -2.9398 -0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3754 0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9352 0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3672 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9342 2.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3638 2.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1827 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3623 -0.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1235 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1002 1.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 3 7 1 1 0 0\n 1 8 1 0 0 0\n 2 9 1 1 0 0\n 4 10 2 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\n1_2_3-Oxadiazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nDioxane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nFuran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nImidazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nIndole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 6.3344 -5.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0524 -7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 9 2 0 0 0\n 7 8 1 0 0 0\n 2 9 1 0 0 0\n 4 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n6\n\n> <bondid>\n6\n\n$$$$\nIsoquinoline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3584 -6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0717 -6.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 2 4 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 7 2 0 0 0\n 9 10 2 0 0 0\n 10 8 1 0 0 0\n 4 9 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n8\n\n> <bondid>\n0\n\n$$$$\nIsoxazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nMorpholine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n1\n\n$$$$\nOxazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nPiperazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n1\n\n$$$$\nPiperidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 3.0000 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7160 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4320 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4320 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7160 -9.0964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPurine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 6.3344 -5.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0524 -7.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -5.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 9 2 0 0 0\n 7 8 1 0 0 0\n 2 9 1 0 0 0\n 4 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n6\n\n> <bondid>\n7\n\n$$$$\nPyran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nPyrazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n2\n\n$$$$\nPyrazol\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyridazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyridine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n3\n\n> <bondid>\n1\n\n$$$$\nPyridone\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -4.5982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 2 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n5\n\n$$$$\nPyrimidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nPyrole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.6685 -10.0843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2553 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0817 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3370 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n$$$$\nPyrone\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 2 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n4\n\n$$$$\nPyrrolidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n2\n\n$$$$\nQuinoline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3584 -6.9529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0717 -6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 2 4 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 7 2 0 0 0\n 9 10 2 0 0 0\n 10 8 1 0 0 0\n 4 9 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n9\n\n> <bondid>\n8\n\n$$$$\nTetrahydrofuran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n2\n\n$$$$\nTetrahydrothiophene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n2\n\n$$$$\nTetrazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nThiophene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n3\n\n$$$$\nTriazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n3\n\n> <bondid>\n1\n\n$$$$\nTriazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nALA-L-Alanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 5 0 1 0 999 V2000\n 13.6700 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6700 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8002 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5334 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5334 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3998 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 6 0 0\n 2 4 1 0 0 0\n 4 5 2 0 0 0\n 4 6 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nARG-L-Arginine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 7 9 2 0 0 0\n 10 11 2 0 0 0\n 10 12 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nASN-L-Asparagine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nASP-L-Aspartic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nCYS-L-Cysteine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nGLN-L-Glutamine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLU-L-Glutamic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLY-Glycine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nHIS-L-Histidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 9 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nILE-L-Isoleucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 1 0 0\n 3 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLEU-L-Leucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLYS-L-Lysine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 6 0 0\n 6 8 1 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nMET-L-Methionine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPHE-L-Phenylalanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 12.5510 -6.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1490 -6.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5510 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4169 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2830 -8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 6 1 0 0 0\n 3 4 2 0 0 0\n 3 5 1 0 0 0\n 6 7 1 0 0 0\n 6 11 2 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPRO-L-Proline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 3 2 1 6 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 3 7 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nSER-L-Serine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nTHR-L-Threonine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 6 0 0\n 2 4 1 0 0 0\n 4 5 1 6 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nTRP-L-Tryptophan\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 16 0 1 0 999 V2000\n 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 13 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 7 12 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 13 14 2 0 0 0\n 13 15 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n15\n\n$$$$\nTYR-L-Tyrosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 1 0 999 V2000\n 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 11 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 10 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 7 9 1 0 0 0\n 9 10 2 0 0 0\n 11 12 2 0 0 0\n 11 13 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n8\n\n$$$$\nVAL-L-Valine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 6 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nAdenine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 3.4903 -2.0759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 -1.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9070 -2.2584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4956 -0.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8834 -0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6333 -1.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6333 -0.9769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8834 0.2478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 5 8 2 0 0 0\n 7 9 2 0 0 0\n 7 10 1 0 0 0\n 4 6 1 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nCytosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 3.7084 -1.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4211 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4211 -0.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1335 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7050 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7050 0.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 2 0 0 0\n 7 8 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nGuanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 3.4897 0.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9066 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5004 1.7668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6377 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6377 1.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 2.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3288 0.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 5 8 2 0 0 0\n 7 9 1 0 0 0\n 7 10 2 0 0 0\n 4 6 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nThymine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 9 0 0 0 999 V2000\n 2.4396 -1.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1523 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7188 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1523 -0.3502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8646 -1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7189 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4364 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4364 0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0104 0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nUracil\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 3.7124 -0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4252 -0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4252 0.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1458 -0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7092 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7092 1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nRibose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 1 0 999 V2000\n 3.6483 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6483 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6030 -2.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -2.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7706 -2.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -3.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6483 -3.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 1 0 0\n 5 6 1 1 0 0\n 2 6 1 1 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 9 1 0 0 0\n 5 10 1 0 0 0\n 4 11 1 0 0 0\n 11 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n11\n\n$$$$\nDeoxyribose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 6 1 0 0 0\n 6 5 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 2 3 1 0 0 0\n 2 1 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 5 9 1 0 0 0\n 4 10 1 0 0 0\n 4 11 1 0 0 0\n 3 12 1 0 0 0\n 3 13 1 0 0 0\n 2 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nRibose monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 1 0 999 V2000\n 14.4831 -3.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4831 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4073 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -4.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -4.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -4.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -6.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4831 -5.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2261 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -4.3001 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4739 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -3.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -5.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 1 0 0\n 5 6 1 1 0 0\n 2 6 1 1 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 9 1 0 0 0\n 5 10 1 0 0 0\n 4 11 1 0 0 0\n 4 12 1 0 0 0\n 2 13 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 15 18 1 0 0 0\n 11 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n14\n\n$$$$\nDeoxyribose monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -4.5909 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7798 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -3.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -5.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 6 1 0 0 0\n 6 5 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 2 3 1 0 0 0\n 2 1 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 9 11 2 0 0 0\n 9 12 1 0 0 0\n 5 13 1 0 0 0\n 4 14 1 0 0 0\n 4 15 1 0 0 0\n 3 16 1 0 0 0\n 3 17 1 0 0 0\n 2 18 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n9\n\n$$$$\nAdenosine monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 23 25 0 1 0 999 V2000\n 13.0195 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6070 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4320 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6869 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6070 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6869 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9127 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9127 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4838 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7568 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4838 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2376 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4320 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n22\n\n> <bondid>\n24\n\n$$$$\nAdenosine diphosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 27 29 0 1 0 999 V2000\n 11.2820 -9.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8695 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6945 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9494 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8695 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 -9.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9494 -9.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -7.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1752 -8.0265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1752 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -9.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7463 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0193 -7.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7463 -8.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5001 -8.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -6.7889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6945 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\n 23 24 1 0 0 0\n 24 25 2 0 0 0\n 24 26 1 0 0 0\n 24 27 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n26\n\n> <bondid>\n28\n\n$$$$\nAdenosine triphosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 31 33 0 1 0 999 V2000\n 14.6695 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0020 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2570 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0820 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3369 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2570 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0020 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3369 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5627 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5627 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1338 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4068 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1338 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8876 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0820 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\n 23 24 1 0 0 0\n 24 25 2 0 0 0\n 24 26 1 0 0 0\n 24 27 1 0 0 0\n 27 28 1 0 0 0\n 28 29 2 0 0 0\n 28 30 1 0 0 0\n 28 31 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n30\n\n> <bondid>\n32\n\n$$$$\nBenzene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 0.6548 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0813 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3694 2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0813 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6548 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3712 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nBoat\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 5.8944 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4777 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4166 3.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9277 3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2722 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0277 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n3\n\n> <bondid>\n2\n\n$$$$\nChair\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 8.5333 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1166 6.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9111 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2555 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0277 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6166 6.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair1\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.9944 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7388 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2777 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4055 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5333 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1166 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair2\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 10.4055 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6611 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1222 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9944 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8666 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2833 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair3\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 5.0777 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2000 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8222 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3611 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3277 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2388 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6166 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8666 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2000 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3611 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7777 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8222 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4055 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6166 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7 15 1 0 0 0\n 15 13 1 0 0 0\n 13 8 1 0 0 0\n 8 18 1 0 0 0\n 18 12 1 0 0 0\n 12 7 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\n 12 3 1 0 0 0\n 15 4 1 0 0 0\n 5 13 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 13 14 1 0 0 0\n 15 16 1 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nChair4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 10.4888 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3666 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7444 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2055 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2388 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3277 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7000 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3666 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2055 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7888 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7444 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1611 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7 15 1 0 0 0\n 15 13 1 0 0 0\n 13 8 1 0 0 0\n 8 18 1 0 0 0\n 18 12 1 0 0 0\n 12 7 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\n 12 3 1 0 0 0\n 15 4 1 0 0 0\n 5 13 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 13 14 1 0 0 0\n 15 16 1 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nCyclopentadiene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.8091 8.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6181 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 5 1 0 0 0\n 2 3 2 0 0 0\n 3 1 1 0 0 0\n 4 2 1 0 0 0\n 5 4 2 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nCyclopentadiene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 14.3500 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2160 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2160 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4840 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4840 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing3\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 3 3 0 0 0 999 V2000\n 2.6123 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6098 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1111 2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 4 4 0 0 0 999 V2000\n 3.4956 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4919 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4846 1.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4821 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 4 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.3632 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3649 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0647 2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6686 2.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8751 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 5 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 2.2500 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1160 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1160 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3840 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3840 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 2.5500 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5500 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4160 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2820 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2820 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4160 4.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing7\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 21.4111 6.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1938 6.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1653 6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5987 5.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4166 5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1660 4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1938 4.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 6 1 0 0 0\n 1 5 1 0 0 0\n 5 7 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing8\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 2.9268 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9270 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6288 3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6290 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6266 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3286 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3285 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6266 3.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing9\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 9 0 0 0 999 V2000\n 2.7667 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5972 3.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0962 4.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5313 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2993 2.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4693 3.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0364 4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9746 4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 8 3 1 0 0 0\n 8 9 1 0 0 0\n 9 7 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing10\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 0 0 999 V2000\n 3.5215 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3132 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3132 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0493 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7854 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7854 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5215 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2575 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2575 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0493 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 9 1 0 0 0\n 3 10 1 0 0 0\n 10 6 1 0 0 0\n 5 4 1 0 0 0\n 4 2 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 2 3 1 0 0 0\n 9 1 1 0 0 0\n 1 5 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing11\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 0 0 999 V2000\n 3.7115 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6673 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8179 1.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7664 2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8179 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6382 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6721 4.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4599 3.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5335 3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4840 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 1 1 0 0 0\n 4 5 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing12\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n 3.7276 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7247 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9441 2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9082 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9040 3.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9232 3.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6929 4.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6906 4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4660 3.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5063 3.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5162 2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4980 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing13\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 0 0 999 V2000\n 3.2666 4.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4574 4.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9755 4.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7213 3.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0441 3.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6650 3.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0441 2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7099 2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9763 2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6652 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0491 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6845 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9051 1.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 13 1 0 0 0\n 1 2 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n12\n\n$$$$\nRing14\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 6.8995 3.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3539 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3678 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3685 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3883 2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9655 4.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9885 1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9602 4.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9932 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5727 3.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5892 2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5971 4.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6111 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0671 3.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing15\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 15 0 0 0 999 V2000\n 6.3839 2.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0478 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0286 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6750 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6672 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3752 1.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3912 2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1293 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9384 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6710 4.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4746 5.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2796 4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1008 5.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9121 4.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5968 3.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 1 15 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing16\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 16 0 0 0 999 V2000\n 5.3307 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4647 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0006 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0006 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7326 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5987 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7326 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5987 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4647 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3307 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1967 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1967 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3307 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 3 1 0 0 0\n 3 1 1 0 0 0\n 1 13 1 0 0 0\n 10 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 2 1 0 0 0\n 2 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 12 11 1 0 0 0\n 11 10 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 16 12 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nRing18\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 6.7675 4.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7675 3.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8338 2.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9136 1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0241 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2362 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4295 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5501 1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6379 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7034 3.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7024 4.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6366 4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5561 5.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4362 5.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2239 5.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0336 5.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9184 5.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8307 4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 15 16 1 0 0 0\n 1 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing20\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 20 0 0 0 999 V2000\n 5.1641 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4320 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0301 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0301 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4320 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8339 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8339 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6999 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 7 1 1 0 0 0\n 1 6 1 0 0 0\n 6 5 1 0 0 0\n 10 8 1 0 0 0\n 8 9 1 0 0 0\n 9 7 1 0 0 0\n 12 11 1 0 0 0\n 11 10 1 0 0 0\n 20 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 12 1 0 0 0\n 2 16 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 18 19 1 0 0 0\n 19 20 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n13\n\n> <bondid>\n13\n\n$$$$\nRing21\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 21 21 0 0 0 999 V2000\n 13.0927 4.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7000 5.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7000 4.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4537 6.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4631 7.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5095 7.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5428 7.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5875 7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6370 7.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6419 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6614 3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6675 2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6235 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5583 2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5110 2.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4619 2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4601 3.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4049 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4047 4.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4478 4.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4480 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 11 1 0 0 0\n 17 19 1 0 0 0\n 18 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 16 17 1 0 0 0\n 19 20 1 0 0 0\n 20 1 1 0 0 0\n 1 21 1 0 0 0\n 21 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -4.1124 6.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6076 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5974 5.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4025 4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5974 6.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3373 4.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9974 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2076 5.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7775 5.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6076 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1476 3.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4025 4.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1124 5.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7577 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7775 4.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9974 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8224 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 8 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 17 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.8433 4.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3385 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.3283 3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1334 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.3283 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -8.0682 2.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7283 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9384 3.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5084 3.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3385 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8784 2.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1334 2.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8433 3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4886 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5084 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7283 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5532 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 8 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 17 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.4899 2.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9851 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9748 1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7800 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9748 2.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7148 1.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3749 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.1998 0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1550 1.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9851 -0.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5250 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7800 0.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4899 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1352 0.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1550 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3749 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5850 1.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -7.7107 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2094 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.1903 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0088 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.1903 -0.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8273 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5674 -3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -8.3831 -2.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3908 -1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2094 -3.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7680 -2.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0088 -2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7107 -1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3937 -2.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3908 -1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5674 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.8923 -1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -5.8152 3.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2901 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2952 2.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1052 2.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2952 3.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9101 2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6702 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5202 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4801 2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2901 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8551 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1052 1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8152 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4651 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4801 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6702 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0302 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.0079 2.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4782 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4929 1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2981 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4929 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1031 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8630 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.6879 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6731 1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4782 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0431 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2981 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0079 1.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6533 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6731 0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8630 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.2329 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -5.5581 1.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0527 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0375 0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8565 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0375 1.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7441 0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4199 -1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2352 0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2339 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0527 -1.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6161 -0.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8565 -0.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5581 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2325 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2339 0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4199 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6705 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.3613 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8363 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8414 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6514 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8414 0.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5764 -1.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2164 -2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0414 -1.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0263 -0.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8363 -2.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4013 -2.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6514 -1.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3613 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0113 -1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0263 -1.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2164 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4562 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nfullerene C60\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 60 90 0 0 0 999 V2000\n 8.1533 -10.1609 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5120 -9.2753 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7211 -9.6737 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4284 -7.8924 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6441 -6.9280 1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8106 -9.6782 2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0295 -8.7030 3.0509 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9469 -7.3351 2.7388 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6766 -11.1024 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1155 -11.5835 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9755 -10.1416 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8475 -11.1110 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6349 -10.8139 1.9708 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1564 -11.7548 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9409 -11.4548 2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6874 -10.9874 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0739 -8.9381 -2.1897 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7682 -9.8885 -1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6696 -9.0654 -2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0644 -10.9756 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3595 -11.3790 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7598 -9.2142 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0558 -9.6210 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3611 -10.6974 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4123 -6.6547 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8008 -6.5277 -1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8430 -7.9304 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6373 -7.6755 -1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6791 -7.8462 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0147 -5.5656 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0674 -5.7391 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8951 -6.8726 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9892 -7.4108 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5523 -6.1489 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6396 -8.3057 -1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7701 -5.7695 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7608 -5.0959 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3383 -5.8515 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3403 -5.1700 1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5444 -4.7952 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5476 -6.3919 2.2132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8535 -5.4411 1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5858 -4.9664 1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9810 -6.8781 3.4234 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7114 -9.1401 2.8425 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2717 -8.6582 1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1904 -7.2758 1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0632 -8.2456 3.7369 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2924 -9.8955 4.0975 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9320 -10.7811 3.2133 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1480 -10.4012 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8614 -8.6206 4.3621 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6340 -7.6127 4.2389 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0720 -8.8741 3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9055 -10.0226 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0361 -7.4850 4.4331 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0254 -5.4466 3.0771 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6379 -5.5719 2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9380 -6.6611 3.4734 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7278 -6.4079 3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 12 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 6 1 0 0 0 0\n 3 11 2 0 0 0 0\n 3 35 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 33 1 0 0 0 0\n 5 8 1 0 0 0 0\n 5 38 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 13 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 54 1 0 0 0 0\n 8 59 2 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 9 20 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 14 1 0 0 0 0\n 11 19 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 16 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 21 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 50 1 0 0 0 0\n 16 55 2 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 2 0 0 0 0\n 17 28 1 0 0 0 0\n 18 20 2 0 0 0 0\n 18 22 1 0 0 0 0\n 19 27 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 24 2 0 0 0 0\n 22 23 2 0 0 0 0\n 22 29 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 46 1 0 0 0 0\n 24 51 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 2 0 0 0 0\n 25 36 1 0 0 0 0\n 26 28 2 0 0 0 0\n 26 30 1 0 0 0 0\n 27 35 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 32 2 0 0 0 0\n 30 31 2 0 0 0 0\n 30 37 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 42 1 0 0 0 0\n 32 47 1 0 0 0 0\n 33 34 1 0 0 0 0\n 33 35 2 0 0 0 0\n 34 36 2 0 0 0 0\n 34 38 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 40 2 0 0 0 0\n 38 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 39 58 1 0 0 0 0\n 40 43 1 0 0 0 0\n 41 42 1 0 0 0 0\n 41 44 2 0 0 0 0\n 41 47 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 57 1 0 0 0 0\n 44 48 1 0 0 0 0\n 44 60 1 0 0 0 0\n 45 46 1 0 0 0 0\n 45 48 2 0 0 0 0\n 45 51 1 0 0 0 0\n 46 47 2 0 0 0 0\n 48 52 1 0 0 0 0\n 49 50 1 0 0 0 0\n 49 52 2 0 0 0 0\n 49 55 1 0 0 0 0\n 50 51 2 0 0 0 0\n 52 56 1 0 0 0 0\n 53 54 2 0 0 0 0\n 53 56 1 0 0 0 0\n 53 59 1 0 0 0 0\n 54 55 1 0 0 0 0\n 56 60 2 0 0 0 0\n 57 58 2 0 0 0 0\n 57 60 1 0 0 0 0\n 58 59 1 0 0 0 0\nM END\n> <group>\n3D Templates\n\n> <atomid>\n18\n\n> <bondid>\n34\n\n$$$$\nadamantane\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 15.2172 -8.1314 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4398 -7.4133 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2919 -8.3429 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9004 -9.6792 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6785 -10.3958 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8276 -9.4680 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8081 -9.1570 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0325 -8.4390 -1.8401 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4215 -7.1042 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8828 -9.3683 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 4 10 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 9 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 10 1 0 0 0 0\n 2 3 1 0 0 0 0\nM END\n> <group>\n3D Templates\n\n> <atomid>\n1\n\n> <bondid>\n0\n$$$$\ncubane\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 8 12 0 0 0 999 V2000\n 10.5569 -9.9029 4.2925 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2017 -9.5628 4.9812 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5825 -8.4868 3.6463 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3483 -7.9339 4.8851 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9705 -9.0155 6.2193 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3256 -9.3519 5.5298 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2296 -8.1444 4.3386 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9966 -7.5972 5.5784 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 1 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 5 1 0 0 0 0\n 7 2 1 0 0 0 0\n 3 4 1 0 0 0 0\n 7 3 1 0 0 0 0\n 4 6 1 0 0 0 0\n 8 4 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 5 1 0 0 0 0\n 8 7 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n$$$$\nring 6 boat\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 11.2934 -7.8385 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2480 -6.3919 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1209 -8.2282 2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5795 -10.2283 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2777 -9.8706 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5448 -7.5081 -2.7767 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7930 -7.7993 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8567 -7.8369 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7961 -6.3928 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0357 -7.4556 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7535 -9.8351 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0584 -10.2582 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6187 -8.3063 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6881 -8.3653 -1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2260 -8.3597 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9985 -8.7537 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5364 -8.7481 1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3614 -7.8158 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 7 1 0 0 0 0\n 3 16 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 14 1 0 0 0 0\n 6 14 1 0 0 0 0\n 7 14 1 0 0 0 0\n 7 16 1 0 0 0 0\n 8 18 1 0 0 0 0\n 9 18 1 0 0 0 0\n 10 15 1 0 0 0 0\n 11 15 1 0 0 0 0\n 12 17 1 0 0 0 0\n 13 17 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 18 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 7 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n17\n\n> <group>\n3D Templates\n\n$$$$\nring 6 chair\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 6.4738 -5.6532 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4541 -4.2314 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2774 -5.9986 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7022 -8.0409 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4210 -7.7512 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7429 -5.4159 -2.7877 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0262 -7.2017 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0549 -8.6186 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6856 -6.5861 1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7917 -7.4939 2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0968 -5.1271 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1503 -6.5687 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3966 -6.2651 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5752 -7.1963 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8371 -4.7668 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2658 -6.7684 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8611 -6.2475 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9719 -5.6379 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 18 1 0 0 0 0\n 3 12 1 0 0 0 0\n 4 12 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 17 1 0 0 0 0\n 7 14 1 0 0 0 0\n 8 14 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 9 12 1 0 0 0 0\n 9 14 1 0 0 0 0\n 12 18 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 13 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n17\n\n> <group>\n3D Templates\n\n$$$$\nFerrocene\n Ketcher 3312515452D 1 1.00000 0.00000 0\n\n 21 20 0 0 0 0 0 0 0 0999 V2000\n 18.6460 -4.5375 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9220 -4.9896 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2813 -5.1445 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8946 -4.7843 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6781 -4.4030 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5511 -4.8448 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0373 -4.6186 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1553 -4.6966 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3523 -4.9671 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3644 -5.0597 1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3894 -6.4972 -0.0451 Fe 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7780 -7.9960 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2527 -8.4356 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0892 -8.5470 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8590 -8.1917 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.4537 -7.8147 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2140 -8.1348 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3837 -7.9392 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4235 -8.0292 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6677 -8.2843 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7711 -8.3489 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 8 1 0 0 0\n 2 9 1 0 0 0\n 3 10 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 7 2 0 0 0\n 6 10 1 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\n 7 8 1 0 0 0\n 12 19 1 0 0 0\n 13 20 1 0 0 0\n 14 21 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 18 1 0 0 0\n 17 21 2 0 0 0\n 18 19 1 0 0 0\n 19 20 2 0 0 0\n 20 21 1 0 0 0\nM CHG 3 10 -1 11 2 18 -1\nM END\n> <group>\n3D Templates\n\n$$$$\nbis(benzene)chromium\n Ketcher 3312515482D 1 1.00000 0.00000 0\n\n 25 24 0 0 0 0 0 0 0 0999 V2000\n 15.5943 -4.9414 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1199 -4.8546 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3715 -4.3444 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3737 -5.5242 2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1093 -4.2689 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5048 -5.6195 2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3228 -4.9476 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7835 -4.6451 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7658 -4.6163 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3558 -5.0010 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8970 -5.3030 1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9151 -5.3301 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5592 -8.0714 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1408 -8.0591 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4658 -8.6551 0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2575 -7.4020 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2358 -8.6811 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3511 -7.3583 -2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3303 -7.9895 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8357 -8.3381 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8332 -8.3381 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3340 -7.9895 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8308 -7.6398 -1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8346 -7.6399 -1.4817 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3363 -6.4730 -0.0045 Cr 0 0 0 0 0 0 0 0 0 0 0 0\n 1 10 1 0 0 0\n 2 7 1 0 0 0\n 3 8 1 0 0 0\n 4 11 1 0 0 0\n 5 9 1 0 0 0\n 6 12 1 0 0 0\n 7 9 1 0 0 0\n 7 11 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\n 10 12 2 0 0 0\n 11 12 1 0 0 0\n 13 22 1 0 0 0\n 14 19 1 0 0 0\n 15 20 1 0 0 0\n 16 23 1 0 0 0\n 17 21 1 0 0 0\n 18 24 1 0 0 0\n 19 21 1 0 0 0\n 19 23 2 0 0 0\n 20 22 1 0 0 0\n 22 24 2 0 0 0\n 23 24 1 0 0 0\n 20 21 2 0 0 0\nM END\n> <group>\n3D Templates\n\n$$$$\nDodecaborate\n -INDIGO-03312515463D\n\n 24 42 0 0 0 0 0 0 0 0999 V2000\n 17.3845 -4.9529 0.1441 B 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6799 -5.8037 -0.0875 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9264 -5.9378 1.2637 B 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3808 -5.8743 0.9681 B 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2044 -5.6998 -0.5839 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6262 -5.6620 -1.2317 B 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0061 -7.1448 0.0903 B 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7642 -7.0122 -1.2704 B 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3052 -7.0740 -0.9651 B 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4957 -7.2507 0.5818 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0783 -7.2901 1.2202 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3016 -7.9954 -0.1414 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3987 -4.4551 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1379 -5.5835 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1102 -5.7551 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0634 -5.6737 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8225 -5.4472 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7142 -5.3917 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5621 -7.3671 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5758 -7.1932 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6271 -7.2764 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8685 -7.5003 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9812 -7.5573 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2919 -8.4949 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 2 14 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 10 1 0 0 0 0\n 3 11 1 0 0 0 0\n 3 15 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 7 1 0 0 0 0\n 4 11 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 6 18 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 11 1 0 0 0 0\n 7 12 1 0 0 0 0\n 7 19 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 12 1 0 0 0 0\n 8 20 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 12 1 0 0 0 0\n 9 21 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 22 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 23 1 0 0 0 0\n 12 24 1 0 0 0 0\n 1 13 1 0 0 0 0\nM CHG 2 1 -1 12 -1\nM END\n> <group>\n3D Templates\n\n$$$$\nVitamin B12\n -INDIGO-03312515413D\n\n103114 0 0 1 0 0 0 0 0999 V2000\n 16.4280 -4.2779 -2.8020 C 0 0 2 0 0 0 0 0 0 0 0 0\n 15.9522 -3.4839 -4.0210 C 0 0 2 0 0 0 0 0 0 0 0 0\n 17.1035 -3.4780 -4.8521 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.2357 -3.7357 -4.1287 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5797 -3.6065 -4.4278 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5526 -3.9409 -3.5181 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7296 -3.8307 -3.7707 C 0 0 1 0 0 0 0 0 0 0 0 0\n 22.3160 -4.2143 -2.8064 C 0 0 1 0 0 0 0 0 0 0 0 0\n 21.5064 -4.5467 -1.9697 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8581 -5.0196 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8967 -5.3912 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2373 -5.8415 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1262 -6.0594 1.7698 C 0 0 1 0 0 0 0 0 0 0 0 0\n 19.2135 -5.7719 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9012 -5.9408 1.3393 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9118 -5.5869 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4930 -5.6648 0.5286 C 0 0 1 0 0 0 0 0 0 0 0 0\n 14.9479 -5.4767 -0.7076 C 0 0 2 0 0 0 0 0 0 0 0 0\n 16.0459 -4.8177 -1.4877 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.7250 -4.7550 -1.5362 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8776 -4.2402 -2.8666 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1809 -4.4243 -2.3083 N 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5884 -5.2713 -0.2036 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2862 -5.0852 -0.7797 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7215 -3.1484 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1522 -6.0059 -3.0572 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4285 -2.2451 -3.6876 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7683 -4.1418 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1619 -2.2214 -5.4978 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3041 -4.1031 -5.8101 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.4943 -4.8963 -4.7165 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0113 -2.6829 -3.9972 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8132 -6.8399 1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7803 -5.4692 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1288 -5.0457 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0702 -7.2516 2.0783 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0822 -6.8974 1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0142 -4.6470 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8108 -4.6654 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5567 -6.7319 -1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9371 -3.1023 -5.6736 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5273 -6.4256 2.6029 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9464 -7.2614 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7697 -4.1274 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7641 -7.6474 -2.5966 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2593 -8.1136 -2.5759 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3136 -7.9546 -2.7962 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1848 -8.6408 -2.8737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5214 -8.7163 -2.7250 N 0 0 1 0 0 0 0 0 0 0 0 0\n 19.9555 -7.7346 -2.9078 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4206 -8.1595 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2917 -8.8457 -3.1735 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6677 -9.0677 -3.0629 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.0626 -7.9379 -3.2074 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7562 -9.2710 -3.3454 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9544 -9.1891 -2.8553 C 0 0 2 0 0 0 0 0 0 0 0 0\n 15.7380 -9.4902 -2.1444 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.0778 -9.5034 -2.0289 C 0 0 2 0 0 0 0 0 0 0 0 0\n 17.5407 -10.0031 -0.8085 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1036 -9.9845 -0.9041 C 0 0 2 0 0 0 0 0 0 0 0 0\n 18.5101 -10.3746 -2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8784 -8.0688 -3.2417 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8197 -10.3262 -4.0929 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5817 -11.3388 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7077 -11.3312 0.4546 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -8.9017 0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9660 -10.5002 -2.8486 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3363 -8.2937 -2.4401 P 0 0 2 0 0 0 0 0 0 0 0 0\n 14.9681 -8.2720 -2.0184 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7117 -9.1309 -2.2377 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9492 -9.0231 -1.8000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 12.2562 -8.7531 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7318 -7.9599 -4.0172 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0570 -8.3499 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7584 -9.7717 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4463 -9.3799 -1.7642 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4572 -8.6850 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0977 -7.5732 -2.0905 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7658 -8.7134 -0.4125 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9453 -4.9999 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0840 -4.4886 -0.6948 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.7285 -0.7472 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2805 -2.3848 -3.7574 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4116 -1.9269 -3.7636 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1111 -3.1033 -3.8194 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0852 -3.2353 -5.7545 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0512 -2.2592 -5.7302 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6540 -1.6188 -5.7300 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6732 -1.6811 -5.6890 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2877 -2.2409 -4.0158 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5425 -2.6256 -4.0571 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6701 -1.7927 -4.0299 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9958 -3.3124 -2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0144 -5.1504 -3.0705 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.8556 -5.9254 -3.0975 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2071 -6.6494 -3.1019 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5410 -7.2087 -3.1027 N 0 0 0 0 0 0 0 0 0 0 0 0\n 22.6092 -6.9965 -3.1360 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2046 -7.5788 2.1171 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3595 -8.4436 2.1008 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9522 -9.0277 2.0684 N 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1026 -8.8878 2.1202 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7063 -2.2189 -0.6808 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 19 1 0 0 0 0\n 1 21 1 0 0 0 0\n 1 26 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 27 1 0 0 0 0\n 2 28 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 29 1 0 0 0 0\n 3 30 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 21 2 0 0 0 0\n 5 6 2 0 0 0 0\n 5 41 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 22 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 31 1 0 0 0 0\n 7 32 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 93 1 0 0 0 0\n 8 94 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 22 2 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 23 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 33 1 0 0 0 0\n 12 34 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 35 1 0 0 0 0\n 13 36 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 23 2 0 0 0 0\n 15 16 2 0 0 0 0\n 15 42 1 0 0 0 0\n 16 17 1 0 0 0 0\n 16 24 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 37 1 0 0 0 0\n 17 38 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 39 1 0 0 0 0\n 18 40 1 0 0 0 0\n 19 24 1 0 0 0 0\n 19 44 1 0 0 0 0\n 25103 3 0 0 0 0\n 27 83 1 0 0 0 0\n 30 86 1 0 0 0 0\n 32 90 1 0 0 0 0\n 36 99 1 0 0 0 0\n 37 43 1 0 0 0 0\n 39 80 1 0 0 0 0\n 43 77 1 0 0 0 0\n 45 46 2 0 0 0 0\n 45 47 1 0 0 0 0\n 46 49 1 0 0 0 0\n 47 48 2 0 0 0 0\n 47 50 1 0 0 0 0\n 48 49 1 0 0 0 0\n 48 53 1 0 0 0 0\n 49 58 1 0 0 0 0\n 50 51 2 0 0 0 0\n 51 52 1 0 0 0 0\n 51 54 1 0 0 0 0\n 52 53 2 0 0 0 0\n 52 55 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 56 62 1 0 0 0 0\n 56 63 1 0 0 0 0\n 57 60 1 0 0 0 0\n 57 67 1 0 0 0 0\n 57 69 1 0 0 0 0\n 58 59 1 0 0 0 0\n 58 61 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 64 1 0 0 0 0\n 60 66 1 0 0 0 0\n 64 65 1 0 0 0 0\n 68 69 1 0 0 0 0\n 68 70 1 0 0 0 0\n 68 73 2 0 0 0 0\n 68 78 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 71 74 1 0 0 0 0\n 71 75 1 0 0 0 0\n 72 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 77 79 2 0 0 0 0\n 80 81 1 0 0 0 0\n 80 82 2 0 0 0 0\n 83 85 2 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 87 89 2 0 0 0 0\n 90 91 1 0 0 0 0\n 90 92 2 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 96 98 2 0 0 0 0\n 99100 1 0 0 0 0\n100101 1 0 0 0 0\n100102 2 0 0 0 0\n 83 84 1 0 0 0 0\n 25 20 9 0 0 0 0\n 21 20 9 0 0 0 0\n 24 20 9 0 0 0 0\n 45 20 9 0 0 0 0\n 23 20 9 0 0 0 0\n 22 20 9 0 0 0 0\nM CHG 4 20 1 24 -1 25 -1 78 -1\nM END\n> <group>\n3D Templates\n\n$$$$\nsucrose\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 31 32 0 0 0 999 V2000\n 5.2890 -7.5286 -0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6624 -5.1211 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2941 -5.7056 2.0759 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9494 -7.5048 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0481 -8.2707 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2890 -4.4624 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3001 -5.0862 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1244 -4.8497 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5502 -3.7821 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2117 -6.2026 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3725 -5.8284 -1.8918 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3225 -6.4586 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2839 -6.9390 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5059 -7.2324 -2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5117 -6.1824 -4.0570 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2609 -5.5788 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9153 -6.8782 -0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4269 -6.7225 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3241 -8.0774 2.1099 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1140 -7.8468 -1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3110 -9.0856 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5240 -8.9610 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7799 -10.1548 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8853 -8.7670 1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6894 -7.6334 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4355 -6.9446 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0396 -5.5329 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4050 -5.2699 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7885 -9.0951 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1875 -10.4160 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0011 -11.7179 -0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 12 1 0 0 0 0\n 2 12 1 0 0 0 0\n 3 10 1 0 0 0 0\n 4 10 1 0 0 0 0\n 5 13 1 0 0 0 0\n 6 16 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 7 16 1 0 0 0 0\n 10 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 16 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 26 1 0 0 0 0\n 18 25 1 0 0 0 0\n 19 25 1 0 0 0 0\n 20 26 1 0 0 0 0\n 20 29 1 0 0 0 0\n 21 29 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 1 0 0 0 0\n 22 29 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 27 28 1 0 0 0 0\nM END\n> <atomid>\n20\n\n> <bondid>\n22\n\n> <group>\n3D Templates\n\n$$$$\nHeptamolybdate ion\n -INDIGO-03312515443D\n\n 31 42 0 0 0 0 0 0 0 0999 V2000\n 18.4677 -7.9741 0.4125 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2144 -9.0440 0.0304 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4315 -8.3961 0.9253 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7534 -6.4779 0.2889 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7173 -6.8980 0.8027 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0401 -4.9816 0.1655 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0740 -4.5540 -0.3376 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2913 -3.9060 0.5565 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0040 -5.4018 0.6794 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0877 -7.3561 -1.0859 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8018 -8.4457 -1.4534 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0750 -7.7631 -0.5929 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6821 -7.1722 -2.1186 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3635 -5.8475 -1.2255 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3639 -5.4195 -1.7265 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0879 -6.9494 -1.5752 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6478 -4.7701 -0.8389 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3612 -6.2669 -0.7148 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9572 -5.6662 -2.2763 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8720 -7.7514 0.8975 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5980 -8.8053 0.5010 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8583 -8.1882 1.4264 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2425 -7.9578 1.8944 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5000 -7.5460 -0.0916 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1933 -6.2498 0.7667 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9297 -7.2940 0.3845 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1436 -6.6904 1.3026 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2384 -5.8517 0.2833 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4294 -5.1940 1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5969 -6.4504 1.7553 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7863 -6.0492 -0.2149 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\n 1 5 1 0 0 0 0\n 1 12 1 0 0 0 0\n 1 22 1 0 0 0 0\n 1 24 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 9 1 0 0 0 0\n 4 18 1 0 0 0 0\n 4 24 1 0 0 0 0\n 4 27 1 0 0 0 0\n 4 31 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 6 17 1 0 0 0 0\n 6 29 1 0 0 0 0\n 6 27 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 10 16 1 0 0 0 0\n 10 18 1 0 0 0 0\n 10 24 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 14 24 1 0 0 0 0\n 14 19 2 0 0 0 0\n 9 14 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 5 20 1 0 0 0 0\n 20 26 1 0 0 0 0\n 20 27 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\n 25 28 2 0 0 0 0\n 25 29 1 0 0 0 0\n 25 30 2 0 0 0 0\n 25 31 1 0 0 0 0\n 20 23 2 0 0 0 0\nM CHG 8 1 2 5 -1 6 2 9 -1 10 2 12 -2 14 2 16 -2\nM CHG 8 17 -2 18 -1 20 2 22 -2 24 -1 25 2 26 -2 27 -1\nM CHG 2 29 -2 31 -1\nM END\n> <group>\n3D Templates\n\n$$$$\nC20H20\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 40 50 0 0 0 999 V2000\n 7.5483 -7.7451 -3.3419 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3984 -5.8792 -3.4318 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3399 -6.5425 -1.9898 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6820 -3.9425 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8163 -7.1034 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5722 -4.7343 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1701 -7.2380 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8300 -6.9765 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6631 -7.1690 -1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4077 -9.5239 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9006 -10.0139 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6600 -8.8749 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5136 -5.9115 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5338 -7.8406 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6981 -8.8654 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4046 -10.6907 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3185 -9.3106 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4958 -10.8075 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5552 -7.8780 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8522 -9.1147 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1601 -8.2997 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5774 -7.5989 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6577 -4.0099 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0808 -6.4894 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9123 -5.4699 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9155 -8.2329 2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0766 -7.5513 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6780 -6.9857 3.3021 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5861 -5.8939 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9973 -5.0597 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3193 -5.8429 1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4740 -4.7173 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9809 -7.1457 1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8270 -6.1245 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0023 -5.4308 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9125 -8.9385 -1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2374 -9.3522 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4116 -8.6461 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7726 -9.9758 -2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2577 -7.6250 -1.9478 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 40 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 9 1 0 0 0 0\n 3 25 1 0 0 0 0\n 3 40 1 0 0 0 0\n 4 25 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 29 1 0 0 0 0\n 7 21 1 0 0 0 0\n 7 29 1 0 0 0 0\n 7 40 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 24 1 0 0 0 0\n 9 38 1 0 0 0 0\n 10 38 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 17 1 0 0 0 0\n 12 27 1 0 0 0 0\n 12 38 1 0 0 0 0\n 13 24 1 0 0 0 0\n 14 27 1 0 0 0 0\n 15 26 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 26 1 0 0 0 0\n 17 37 1 0 0 0 0\n 18 37 1 0 0 0 0\n 19 22 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 21 37 1 0 0 0 0\n 22 26 1 0 0 0 0\n 22 34 1 0 0 0 0\n 23 35 1 0 0 0 0\n 24 27 1 0 0 0 0\n 24 35 1 0 0 0 0\n 25 29 1 0 0 0 0\n 25 35 1 0 0 0 0\n 26 33 1 0 0 0 0\n 27 33 1 0 0 0 0\n 28 33 1 0 0 0 0\n 29 34 1 0 0 0 0\n 30 34 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 33 1 0 0 0 0\n 31 35 1 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 1 0 0 0 0\n 36 39 1 0 0 0 0\n 36 40 1 0 0 0 0\n 31 34 1 0 0 0 0\nM END\n> <atomid>\n19\n\n> <bondid>\n27\n\n> <group>\n3D Templates\n\n$$$$\nTetracobalt dodecacarbonyl\n -INDIGO-03312515423D\n\n 28 33 0 0 0 0 0 0 0 0999 V2000\n 17.7209 -5.9276 0.1578 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2423 -5.2448 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5073 -4.6902 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9598 -4.9280 1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0159 -4.9114 0.7574 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.4149 -4.0696 -1.5867 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5847 -4.4295 2.0078 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2598 -8.6407 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5069 -7.4625 1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2480 -8.9929 1.9591 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6274 -7.2300 2.2740 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9969 -6.7234 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7245 -7.9864 -1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8513 -6.3329 -1.3649 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4536 -8.2301 -1.6329 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1330 -7.4567 -0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9481 -8.5769 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4328 -7.2049 -0.9539 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1529 -8.8834 -1.1785 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6737 -7.5690 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4692 -7.4081 1.4013 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2683 -7.9399 1.2282 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8991 -8.2285 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9960 -8.5388 1.7147 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5344 -7.9515 -0.6701 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5066 -7.5868 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2792 -7.4934 -0.7734 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6150 -7.4372 -3.3310 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 22 1 0 0 0 0\n 1 25 1 0 0 0 0\n 1 27 1 0 0 0 0\n 2 5 3 0 0 0 0\n 4 7 3 0 0 0 0\n 8 10 3 0 0 0 0\n 8 22 9 0 0 0 0\n 9 11 3 0 0 0 0\n 9 22 9 0 0 0 0\n 12 14 3 0 0 0 0\n 12 27 9 0 0 0 0\n 13 15 3 0 0 0 0\n 13 27 9 0 0 0 0\n 16 18 3 0 0 0 0\n 16 25 9 0 0 0 0\n 17 19 3 0 0 0 0\n 17 25 9 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 9 0 0 0 0\n 22 25 1 0 0 0 0\n 22 27 1 0 0 0 0\n 23 24 2 0 0 0 0\n 25 27 1 0 0 0 0\n 26 27 9 0 0 0 0\n 26 28 2 0 0 0 0\n 3 6 3 0 0 0 0\n 4 1 9 0 0 0 0\n 3 1 9 0 0 0 0\n 2 1 9 0 0 0 0\n 23 25 9 0 0 0 0\n 23 22 9 0 0 0 0\n 26 25 9 0 0 0 0\n 20 27 9 0 0 0 0\nM CHG 8 2 -1 3 -1 4 -1 5 1 6 1 7 1 8 -1 9 -1\nM CHG 8 10 1 11 1 12 -1 13 -1 14 1 15 1 16 -1 17 -1\nM CHG 8 18 1 19 1 20 -2 22 2 23 -2 25 2 26 -2 27 2\nM END\n> <group>\n3D Templates\n\n$$$$\nIron pentacarbonyl\n -INDIGO-03312515433D\n\n 11 10 0 0 0 0 0 0 0 0999 V2000\n 17.8272 -6.5434 0.0016 Fe 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5160 -6.5546 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4365 -6.3526 -1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4929 -6.7351 1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8279 -4.9640 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8265 -8.1106 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9473 -6.1954 -2.0026 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0125 -6.8785 1.9652 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4727 -6.5682 0.0394 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8279 -3.9110 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8266 -9.1515 -0.3878 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 9 3 0 0 0 0\n 3 7 3 0 0 0 0\n 4 8 3 0 0 0 0\n 6 11 3 0 0 0 0\n 5 10 3 0 0 0 0\n 2 1 9 0 0 0 0\n 5 1 9 0 0 0 0\n 6 1 9 0 0 0 0\n 3 1 9 0 0 0 0\n 4 1 9 0 0 0 0\nM CHG 8 2 -1 3 -1 4 -1 5 -1 6 -1 7 1 8 1 9 1\nM CHG 2 10 1 11 1\nM END\n> <group>\n3D Templates\n\n$$$$\nChlorophyll A\n -INDIGO-03312515473D\n\n 0 0 0 0 0 0 0 0 0 0 0 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 71 77 0 0 0\nM V30 BEGIN ATOM\nM V30 1 C 19.4605 -9.71006 -7.9474 0\nM V30 2 C 18.7353 -8.98751 -8.59136 0\nM V30 3 C 17.324 -8.4129 -9.31537 0 CFG=1\nM V30 4 C 18.1019 -7.72808 -9.55292 0\nM V30 5 C 17.9353 -6.77994 -10.1982 0\nM V30 6 C 18.8805 -6.06238 -10.4591 0\nM V30 7 C 18.8007 -5.19229 -11.0525 0\nM V30 8 C 19.7446 -4.7595 -11.095 0\nM V30 9 C 20.4051 -5.32973 -10.5434 0\nM V30 10 C 21.5599 -5.06382 -10.4421 0\nM V30 11 C 22.2994 -5.79261 -9.79884 0\nM V30 12 C 23.3213 -5.61298 -9.679 0\nM V30 13 C 23.7235 -6.38137 -9.08001 0\nM V30 14 C 22.9388 -7.03005 -8.83974 0\nM V30 15 C 23.0717 -7.99068 -8.19598 0\nM V30 16 C 22.1566 -8.72106 -7.95039 0\nM V30 17 C 22.2416 -9.58012 -7.36947 0\nM V30 18 C 21.2877 -10.0316 -7.30184 0\nM V30 19 C 20.5789 -10.9304 -6.87822 0\nM V30 20 C 20.6339 -9.42833 -7.84742 0\nM V30 21 N 21.0789 -8.4414 -8.38869 0 CHG=-1\nM V30 22 N 19.1807 -7.99925 -9.12897 0\nM V30 23 N 19.9738 -6.33394 -10.0129 0 CHG=-1\nM V30 24 N 21.8544 -6.77928 -9.26103 0\nM V30 25 Mg 20.521 -7.37495 -9.20264 0 CHG=2\nM V30 26 O 20.9331 -11.8585 -6.18763 0\nM V30 27 H 17.5114 -10.1302 -9.18982 0\nM V30 28 H 16.5656 -7.90312 -8.81403 0\nM V30 29 C 16.9188 -8.84409 -10.1772 0\nM V30 30 C 17.799 -4.78083 -11.5722 0\nM V30 31 C 20.037 -3.7266 -11.7042 0\nM V30 32 C 21.1752 -3.30391 -11.681 0\nM V30 33 C 23.9535 -4.67335 -10.1524 0\nM V30 34 C 24.8823 -6.49357 -8.72209 0\nM V30 35 C 25.7379 -7.09302 -9.36034 0\nM V30 36 C 23.2591 -9.98361 -6.84023 0\nM V30 37 H 18.6587 -10.7866 -6.46656 0\nM V30 38 C 19.4474 -10.7345 -7.28915 0 CFG=2\nM V30 39 C 18.0599 -12.1106 -8.48939 0\nM V30 40 O 18.332 -11.4379 -8.01469 0\nM V30 41 C 19.1669 -11.4059 -7.76206 0\nM V30 42 O 19.7188 -12.0481 -7.98433 0\nM V30 43 C 17.6994 -9.17517 -8.72243 0 CFG=2\nM V30 44 C 17.4168 -9.18228 -7.74685 0\nM V30 45 C 16.5945 -9.72793 -7.45915 0\nM V30 46 C 10.7469 -9.40661 -5.43379 0\nM V30 47 O 14.9281 -9.78313 -6.88201 0\nM V30 48 C 15.7471 -9.23735 -7.16633 0\nM V30 49 O 15.709 -8.21494 -7.15603 0\nM V30 50 C 14.0819 -9.29448 -6.58946 0\nM V30 51 C 13.2579 -9.84006 -6.30003 0\nM V30 52 H 13.2947 -10.8688 -6.31285 0\nM V30 53 C 11.5947 -9.89546 -5.72641 0\nM V30 54 C 12.4151 -9.35141 -6.01259 0\nM V30 55 C 12.3757 -8.3276 -5.99877 0\nM V30 56 C 9.86938 -7.90538 -5.134 0 CFG=2\nM V30 57 H 9.62944 -8.25467 -4.0261 0\nM V30 58 C 10.7233 -8.38095 -5.43007 0\nM V30 59 C 9.00189 -8.29818 -5.6829 0\nM V30 60 C 9.84746 -6.88012 -5.13021 0\nM V30 61 C 10.7044 -6.3714 -5.34697 0\nM V30 62 C 11.5596 -4.83889 -5.56539 0 CFG=2\nM V30 63 H 11.998 -5.21381 -6.56348 0\nM V30 64 C 10.695 -5.34268 -5.34803 0\nM V30 65 C 12.3516 -5.1701 -4.82397 0\nM V30 66 C 11.5484 -3.81189 -5.56486 0\nM V30 67 C 12.4102 -3.31288 -5.78115 0\nM V30 68 C 12.4153 -2.28157 -5.78527 0\nM V30 69 C 13.2796 -0.764398 -6.00907 0\nM V30 70 C 13.2796 -1.7874 -6.00907 0\nM V30 71 C 14.1382 -2.30303 -6.21732 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 2 1 20\nM V30 3 1 1 38\nM V30 4 2 2 22\nM V30 5 1 2 43\nM V30 6 1 3 4\nM V30 7 1 3 28\nM V30 8 1 3 29\nM V30 9 1 3 43\nM V30 10 2 4 5\nM V30 11 1 4 22\nM V30 12 1 5 6\nM V30 13 2 6 7\nM V30 14 1 6 23\nM V30 15 1 7 8\nM V30 16 1 7 30\nM V30 17 2 8 9\nM V30 18 1 8 31\nM V30 19 1 9 10\nM V30 20 1 9 23\nM V30 21 2 10 11\nM V30 22 1 11 12\nM V30 23 1 11 24\nM V30 24 2 12 13\nM V30 25 1 12 33\nM V30 26 1 13 14\nM V30 27 1 13 34\nM V30 28 1 14 15\nM V30 29 2 14 24\nM V30 30 2 15 16\nM V30 31 1 16 17\nM V30 32 1 16 21\nM V30 33 2 17 18\nM V30 34 1 17 36\nM V30 35 1 18 19\nM V30 36 1 18 20\nM V30 37 2 19 26\nM V30 38 1 19 38\nM V30 39 1 20 21\nM V30 40 9 22 25\nM V30 41 9 24 25\nM V30 42 1 27 43\nM V30 43 2 31 32\nM V30 44 1 34 35\nM V30 45 1 37 38\nM V30 46 1 38 41\nM V30 47 1 39 40\nM V30 48 1 40 41\nM V30 49 2 41 42\nM V30 50 1 43 44\nM V30 51 1 44 45\nM V30 52 1 45 48\nM V30 53 1 46 53\nM V30 54 1 46 58\nM V30 55 1 47 48\nM V30 56 1 47 50\nM V30 57 2 48 49\nM V30 58 1 50 51\nM V30 59 1 51 52\nM V30 60 2 51 54\nM V30 61 1 53 54\nM V30 62 1 54 55\nM V30 63 1 56 57\nM V30 64 1 56 58\nM V30 65 1 56 59\nM V30 66 1 56 60\nM V30 67 1 60 61\nM V30 68 1 61 64\nM V30 69 1 62 63\nM V30 70 1 62 64\nM V30 71 1 62 65\nM V30 72 1 62 66\nM V30 73 1 66 67\nM V30 74 1 67 68\nM V30 75 1 68 70\nM V30 76 1 70 71\nM V30 77 1 69 70\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(5 3 38 43 56 62)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n> <group>\n3D Templates\n\n$$$$\nPhenylalanine mustard\n Ketcher 8252313372D 1 1.00000 0.00000 0\n\n 19 19 0 0 1 0 0 0 0 0999 V2000\n 5.5721 -3.1600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1079 -3.1600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1079 -11.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -11.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -5.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1079 -9.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -6.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -9.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -8.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7061 -4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -9.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7061 -6.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -6.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7061 -7.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -7.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7061 -3.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -3.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -10.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 17 1 0 0 0\n 2 18 1 0 0 0\n 3 19 1 0 0 0\n 4 19 2 0 0 0\n 5 7 1 0 0 0\n 5 10 1 0 0 0\n 5 11 1 0 0 0\n 12 6 1 1 0 0\n 7 13 2 0 0 0\n 7 14 1 0 0 0\n 8 9 1 0 0 0\n 8 12 1 0 0 0\n 9 15 2 0 0 0\n 9 16 1 0 0 0\n 10 17 1 0 0 0\n 11 18 1 0 0 0\n 12 19 1 0 0 0\n 13 15 1 0 0 0\n 14 16 2 0 0 0\nM END\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\nAromatics\n\n$$$$";
|
|
1114
|
+
var templatesRawData$2 = "alpha-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.4110 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4110 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2304 0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0499 1.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2360 3.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8478 2.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3208 3.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3208 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2360 1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1456 2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1456 3.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0499 3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Arabinofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.9332 3.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5926 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7765 1.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7048 3.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0588 2.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8825 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1801 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1909 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5142 2.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4573 3.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Arabinopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Erythrofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 6 0 0\n 6 2 1 6 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Lyxofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Lyxopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Psicofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n 15.0740 -8.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3759 -8.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7463 -10.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5700 -10.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6353 -7.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2665 -9.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1656 -7.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4589 -8.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1574 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 -9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8298 -8.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8731 -8.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 1 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 6 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Ribofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Ribopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Sorbofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 6 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Tagatofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 1 0 0\n 8 2 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 6 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Threofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 6 0 0\n 6 2 1 1 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Xylofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nalpha-D-Xylopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 6 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nalpha-D-Sugars\n\n$$$$\nCyclopenta-1,3-diene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 9.6696 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6696 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4243 -4.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1804 -4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1804 -5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 1 5 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\n1H-indene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.1899 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1899 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0555 -5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9228 -5.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9228 -4.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0555 -3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8731 -5.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4601 -4.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8731 -3.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 5 9 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n6\n\n> <bondid>\n7\n\n$$$$\nNaphtalene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 11.0090 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1429 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1429 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0090 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8751 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8751 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7410 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7410 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6071 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6071 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n6\n\n> <bondid>\n10\n\n$$$$\nAzulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 12.4941 -7.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2759 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4941 -5.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5192 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0853 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5192 -7.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2270 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2759 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2270 -7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8147 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 8 2 0 0 0\n 1 6 1 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 7 2 2 0 0 0\n 7 10 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 2 8 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n4\n\n> <bondid>\n4\n\n$$$$\nE-Stilbene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 15 0 0 0 999 V2000\n 10.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3250 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8249 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3250 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8250 -4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3250 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 14 9 1 0 0 0\n 10 9 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n2\n\n> <bondid>\n3\n\n$$$$\nZ-Stilbene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 15 0 0 0 999 V2000\n 12.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3749 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8750 -3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8750 -4.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3750 -5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8750 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3750 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 9 14 2 0 0 0\n 10 11 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n3\n\n> <bondid>\n3\n\n$$$$\nAnthracene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 16 0 0 0 999 V2000\n 8.0930 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2269 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2269 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0930 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9591 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9591 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8250 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6911 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6911 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5571 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5571 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4231 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4231 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 8 9 2 0 0 0\n 11 10 1 0 0 0\n 9 10 1 0 0 0\n 9 12 1 0 0 0\n 11 14 2 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n15\n\n$$$$\nPhenantrene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 16 0 0 0 999 V2000\n 10.7760 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9099 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9099 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7760 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6420 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6420 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5080 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3740 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2401 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2401 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 6 2 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 8 1 0 0 0\n 7 10 2 0 0 0\n 9 10 1 0 0 0\n 8 11 2 0 0 0\n 8 9 1 0 0 0\n 9 14 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyrene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 19 0 0 0 999 V2000\n 13.2084 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2084 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -4.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3434 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3434 -4.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2084 -4.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2065 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0732 -6.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9399 -5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 6 1 0 0 0\n 3 7 2 0 0 0\n 7 8 1 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\n 4 10 2 0 0 0\n 2 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 7 13 1 0 0 0\n 13 14 2 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 8 16 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n12\n\n$$$$\nTriphenylene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 21 0 0 0 999 V2000\n 10.5140 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5140 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6491 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7859 -3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7859 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6491 -4.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3807 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2474 -6.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1141 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 6 1 0 0 0\n 1 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 2 10 1 0 0 0\n 5 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\n 6 14 1 0 0 0\n 3 15 1 0 0 0\n 15 16 2 0 0 0\n 16 17 1 0 0 0\n 17 18 2 0 0 0\n 4 18 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n7\n\n> <bondid>\n8\n\n$$$$\nTriptycene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 24 0 0 0 999 V2000\n 9.9580 -4.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9460 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4637 -3.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5123 -3.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9580 -2.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5123 -2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3265 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8129 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5262 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3987 -5.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9317 -4.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3151 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4284 -3.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6530 -3.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1683 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0407 -4.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5412 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7350 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4524 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7528 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 1 5 1 0 0 0\n 5 6 2 0 0 0\n 4 6 1 0 0 0\n 4 7 1 0 0 0\n 1 8 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 7 12 1 0 0 0\n 3 13 1 0 0 0\n 13 14 2 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 2 16 1 0 0 0\n 5 17 1 0 0 0\n 17 18 2 0 0 0\n 18 19 1 0 0 0\n 19 20 2 0 0 0\n 6 20 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n18\n\n> <bondid>\n21\n\n$$$$\n14-Annulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 12.0122 -0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1483 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8762 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8762 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3221 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3221 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9139 -4.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7779 -3.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7779 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1861 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0500 -5.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9139 -5.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 2 0 0 0\n 2 3 2 0 0 0\n 4 5 1 0 0 0\n 3 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 4 11 2 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 14 9 1 0 0 0\n 8 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n18-Annulene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 9.2590 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1250 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9910 6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 4.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7230 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7230 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5270 4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5270 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3930 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2590 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1250 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9910 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8570 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 4 1 0 0 0\n 2 3 1 0 0 0\n 5 4 2 0 0 0\n 5 7 1 0 0 0\n 6 7 2 0 0 0\n 6 10 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 3 11 2 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 14 15 2 0 0 0\n 15 16 1 0 0 0\n 16 17 2 0 0 0\n 18 8 2 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPorphyrin\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 24 28 0 0 0 999 V2000\n 6.4862 -8.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1697 -9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0926 -8.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9419 -7.9790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9418 -7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1979 -4.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4907 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9262 -6.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8876 -5.8394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0931 -4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4706 -6.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4476 -5.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7641 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8408 -4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0279 -5.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9564 -5.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9807 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8077 -9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4794 -8.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0074 -7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0106 -7.9610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8407 -8.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9886 -9.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4636 -6.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 1 5 1 0 0 0\n 5 11 2 0 0 0\n 3 23 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 10 2 0 0 0\n 10 17 1 0 0 0\n 8 11 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 2 0 0 0\n 12 16 1 0 0 0\n 16 24 1 0 0 0\n 14 17 2 0 0 0\n 18 19 2 0 0 0\n 19 20 1 0 0 0\n 20 21 1 0 0 0\n 21 22 1 0 0 0\n 18 22 1 0 0 0\n 22 23 2 0 0 0\n 20 24 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n10\n\n> <bondid>\n0\n\n$$$$\nPhthalocyanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 40 48 0 0 0 999 V2000\n 13.9159 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8818 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5888 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3301 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9102 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9102 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3641 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3301 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5888 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8818 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9159 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6571 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7660 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9224 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -9.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9840 -9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0929 -9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8341 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8682 -10.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1612 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4199 -9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8398 -7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8276 -8.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8398 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3859 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4199 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1612 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8682 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8341 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0929 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9840 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8276 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8750 -4.5109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7660 -4.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9224 -5.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6571 -4.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 2 3 1 0 0 0\n 3 4 2 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 12 13 1 0 0 0\n 13 14 2 0 0 0\n 9 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 8 16 2 0 0 0\n 15 17 2 0 0 0\n 17 18 1 0 0 0\n 18 19 2 0 0 0\n 19 20 1 0 0 0\n 20 21 2 0 0 0\n 21 22 1 0 0 0\n 22 23 2 0 0 0\n 23 24 1 0 0 0\n 19 24 1 0 0 0\n 24 25 2 0 0 0\n 25 26 1 0 0 0\n 18 26 1 0 0 0\n 25 27 1 0 0 0\n 27 28 2 0 0 0\n 28 29 1 0 0 0\n 29 30 2 0 0 0\n 30 31 1 0 0 0\n 31 32 2 0 0 0\n 32 33 1 0 0 0\n 33 34 2 0 0 0\n 29 34 1 0 0 0\n 34 35 1 0 0 0\n 35 36 2 0 0 0\n 28 36 1 0 0 0\n 35 37 1 0 0 0\n 37 38 2 0 0 0\n 38 39 1 0 0 0\n 6 39 1 0 0 0\n 38 40 1 0 0 0\n 1 40 1 0 0 0\n 5 40 2 0 0 0\nM END\n> <group>\nAromatics\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nC60\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 60 90 0 0 0 999 V2000\n 10.6305 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4365 -3.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8444 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4219 -5.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5101 -5.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5398 -3.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6243 -3.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6091 -4.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2501 -2.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0714 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6279 -4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2354 -2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7973 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4171 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9548 -0.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1712 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7491 -4.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3544 -3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8607 -5.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0881 -2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1915 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6908 -3.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7895 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5564 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2017 -6.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0400 -6.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6031 -6.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3296 -5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6757 -4.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1284 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5026 -6.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7601 -5.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6003 -5.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1810 -6.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8290 -5.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0080 -7.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3450 -7.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7432 -6.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1088 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8830 -6.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6700 -4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0651 -5.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2290 -6.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4556 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6990 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8777 -3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8635 -4.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4704 -2.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0974 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2911 -1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1183 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6963 -2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5507 -3.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9700 -2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2594 -1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4391 -3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0504 -5.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2122 -5.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9459 -4.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6724 -4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 3 1 0 0 0\n 1 12 1 0 0 0\n 2 4 1 0 0 0\n 2 6 1 0 0 0\n 3 11 2 0 0 0\n 3 35 1 0 0 0\n 4 5 2 0 0 0\n 4 33 1 0 0 0\n 5 8 1 0 0 0\n 5 38 1 0 0 0\n 6 7 2 0 0 0\n 6 13 1 0 0 0\n 7 8 1 0 0 0\n 7 54 1 0 0 0\n 8 59 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\n 9 20 1 0 0 0\n 10 12 1 0 0 0\n 10 14 1 0 0 0\n 11 19 1 0 0 0\n 12 13 2 0 0 0\n 13 16 1 0 0 0\n 14 15 2 0 0 0\n 14 21 1 0 0 0\n 15 16 1 0 0 0\n 15 50 1 0 0 0\n 16 55 2 0 0 0\n 17 18 1 0 0 0\n 17 19 2 0 0 0\n 17 28 1 0 0 0\n 18 20 2 0 0 0\n 18 22 1 0 0 0\n 19 27 1 0 0 0\n 20 21 1 0 0 0\n 21 24 2 0 0 0\n 22 23 2 0 0 0\n 22 29 1 0 0 0\n 23 24 1 0 0 0\n 23 46 1 0 0 0\n 24 51 1 0 0 0\n 25 26 1 0 0 0\n 25 27 2 0 0 0\n 25 36 1 0 0 0\n 26 28 2 0 0 0\n 26 30 1 0 0 0\n 27 35 1 0 0 0\n 28 29 1 0 0 0\n 29 32 2 0 0 0\n 30 31 2 0 0 0\n 30 37 1 0 0 0\n 31 32 1 0 0 0\n 31 42 1 0 0 0\n 32 47 1 0 0 0\n 33 34 1 0 0 0\n 33 35 2 0 0 0\n 34 36 2 0 0 0\n 34 38 1 0 0 0\n 36 37 1 0 0 0\n 37 40 2 0 0 0\n 38 39 2 0 0 0\n 39 40 1 0 0 0\n 39 58 1 0 0 0\n 40 43 1 0 0 0\n 41 42 1 0 0 0\n 41 44 2 0 0 0\n 41 47 1 0 0 0\n 42 43 2 0 0 0\n 43 57 1 0 0 0\n 44 48 1 0 0 0\n 44 60 1 0 0 0\n 45 46 1 0 0 0\n 45 48 2 0 0 0\n 45 51 1 0 0 0\n 46 47 2 0 0 0\n 48 52 1 0 0 0\n 49 50 1 0 0 0\n 49 52 2 0 0 0\n 49 55 1 0 0 0\n 50 51 2 0 0 0\n 52 56 1 0 0 0\n 53 54 2 0 0 0\n 53 56 1 0 0 0\n 53 59 1 0 0 0\n 54 55 1 0 0 0\n 56 60 2 0 0 0\n 57 58 2 0 0 0\n 57 60 1 0 0 0\n 58 59 1 0 0 0\nM END\n> <group>\nAromatics\n\n$$$$\nC80\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 80120 0 0 0 999 V2000\n 11.8140 -5.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5730 -4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3980 -3.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3673 -3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8724 -5.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8224 -5.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6539 -5.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4150 -4.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9660 -2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7771 -1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0084 -2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3368 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7715 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5128 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3575 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1355 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8558 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6671 -4.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4256 -3.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1773 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0790 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2783 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7476 -1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7551 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3396 0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9755 0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7881 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0200 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5229 -1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3638 -0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1415 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7930 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6051 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0017 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6029 -2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2792 -3.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3934 -0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8243 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5823 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0719 -3.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3761 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5941 -0.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4269 -0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8338 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0674 -4.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5676 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3874 -3.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7983 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7257 -4.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1077 -6.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8850 -5.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4555 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4785 -3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8925 -4.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7361 -4.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1144 -5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9102 -6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4615 -6.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2725 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2295 -6.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1717 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5034 -4.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9729 -5.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4956 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2845 -3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2423 -4.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4737 -4.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9139 -5.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4340 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8516 -2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6760 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8824 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1818 -1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8621 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6814 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4502 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6453 -5.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6473 -3.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2489 -4.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9708 -3.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 1 5 1 0 0 0\n 1 48 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 3 11 2 0 0 0\n 3 47 1 0 0 0\n 4 8 2 0 0 0\n 4 9 1 0 0 0\n 5 7 2 0 0 0\n 5 59 1 0 0 0\n 6 7 1 0 0 0\n 6 17 2 0 0 0\n 6 60 1 0 0 0\n 7 8 1 0 0 0\n 8 19 1 0 0 0\n 9 10 2 0 0 0\n 9 13 1 0 0 0\n 10 11 1 0 0 0\n 10 12 1 0 0 0\n 11 23 1 0 0 0\n 12 16 2 0 0 0\n 12 21 1 0 0 0\n 13 15 2 0 0 0\n 13 19 1 0 0 0\n 14 15 1 0 0 0\n 14 20 2 0 0 0\n 14 29 1 0 0 0\n 15 16 1 0 0 0\n 16 31 1 0 0 0\n 17 18 1 0 0 0\n 17 77 1 0 0 0\n 18 19 2 0 0 0\n 18 20 1 0 0 0\n 20 80 1 0 0 0\n 21 22 2 0 0 0\n 21 25 1 0 0 0\n 22 23 1 0 0 0\n 22 24 1 0 0 0\n 23 35 2 0 0 0\n 24 28 2 0 0 0\n 24 33 1 0 0 0\n 25 27 1 0 0 0\n 25 31 2 0 0 0\n 26 27 2 0 0 0\n 26 32 1 0 0 0\n 26 41 1 0 0 0\n 27 28 1 0 0 0\n 28 43 1 0 0 0\n 29 30 2 0 0 0\n 29 73 1 0 0 0\n 30 31 1 0 0 0\n 30 32 1 0 0 0\n 32 76 2 0 0 0\n 33 34 2 0 0 0\n 33 37 1 0 0 0\n 34 35 1 0 0 0\n 34 36 1 0 0 0\n 35 47 1 0 0 0\n 36 40 1 0 0 0\n 36 45 2 0 0 0\n 37 39 2 0 0 0\n 37 43 1 0 0 0\n 38 39 1 0 0 0\n 38 44 2 0 0 0\n 38 53 1 0 0 0\n 39 40 1 0 0 0\n 40 55 2 0 0 0\n 41 42 1 0 0 0\n 41 69 2 0 0 0\n 42 43 2 0 0 0\n 42 44 1 0 0 0\n 44 72 1 0 0 0\n 45 46 1 0 0 0\n 45 49 1 0 0 0\n 46 47 2 0 0 0\n 46 48 1 0 0 0\n 48 52 2 0 0 0\n 49 51 2 0 0 0\n 49 55 1 0 0 0\n 50 51 1 0 0 0\n 50 56 1 0 0 0\n 50 57 2 0 0 0\n 51 52 1 0 0 0\n 52 59 1 0 0 0\n 53 54 2 0 0 0\n 53 65 1 0 0 0\n 54 55 1 0 0 0\n 54 56 1 0 0 0\n 56 68 2 0 0 0\n 57 58 1 0 0 0\n 57 61 1 0 0 0\n 58 59 2 0 0 0\n 58 60 1 0 0 0\n 60 64 2 0 0 0\n 61 63 2 0 0 0\n 61 68 1 0 0 0\n 62 63 1 0 0 0\n 62 66 1 0 0 0\n 62 78 2 0 0 0\n 63 64 1 0 0 0\n 64 77 1 0 0 0\n 65 67 2 0 0 0\n 65 72 1 0 0 0\n 66 67 1 0 0 0\n 66 70 2 0 0 0\n 67 68 1 0 0 0\n 69 71 1 0 0 0\n 69 76 1 0 0 0\n 70 71 1 0 0 0\n 70 74 1 0 0 0\n 71 72 2 0 0 0\n 73 75 1 0 0 0\n 73 80 2 0 0 0\n 74 75 2 0 0 0\n 74 78 1 0 0 0\n 75 76 1 0 0 0\n 77 79 2 0 0 0\n 78 79 1 0 0 0\n 79 80 1 0 0 0\nM END\n> <group>\nAromatics\n\n$$$$\nbeta-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.8119 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8119 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1792 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5466 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1834 2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4956 2.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4956 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1834 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5466 2.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -0.9910 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9910 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2875 0.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1462 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6372 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2834 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9337 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5799 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Arabinofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.4482 2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9421 0.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5781 0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7753 2.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5387 1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1593 2.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3822 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1394 1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3816 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0881 2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Arabinopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n 15.5611 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5611 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -8.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0958 -7.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -5.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6920 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8228 -7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9648 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Erythrofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.3742 2.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8682 1.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4960 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7013 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0854 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3125 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0613 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3035 2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 1 0 0\n 6 2 1 6 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Fructofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6256 2.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1524 2.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6198 1.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2536 1.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4559 2.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2256 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3100 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8350 2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0608 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8182 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0592 2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7755 2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 1 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.5577 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5577 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8542 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 2.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7171 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2039 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8543 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5004 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1466 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1744 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1744 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4708 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3337 2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8206 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1170 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7632 2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1119 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1119 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4083 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2712 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7581 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4084 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0545 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7007 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 6 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9244 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9244 1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2208 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 2.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0837 2.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5706 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2209 1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8670 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5132 2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 6 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Lyxofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1148 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6088 1.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2406 1.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4419 3.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2054 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8260 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0531 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8102 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0483 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7589 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Lyxopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.4513 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4513 1.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7520 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0444 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1017 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7521 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3940 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 1 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -2.1577 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1577 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4542 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3171 2.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8039 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4543 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1004 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7466 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Psicofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n 14.8241 -7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1260 -7.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4964 -9.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3201 -9.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3854 -6.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0166 -7.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9157 -6.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2090 -7.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9075 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8961 -8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5799 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6232 -7.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 6 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 6 0 0\n 9 3 1 6 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Ribofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -1.8940 2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3879 1.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0198 1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2211 2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9845 2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6051 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8322 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5894 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8274 2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5381 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Ribopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1138 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1138 1.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4145 0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7069 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 2.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7642 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4146 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 1.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0565 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 6 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Sorbofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.6290 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1517 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6232 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2529 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4552 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2290 2.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3092 2.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8384 2.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0642 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8216 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0626 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7789 2.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 6 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Tagatofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.3790 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9017 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3732 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0029 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2052 2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9790 1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0592 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5884 2.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8142 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5716 1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8126 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11 5 1 0 0 0\n 11 10 1 0 0 0\n 5 8 1 0 0 0\n 10 9 1 0 0 0\n 8 9 1 0 0 0\n 8 7 1 0 0 0\n 7 1 1 0 0 0\n 11 12 1 1 0 0\n 12 6 1 0 0 0\n 10 4 1 1 0 0\n 9 3 1 1 0 0\n 8 2 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 1 0 999 V2000\n -1.9910 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9910 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2875 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1462 2.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6372 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2834 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9337 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5799 2.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6 12 1 0 0 0\n 11 5 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 1 0 0\n 7 1 1 1 0 0\n 8 2 1 1 0 0\n 9 3 1 1 0 0\n 10 4 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Threofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n -2.8117 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3057 1.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9335 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1388 2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5229 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5029 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7410 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 4 1 0 0 0\n 8 7 1 0 0 0\n 4 5 1 0 0 0\n 7 6 1 0 0 0\n 5 6 1 0 0 0\n 5 1 1 1 0 0\n 6 2 1 1 0 0\n 7 3 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Xylofuranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.1648 2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6588 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2948 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4919 3.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2554 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8760 2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0989 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8560 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0983 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8048 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 4 1 0 0 0\n 9 8 1 0 0 0\n 4 6 1 0 0 0\n 8 7 1 0 0 0\n 6 7 1 0 0 0\n 9 10 1 1 0 0\n 10 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nbeta-D-Xylopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 1 0 999 V2000\n -2.5429 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5429 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1360 1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 3.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1934 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8396 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4899 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 10 1 0 0 0\n 10 9 1 0 0 0\n 9 8 1 0 0 0\n 8 7 1 0 0 0\n 7 6 1 0 0 0\n 6 5 1 0 0 0\n 6 1 1 1 0 0\n 7 2 1 6 0 0\n 8 3 1 1 0 0\n 9 4 1 6 0 0\nM END\n> <group>\nbeta-D-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nBicyclo[1-1-1]pentane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 6 0 0 0 999 V2000\n 9.8610 -7.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4888 -6.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5708 -7.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8036 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9790 -7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 4 5 1 0 0 0\n 1 5 1 0 0 0\n 4 3 1 0 0 0\n 2 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nBicyclo[2-1-1]hexane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 7 0 0 0 999 V2000\n 9.7097 -6.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3181 -5.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4180 -6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6494 -7.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7820 -7.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4069 -7.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 3 6 1 0 0 0\n 4 5 1 0 0 0\n 4 6 1 0 0 0\n 1 5 1 0 0 0\n 2 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n2\n\n$$$$\nBicyclo[2-2-1]heptane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 8 0 0 0 999 V2000\n 8.4502 -7.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8558 -6.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5667 -6.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3112 -7.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3890 -5.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4498 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1221 -7.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 3 1 0 0 0\n 3 6 1 0 0 0\n 6 7 1 0 0 0\n 7 4 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n6\n\n$$$$\nBicyclo[3-1-1]heptane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 8 0 0 0 999 V2000\n 8.2782 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5291 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9238 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7847 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6209 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3670 -1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6898 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 0 0 0\n 6 2 1 0 0 0\n 1 7 1 0 0 0\n 7 4 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[2-2-2]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 10.8583 -6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9678 -6.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6767 -5.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9692 -6.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1340 -4.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7980 -5.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8417 -5.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8429 -4.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 6 1 0 0 0\n 4 7 1 0 0 0\n 5 8 1 0 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[3-2-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 9.0974 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4087 -6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7744 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5802 -6.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4086 -5.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2389 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9413 -6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7036 -6.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 1 6 1 0 0 0\n 6 2 1 0 0 0\n 4 7 1 0 0 0\n 1 8 1 0 0 0\n 7 8 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n7\n\n$$$$\nBicyclo[4-1-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 9.6925 -6.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0458 -6.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3397 -7.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2905 -6.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9462 -6.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7017 -6.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0038 -6.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8230 -5.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\n 7 2 1 0 0 0\n 8 1 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nBicyclo[4-1-1]octane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 9 0 0 0 999 V2000\n 10.2044 -7.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5546 -7.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4884 -7.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8148 -7.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4736 -7.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2224 -6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3764 -8.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3337 -6.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\n 7 2 1 0 0 0\n 8 1 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nBicyclo[3-2-2]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 8.9873 -5.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9396 -4.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9753 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0774 -6.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5071 -5.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2317 -7.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8683 -7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5608 -6.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5275 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 2 5 1 0 0 0\n 3 6 1 0 0 0\n 4 7 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n5\n\n$$$$\nBicyclo[3-3-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 8.9718 -5.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8721 -5.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4727 -5.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5289 -7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5522 -7.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0453 -6.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7203 -6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3240 -5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6297 -4.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 9.1712 -6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1464 -6.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8839 -5.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6571 -5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6761 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9410 -6.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9661 -6.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7138 -6.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9410 -4.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 6 9 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 9.8115 -5.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9067 -6.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8460 -5.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6107 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6184 -5.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -6.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7040 -6.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6444 -6.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8802 -4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 6 9 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-2-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.9553 -6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1245 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8626 -5.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8073 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6505 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9147 -6.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9374 -6.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6857 -6.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8236 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 9 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[5-1-1]nonane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 7.7834 -6.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6536 -6.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4441 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1897 -5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3360 -5.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0166 -6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7177 -6.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6682 -6.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6683 -5.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 1 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 2 1 0 0 0\n 3 9 1 0 0 0\n 2 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n4\n\n$$$$\nBicyclo[3-3-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.6949 -6.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6532 -5.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6838 -7.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8949 -7.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2198 -6.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9375 -8.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5821 -8.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2787 -7.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2352 -7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0125 -6.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 2 5 1 0 0 0\n 3 6 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 4 10 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n4\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8472 -8.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7259 -7.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4386 -7.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2848 -6.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3998 -7.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6896 -7.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8114 -8.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5351 -7.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5895 -6.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8736 -6.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.7142 -6.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8068 -6.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5207 -5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5526 -5.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4737 -5.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7622 -5.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8793 -6.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6043 -5.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6627 -4.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9456 -4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-2-2]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8948 -6.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1410 -7.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0133 -6.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6416 -5.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5699 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8608 -6.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9867 -6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7095 -6.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7603 -4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0456 -5.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 8 7 1 0 0 0\n 10 6 1 0 0 0\n 9 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n8\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.3349 -6.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2468 -6.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9681 -5.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7891 -5.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8711 -5.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1522 -6.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1339 -6.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6912 -5.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0551 -4.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6319 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 9 6 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.8223 -6.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1166 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8745 -6.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5558 -5.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5492 -5.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8328 -6.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6175 -6.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4940 -5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7350 -4.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3255 -5.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 9 6 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 9.4787 -5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3279 -5.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0029 -5.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0617 -6.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0396 -7.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5557 -6.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1589 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8008 -5.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1673 -4.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6327 -5.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n10\n\n$$$$\nBicyclo[4-3-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.5704 -6.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0229 -7.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0468 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2626 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4354 -7.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7455 -6.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6855 -7.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7071 -7.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1753 -5.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0646 -7.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 1 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n9\n\n$$$$\nBicyclo[5-2-1]decane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 8.3634 -6.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5495 -7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5102 -6.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2905 -6.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0719 -5.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2732 -5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9866 -6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6733 -7.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5735 -7.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5254 -5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 1 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 3 1 0 0 0\n 4 10 1 0 0 0\n 3 10 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nBicyclo[3-3-3]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.9074 -6.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8681 -5.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8403 -6.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1527 -6.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4592 -6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0797 -7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8576 -7.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5146 -7.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4171 -7.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3203 -6.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7496 -5.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 1 4 1 0 0 0\n 3 6 1 0 0 0\n 5 8 1 0 0 0\n 6 9 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 4 10 1 0 0 0\n 10 7 1 0 0 0\n 11 5 1 0 0 0\n 11 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n5\n\n> <bondid>\n3\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.6205 -6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4403 -6.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1378 -5.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0284 -5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2020 -5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5071 -6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5718 -6.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0916 -5.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2122 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1122 -5.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5429 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\n 11 6 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.3641 -7.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6057 -7.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3457 -7.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0778 -6.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1454 -6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4502 -7.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2932 -7.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1606 -7.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1660 -5.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0543 -6.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5281 -6.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 5 1 0 0 0\n 9 5 1 0 0 0\n 10 8 1 0 0 0\n 10 7 1 0 0 0\n 11 6 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n9\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.7033 -5.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5086 -5.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2474 -5.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3085 -7.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2474 -7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7831 -6.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3333 -6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9996 -5.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4180 -4.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7872 -5.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9628 -5.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 9 1 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 11 3 1 0 0 0\n 11 9 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n9\n\n$$$$\nBicyclo[4-3-2]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 9.5890 -6.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0222 -6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0821 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3408 -5.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5198 -6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8056 -6.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6729 -6.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7305 -6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4155 -4.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0302 -6.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7926 -5.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\n 3 9 1 0 0 0\n 1 2 1 0 0 0\n 10 2 1 0 0 0\n 10 7 1 0 0 0\n 11 1 1 0 0 0\n 11 9 1 0 0 0\n 1 6 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.3728 -6.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5265 -6.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7360 -7.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7807 -7.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6269 -7.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4231 -6.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6410 -5.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3196 -6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5235 -7.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6773 -7.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2693 -6.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.9403 -6.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8374 -6.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0510 -7.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1162 -7.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9789 -7.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7711 -6.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9934 -5.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5477 -6.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9126 -7.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0498 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8001 -6.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 8.3680 -5.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7511 -6.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9725 -6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5503 -6.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4446 -5.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2291 -5.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4595 -4.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0708 -5.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4489 -5.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5546 -6.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2957 -5.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 7 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[5-3-1]undecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 7.4699 -5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9044 -6.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8921 -6.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7678 -6.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5569 -5.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3072 -5.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4607 -5.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1456 -5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8448 -6.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7887 -6.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7825 -4.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 1 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 4 1 0 0 0\n 5 11 1 0 0 0\n 4 11 1 0 0 0\n 2 1 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.9693 -5.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0472 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2754 -6.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4140 -6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3360 -6.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1138 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1109 -4.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1806 -5.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4028 -6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4808 -6.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0361 -5.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3405 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 6.8935 -6.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6766 -5.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9121 -6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0877 -6.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0396 -6.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8103 -5.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8078 -4.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7709 -5.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1734 -6.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2215 -6.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9457 -6.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0429 -5.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[4-4-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 6.5042 -6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8305 -7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0721 -7.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7035 -7.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6802 -6.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4449 -6.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4449 -4.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4564 -6.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8695 -6.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8927 -6.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6100 -6.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6889 -5.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\n 10 9 1 0 0 0\n 5 10 1 0 0 0\n 11 6 1 0 0 0\n 12 5 1 0 0 0\n 12 7 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n1\n\n$$$$\nBicyclo[5-3-2]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.9640 -5.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3691 -6.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4082 -6.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3295 -6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0216 -5.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8969 -5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1103 -5.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8309 -6.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5145 -6.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4035 -6.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0255 -4.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3287 -5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 1 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 4 1 0 0 0\n 2 1 1 0 0 0\n 11 5 1 0 0 0\n 12 4 1 0 0 0\n 11 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nBicyclo[5-4-1]dodecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 13 0 0 0 999 V2000\n 7.7173 -5.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8210 -5.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0428 -6.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1495 -6.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0457 -5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8297 -5.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5976 -4.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7781 -5.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4790 -5.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1712 -6.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0905 -6.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0605 -4.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 6 12 1 0 0 0\n 5 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n7\n\n$$$$\nBicyclo[5-3-3]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 8.4981 -5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2280 -4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0887 -4.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2012 -4.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4418 -5.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8730 -6.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7468 -5.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9461 -5.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4646 -4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5590 -4.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1539 -5.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8112 -6.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5669 -6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 4 3 1 0 0 0\n 2 4 1 0 0 0\n 5 6 1 0 0 0\n 7 1 1 0 0 0\n 8 7 1 0 0 0\n 8 6 1 0 0 0\n 1 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 5 1 0 0 0\n 3 5 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n10\n\n> <bondid>\n9\n\n$$$$\nBicyclo[5-4-2]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 7.4687 -5.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5107 -5.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7478 -6.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9306 -6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8885 -6.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6576 -5.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4784 -5.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7402 -5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4893 -5.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1604 -6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0052 -6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6549 -4.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8882 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 12 6 1 0 0 0\n 13 5 1 0 0 0\n 13 12 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n7\n\n$$$$\nBicyclo[5-5-1]tridecane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 14 0 0 0 999 V2000\n 7.5850 -5.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5169 -6.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6632 -7.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8369 -7.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7693 -6.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5517 -6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3258 -5.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5160 -5.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2226 -6.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9123 -6.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8227 -7.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7845 -5.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0774 -6.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 6 1 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 5 1 0 0 0\n 6 12 1 0 0 0\n 5 12 1 0 0 0\n 13 3 1 0 0 0\n 13 2 1 0 0 0\nM END\n> <group>\nBicycles\n\n> <atomid>\n8\n\n> <bondid>\n6\n\n$$$$\nAdamantane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 7.5634 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4530 -6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4530 -5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9968 -4.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1070 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1070 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9968 -6.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8866 -5.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3428 -6.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8866 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 4 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 2 9 1 0 0 0\n 1 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 5 6 1 0 0 0\n 8 10 1 0 0 0\n 2 3 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nCubane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 12 0 0 0 999 V2000\n 7.9520 -5.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6899 -4.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6650 -6.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9597 -6.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9872 -5.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2488 -5.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4012 -5.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6964 -6.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 3 1 1 0 0 0\n 1 6 1 0 0 0\n 2 5 1 0 0 0\n 7 2 1 0 0 0\n 3 4 1 0 0 0\n 7 3 1 0 0 0\n 4 6 1 0 0 0\n 8 4 1 0 0 0\n 5 6 1 0 0 0\n 8 5 1 0 0 0\n 8 7 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n7\n\n> <bondid>\n11\n\n$$$$\nPrismane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 9 0 0 0 999 V2000\n 7.7612 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0907 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1698 -4.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1678 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0887 -5.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7593 -5.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 3 1 1 0 0 0\n 3 2 1 0 0 0\n 4 5 1 0 0 0\n 4 6 1 0 0 0\n 5 6 1 0 0 0\n 1 6 1 0 0 0\n 3 4 1 0 0 0\n 2 5 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n3\n\n> <bondid>\n7\n\n$$$$\nTwistane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 10.9227 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6642 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5688 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8274 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7871 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5284 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6238 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8825 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7835 -5.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6165 -5.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 4 1 0 0 0\n 3 4 1 0 0 0\n 5 6 1 0 0 0\n 7 5 1 0 0 0\n 8 7 1 0 0 0\n 9 3 1 0 0 0\n 9 6 1 0 0 0\n 10 1 1 0 0 0\n 10 8 1 0 0 0\n 1 6 1 0 0 0\n 3 8 1 0 0 0\nM END\n> <group>\nBridged Polycyclics\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\n12-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n 9.6950 -4.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6961 -3.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7230 -3.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4895 -2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4888 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2724 -3.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3039 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3039 -5.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2718 -5.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4935 -6.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4934 -6.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7126 -5.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 1 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n13-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 0 0 999 V2000\n 6.2108 -5.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2098 -4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1789 -6.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1735 -4.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3479 -7.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3527 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3428 -7.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3459 -3.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7617 -6.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7571 -4.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7493 -6.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7528 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2902 -5.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 13 1 0 0 0\n 1 2 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n14-Crown-4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 11.4453 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9013 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9150 -5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9132 -4.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9274 -5.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5059 -3.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5286 -6.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4978 -3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5308 -6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1114 -4.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1336 -5.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1388 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1473 -5.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6047 -5.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n15-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 15 0 0 0 999 V2000\n 9.3051 -3.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1168 -4.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4997 -4.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8472 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6861 -3.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6483 -5.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8859 -4.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3419 -6.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1594 -5.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3292 -6.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3517 -5.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0217 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6728 -6.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0073 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6647 -6.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 15 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n16-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 16 0 0 0 999 V2000\n 10.1579 -7.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3604 -8.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8558 -7.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5517 -7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6502 -6.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7522 -8.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4079 -5.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9519 -7.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3921 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2224 -7.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3715 -4.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3998 -6.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4688 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5949 -5.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5786 -4.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5857 -5.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 16 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n17-Crown-5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 0 0 999 V2000\n 11.0779 -6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1260 -6.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2569 -7.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4815 -7.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7011 -7.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8165 -7.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8151 -6.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8549 -6.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6443 -5.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4333 -4.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3911 -5.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9204 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9543 -4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4969 -5.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4504 -4.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2557 -5.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1487 -7.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 6 7 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 10 11 1 0 0 0\n 15 16 1 0 0 0\n 14 15 1 0 0 0\n 16 1 1 0 0 0\n 2 17 1 0 0 0\n 17 3 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n18-Crown-6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 12.0989 -6.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0984 -7.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1742 -7.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2561 -8.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3671 -9.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5542 -8.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7470 -9.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8655 -8.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9673 -7.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0511 -7.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0591 -6.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9807 -6.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8891 -5.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7538 -4.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5585 -5.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3625 -4.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2539 -5.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1740 -6.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 15 16 1 0 0 0\n 1 18 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n20-Crown-6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 20 0 0 0 999 V2000\n 12.9696 -6.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4562 -7.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4568 -5.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4567 -7.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4506 -5.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2686 -8.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2545 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3166 -8.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3019 -4.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5590 -8.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5486 -5.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7892 -4.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8656 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8443 -4.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6577 -7.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6557 -5.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6451 -7.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6382 -5.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1304 -6.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8033 -8.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 11 12 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 18 19 1 0 0 0\n 12 14 1 0 0 0\n 13 20 1 0 0 0\n 10 20 1 0 0 0\n 3 1 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n21-Crown-7\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 21 21 0 0 0 999 V2000\n 9.2476 -4.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3448 -4.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3272 -5.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3374 -5.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0975 -6.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8706 -7.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4253 -8.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0491 -8.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0215 -8.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4631 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4605 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8988 -8.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8812 -8.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5114 -8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7121 -4.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8084 -4.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0256 -4.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1044 -7.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7139 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9025 -6.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6937 -5.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 11 12 1 0 0 0\n 15 16 1 0 0 0\n 16 17 1 0 0 0\n 1 17 1 0 0 0\n 14 18 1 0 0 0\n 19 15 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 21 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\n24-Crown-8\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 24 24 0 0 0 999 V2000\n 9.0714 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5688 -8.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0589 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5317 -9.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5767 -8.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2612 -8.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6218 -8.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9970 -7.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9000 -8.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8824 -6.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1947 -7.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8855 -5.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3145 -6.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0044 -5.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3384 -5.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2885 -4.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2280 -5.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5636 -3.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9695 -4.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6083 -4.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7013 -3.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1273 -3.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6397 -4.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1264 -3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 15 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 24 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n27-Crown-9\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 27 27 0 0 0 999 V2000\n 12.8715 -5.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4227 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3172 -4.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2176 -6.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3116 -4.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0558 -7.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0873 -3.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1143 -8.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2476 -9.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3689 -4.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6009 -3.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1290 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5183 -9.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6486 -3.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9884 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4426 -9.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4301 -4.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9807 -10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4253 -4.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4473 -9.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8996 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5287 -9.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3912 -6.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7155 -9.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6324 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8191 -8.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8489 -7.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 8 9 1 0 0 0\n 10 11 1 0 0 0\n 10 12 1 0 0 0\n 11 14 1 0 0 0\n 13 15 1 0 0 0\n 13 16 1 0 0 0\n 14 17 1 0 0 0\n 15 18 1 0 0 0\n 17 19 1 0 0 0\n 18 20 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 25 1 0 0 0\n 24 26 1 0 0 0\n 26 27 1 0 0 0\n 12 7 1 0 0 0\n 9 16 1 0 0 0\n 27 25 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n$$$$\n30-Crown-10\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 30 30 0 0 0 999 V2000\n 10.5968 -3.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5443 -3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8344 -4.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7938 -4.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1029 -3.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7946 -4.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1487 -3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4230 -5.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8987 -4.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0643 -6.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9078 -4.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9365 -6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3013 -5.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9385 -7.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6787 -6.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0639 -8.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8115 -6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4322 -9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8115 -7.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8108 -10.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6722 -8.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8119 -9.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2940 -9.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5637 -10.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8989 -9.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5955 -11.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9003 -9.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1417 -10.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0967 -11.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8494 -10.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 4 6 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 14 16 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 19 1 0 0 0\n 19 21 1 0 0 0\n 20 22 1 0 0 0\n 21 23 1 0 0 0\n 22 24 1 0 0 0\n 23 25 1 0 0 0\n 24 26 1 0 0 0\n 27 28 1 0 0 0\n 29 30 1 0 0 0\n 5 7 1 0 0 0\n 18 20 1 0 0 0\n 25 27 1 0 0 0\n 28 29 1 0 0 0\n 26 30 1 0 0 0\n 15 13 1 0 0 0\n 5 3 1 0 0 0\nM END\n> <group>\nCrown Ethers\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nALA-D-Alanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 5 0 1 0 999 V2000\n 13.6701 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6701 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8003 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5335 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5335 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3999 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 1 0 0\n 2 4 1 0 0 0\n 4 5 2 0 0 0\n 4 6 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nARG-D-Arginine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 7 9 2 0 0 0\n 10 11 2 0 0 0\n 10 12 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nASN-D-Asparagine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nASP-D-Aspartic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nCYS-D-Cysteine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nGLN-D-Glutamine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLU-D-Glutamic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLY-Glycine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nHIS-D-Histidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 9 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nILE-D-Isoleucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 6 0 0\n 3 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLEU-D-Leucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLYS-D-Lysine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 1 0 0\n 6 8 1 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nMET-D-Methionine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 1 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPHE-D-Phenylalanine\n Ketcher 4 22514402D 1 1.00000 0.00000 0\n\n 12 12 0 0 1 0 0 0 0 0999 V2000\n 25.2012 -10.8254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0671 -11.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9332 -10.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9332 -9.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 27.7992 -11.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0671 -12.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2011 -12.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3373 -14.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2014 -13.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4702 -13.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3304 -12.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4676 -12.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 6 1 0 0 0\n 3 4 2 0 0 0\n 3 5 1 0 0 0\n 6 7 1 0 0 0\n 9 7 2 0 0 0\n 7 11 1 0 0 0\n 11 12 2 0 0 0\n 12 10 1 0 0 0\n 10 8 2 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nPRO-D-Proline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 3 2 1 1 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 3 7 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nSER-D-Serine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nTHR-D-Threonine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 1 0 0\n 2 4 1 0 0 0\n 4 5 1 1 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nTRP-D-Tryptophan\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 16 0 1 0 999 V2000\n 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 13 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 7 12 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 13 14 2 0 0 0\n 13 15 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n15\n\n$$$$\nTYR-D-Tyrosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 1 0 999 V2000\n 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0\n 2 3 1 0 0 0\n 2 11 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 10 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 7 9 1 0 0 0\n 9 10 2 0 0 0\n 11 12 2 0 0 0\n 11 13 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n8\n\n$$$$\nVAL-D-Valine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 1 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nD-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nD-Allose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.4194 -1.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9924 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4387 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0204 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4629 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0221 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4407 1.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1127 2.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2718 1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2093 0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2702 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1849 -0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 1 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Altrose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.4516 -1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0245 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4709 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0525 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4950 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0501 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4729 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1448 3.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3040 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2414 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3024 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2171 -0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Arabinose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.8949 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4593 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8995 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4675 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9005 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4667 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4723 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7192 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6437 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7111 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 1 0 0\n 2 10 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Erythrose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.1906 0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7523 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1844 1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7532 1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1786 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7458 3.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0034 1.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9299 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 4 7 1 6 0 0\n 3 8 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Erythrulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.1896 2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7907 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2449 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8481 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7539 2.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0537 1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9812 0.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3557 -0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 1 5 1 0 0 0\n 2 6 2 0 0 0\n 3 7 1 1 0 0\n 8 4 1 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n4\n\n> <bondid>\n3\n\n$$$$\nD-Fructose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.1480 1.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5728 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1297 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5540 0.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1105 -0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5532 -1.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1339 -1.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5796 2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3170 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3814 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2979 0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3622 -0.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 1 0 0\n 5 12 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Galactose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.8880 -0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4609 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9072 0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4890 0.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9315 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4907 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9093 2.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5812 3.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7403 2.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6779 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7387 0.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6535 0.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 6 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Glucose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.5186 -1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9457 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4995 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9178 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4754 1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9163 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4978 2.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8217 3.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6624 1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7249 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6639 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7491 -0.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 6 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Gulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.3047 -1.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8775 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3239 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9056 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3481 1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9073 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3260 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9978 3.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1570 1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0945 1.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1554 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0702 0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 6 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Idose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.7380 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3109 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7572 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3390 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7815 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3407 1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7593 2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4312 3.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5903 1.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5279 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5887 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5035 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 1 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Lyxose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.9033 0.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3348 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8987 1.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3307 2.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8977 2.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3273 3.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3259 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0749 2.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1504 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0829 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 6 0 0\n 3 9 1 1 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Mannose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.9005 -1.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4734 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9197 -0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5015 0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9440 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5032 1.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9218 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5937 3.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7528 1.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6904 1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7512 0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6660 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 6 0 0\n 4 11 1 6 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Psicose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.1455 2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7122 2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1459 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7164 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1511 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6999 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1099 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7230 3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9598 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8942 1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9639 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8992 0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 6 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Ribose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.4471 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8828 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4426 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8747 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4417 2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8713 2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8696 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6188 1.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6943 1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6268 0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 6 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Ribulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.1689 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6004 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1643 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5963 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1633 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5929 2.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4160 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5914 -1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3485 0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3252 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 3 7 1 6 0 0\n 1 8 1 0 0 0\n 2 9 1 1 0 0\n 4 10 2 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Sorbose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -3.8077 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3743 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8123 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3785 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8133 -0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3620 -0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7721 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3851 3.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6219 1.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5564 1.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6301 0.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5573 -0.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 1 0 0\n 4 11 1 1 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Tagatose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -5.3565 3.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7786 2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3570 1.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7842 0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3640 -0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7622 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3090 -1.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7930 4.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7752 2.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3552 1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7806 0.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3619 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 1 8 1 0 0 0\n 2 9 2 0 0 0\n 3 10 1 6 0 0\n 4 11 1 1 0 0\n 5 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\nD-Talose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n -4.0547 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6275 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0739 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6556 1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0981 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6573 2.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0760 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7478 3.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9070 2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8445 1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9054 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8202 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 1 0 0\n 5 10 1 6 0 0\n 4 11 1 1 0 0\n 3 12 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Threose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n -4.7339 0.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3006 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7343 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3045 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.7353 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3079 3.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5548 2.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4800 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 4 7 1 1 0 0\n 3 8 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nD-Xylose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -3.7801 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2157 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7755 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2075 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7745 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2083 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2027 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9517 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0272 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9597 0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 2 0 0 0\n 1 7 1 0 0 0\n 4 8 1 1 0 0\n 3 9 1 1 0 0\n 2 10 1 1 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n6\n\n> <bondid>\n5\n\n$$$$\nD-Xylulose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n -2.9398 -0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3754 0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9352 0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3672 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9342 2.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3638 2.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1827 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3623 -0.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1235 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1002 1.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 3 7 1 1 0 0\n 1 8 1 0 0 0\n 2 9 1 1 0 0\n 4 10 2 0 0 0\nM END\n> <group>\nD-Sugars\n\n> <atomid>\n7\n\n> <bondid>\n6\n\n$$$$\n1_2_3-Oxadiazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nDioxane\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nFuran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n0\n\n$$$$\nImidazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nIndole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 6.3344 -5.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0524 -7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 9 2 0 0 0\n 7 8 1 0 0 0\n 2 9 1 0 0 0\n 4 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n6\n\n> <bondid>\n6\n\n$$$$\nIsoquinoline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3584 -6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0717 -6.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 2 4 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 7 2 0 0 0\n 9 10 2 0 0 0\n 10 8 1 0 0 0\n 4 9 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n8\n\n> <bondid>\n0\n\n$$$$\nIsoxazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nMorpholine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n1\n\n$$$$\nOxazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nPiperazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n1\n\n$$$$\nPiperidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 3.0000 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7160 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4320 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4320 -9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7160 -9.0964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPurine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 10 0 0 0 999 V2000\n 6.3344 -5.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -5.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0506 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7641 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3344 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0524 -7.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4800 -7.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -6.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1974 -5.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 9 2 0 0 0\n 7 8 1 0 0 0\n 2 9 1 0 0 0\n 4 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n6\n\n> <bondid>\n7\n\n$$$$\nPyran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.2090 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2090 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -4.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6410 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9250 -3.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nPyrazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n2\n\n$$$$\nPyrazol\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyridazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPyridine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n3\n\n> <bondid>\n1\n\n$$$$\nPyridone\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -4.5982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 2 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n5\n\n> <bondid>\n5\n\n$$$$\nPyrimidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n1\n\n$$$$\nPyrole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.6685 -10.0843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2553 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0817 -8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3370 -9.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n$$$$\nPyrone\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 5.2590 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2590 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6910 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9750 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5430 -4.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 1 7 2 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n4\n\n$$$$\nPyrrolidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n1\n\n> <bondid>\n2\n\n$$$$\nQuinoline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 7.2094 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9256 -5.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6391 -6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2094 -6.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9274 -6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3533 -5.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0698 -5.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3584 -6.9529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0717 -6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 2 4 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\n 8 7 2 0 0 0\n 9 10 2 0 0 0\n 10 8 1 0 0 0\n 4 9 1 0 0 0\n 2 7 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n9\n\n> <bondid>\n8\n\n$$$$\nTetrahydrofuran\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n2\n\n$$$$\nTetrahydrothiophene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.7210 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3632 -3.3980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0779 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8532 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0171 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n2\n\n> <bondid>\n2\n\n$$$$\nTetrazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nThiophene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n4\n\n> <bondid>\n3\n\n$$$$\nTriazine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 6.4094 -4.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1256 -3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8391 -4.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4094 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1274 -5.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n3\n\n> <bondid>\n1\n\n$$$$\nTriazole\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 4.9500 -4.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2815 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5368 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3632 -2.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6185 -3.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 2 0 0 0\n 1 2 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\nM END\n> <group>\nHeterocyclic Rings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nALA-L-Alanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 5 0 1 0 999 V2000\n 13.6700 -6.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6700 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8002 -5.3251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5334 -5.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5334 -4.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3998 -5.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 6 0 0\n 2 4 1 0 0 0\n 4 5 2 0 0 0\n 4 6 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n0\n\n$$$$\nARG-L-Arginine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 11 0 1 0 999 V2000\n 12.0694 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7765 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5148 -5.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5506 -6.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2934 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3248 -7.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0676 -8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1033 -8.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7747 -9.0745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7407 -4.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0024 -3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4467 -5.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 7 9 2 0 0 0\n 10 11 2 0 0 0\n 10 12 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nASN-L-Asparagine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.8319 -5.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6977 -5.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6989 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8342 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8321 -8.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9683 -6.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5657 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5645 -4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4317 -5.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nASP-L-Aspartic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 10.7814 -5.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6474 -6.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6486 -7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7839 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7818 -8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9179 -7.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5154 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5142 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3821 -6.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 7 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 4 6 2 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n4\n\n$$$$\nCYS-L-Cysteine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 6.9511 -4.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8205 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9511 -6.6987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -4.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6834 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5489 -5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nGLN-L-Glutamine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.1341 -5.3758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0002 -5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0015 -6.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1332 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1344 -8.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2695 -8.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0006 -8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8673 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7305 -5.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLU-L-Glutamic acid\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 11.4591 -5.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3252 -5.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3265 -6.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4582 -7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4594 -8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5945 -8.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3256 -8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1902 -5.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1923 -4.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0555 -5.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 5 7 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nGLY-Glycine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 4 0 0 0 999 V2000\n 10.6670 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8010 -6.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3990 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5331 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n2\n\n> <bondid>\n1\n\n$$$$\nHIS-L-Histidine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 1 0 999 V2000\n 11.4910 -6.5739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3584 -7.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3572 -8.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4919 -8.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3861 -9.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4100 -9.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9104 -8.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5750 -8.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2237 -6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2217 -5.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0896 -7.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 9 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 9 10 2 0 0 0\n 9 11 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nILE-L-Isoleucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.8001 -9.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8020 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6668 -8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5327 -8.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6656 -7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7997 -6.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5336 -6.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5324 -5.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4003 -7.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 1 0 0\n 3 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLEU-L-Leucine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 12.2568 -9.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2588 -8.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3929 -7.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1235 -7.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1224 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2564 -6.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9903 -6.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9891 -5.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8571 -6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nLYS-L-Lysine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 9 0 1 0 999 V2000\n 10.6692 -9.3254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6712 -8.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5358 -7.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5346 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4025 -6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4013 -5.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5355 -4.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2659 -4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2679 -3.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1308 -5.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 6 0 0\n 6 8 1 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n0\n\n$$$$\nMET-L-Methionine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 8 0 1 0 999 V2000\n 11.6195 -9.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4844 -9.3267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4832 -8.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3515 -7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3502 -6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4841 -6.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2152 -6.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2173 -5.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0805 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 6 0 0\n 5 7 1 0 0 0\n 7 8 2 0 0 0\n 7 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n5\n\n> <bondid>\n0\n\n$$$$\nPHE-L-Phenylalanine\n Ketcher 4 22514402D 1 1.00000 0.00000 0\n\n 12 12 0 0 1 0 0 0 0 0999 V2000\n 25.2012 -10.8254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0671 -11.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9332 -10.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.9332 -9.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 27.7992 -11.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 26.0671 -12.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2011 -12.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3373 -14.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2014 -13.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4702 -13.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3304 -12.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.4676 -12.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 6 1 0 0 0\n 3 4 2 0 0 0\n 3 5 1 0 0 0\n 6 7 1 0 0 0\n 9 7 2 0 0 0\n 7 11 1 0 0 0\n 11 12 2 0 0 0\n 12 10 1 0 0 0\n 10 8 2 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nPRO-L-Proline\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 1 0 999 V2000\n 10.6969 -1.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6956 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8298 -3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7240 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7473 -4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2474 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9124 -2.7903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4026 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0\n 3 2 1 6 0 0\n 2 8 1 0 0 0\n 3 4 1 0 0 0\n 3 7 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n6\n\n> <bondid>\n2\n\n$$$$\nSER-L-Serine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 6 0 1 0 999 V2000\n 10.3261 -6.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1955 -8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3261 -8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0584 -5.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9239 -7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 5 1 0 0 0\n 3 4 1 0 0 0\n 5 6 2 0 0 0\n 5 7 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n3\n\n$$$$\nTHR-L-Threonine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 11.5255 -8.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -8.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3953 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5255 -6.1252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2586 -5.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1245 -6.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 6 0 0\n 2 4 1 0 0 0\n 4 5 1 6 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nTRP-L-Tryptophan\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 16 0 1 0 999 V2000\n 11.9929 -5.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8877 -5.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9408 -6.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0974 -7.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1680 -6.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5350 -7.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0834 -8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0497 -8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7565 -9.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4968 -9.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5306 -10.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8239 -9.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7230 -5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6717 -4.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6150 -5.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 13 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 8 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 2 0 0 0\n 7 12 1 0 0 0\n 8 9 1 0 0 0\n 9 10 2 0 0 0\n 10 11 1 0 0 0\n 11 12 2 0 0 0\n 13 14 2 0 0 0\n 13 15 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n15\n\n$$$$\nTYR-L-Tyrosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 1 0 999 V2000\n 12.5019 -5.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3670 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3658 -7.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4995 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5016 -8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6354 -9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7671 -8.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9008 -9.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7683 -7.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6344 -7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2333 -5.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2344 -4.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0992 -6.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0\n 2 3 1 0 0 0\n 2 11 1 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 4 10 1 0 0 0\n 5 6 1 0 0 0\n 6 7 2 0 0 0\n 7 8 1 0 0 0\n 7 9 1 0 0 0\n 9 10 2 0 0 0\n 11 12 2 0 0 0\n 11 13 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n0\n\n> <bondid>\n8\n\n$$$$\nVAL-L-Valine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 7 0 1 0 999 V2000\n 10.8255 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -8.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6953 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8255 -6.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5586 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4245 -7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 2 4 1 0 0 0\n 4 5 1 6 0 0\n 4 6 1 0 0 0\n 6 7 2 0 0 0\n 6 8 1 0 0 0\nM END\n> <group>\nL-Amino Acids\n\n> <atomid>\n4\n\n> <bondid>\n0\n\n$$$$\nAdenine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 11 0 0 0 999 V2000\n 3.4903 -2.0759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 -1.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9070 -2.2584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4956 -0.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8834 -0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6333 -1.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6333 -0.9769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8834 0.2478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 5 8 2 0 0 0\n 7 9 2 0 0 0\n 7 10 1 0 0 0\n 4 6 1 0 0 0\n 8 9 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nCytosine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 3.7084 -1.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4211 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4211 -0.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1335 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7050 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7050 0.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 2 0 0 0\n 7 8 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nGuanine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 12 0 0 0 999 V2000\n 3.4897 0.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1974 1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9066 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5004 1.7668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6377 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6377 1.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8887 2.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3288 0.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 2 0 0 0\n 2 5 1 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 5 8 2 0 0 0\n 7 9 1 0 0 0\n 7 10 2 0 0 0\n 4 6 1 0 0 0\n 8 9 1 0 0 0\n 8 11 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nThymine\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 9 0 0 0 999 V2000\n 2.4396 -1.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1523 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7188 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1523 -0.3502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8646 -1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7189 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4364 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4364 0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0104 0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\n 6 9 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nUracil\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 3.7124 -0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4252 -0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 -0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4252 0.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1458 -0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7092 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7092 1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 2 5 2 0 0 0\n 3 6 2 0 0 0\n 4 7 1 0 0 0\n 7 8 2 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nRibose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 1 0 999 V2000\n 3.6483 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6483 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6030 -2.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -2.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2479 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9582 -4.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7706 -2.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5685 -3.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6483 -3.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 1 0 0\n 5 6 1 1 0 0\n 2 6 1 1 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 9 1 0 0 0\n 5 10 1 0 0 0\n 4 11 1 0 0 0\n 11 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n11\n\n$$$$\nDeoxyribose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 6 1 0 0 0\n 6 5 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 2 3 1 0 0 0\n 2 1 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 5 9 1 0 0 0\n 4 10 1 0 0 0\n 4 11 1 0 0 0\n 3 12 1 0 0 0\n 3 13 1 0 0 0\n 2 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n7\n\n$$$$\nRibose monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 1 0 999 V2000\n 14.4831 -3.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4831 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4073 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -4.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0710 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -4.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7437 -6.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -4.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3426 -6.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4831 -5.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2261 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -4.3001 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4739 -4.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -3.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3520 -5.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 1 0 0\n 5 6 1 1 0 0\n 2 6 1 1 0 0\n 6 7 1 0 0 0\n 6 8 1 0 0 0\n 5 9 1 0 0 0\n 5 10 1 0 0 0\n 4 11 1 0 0 0\n 4 12 1 0 0 0\n 2 13 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 15 18 1 0 0 0\n 11 14 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n14\n\n$$$$\nDeoxyribose monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 11.5961 -4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -5.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4831 -5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5320 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -4.5909 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7798 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -3.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6579 -5.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3815 -6.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7965 -6.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -4.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1697 -6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5961 -6.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 2 6 1 0 0 0\n 6 5 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 2 3 1 0 0 0\n 2 1 1 0 0 0\n 5 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 9 11 2 0 0 0\n 9 12 1 0 0 0\n 5 13 1 0 0 0\n 4 14 1 0 0 0\n 4 15 1 0 0 0\n 3 16 1 0 0 0\n 3 17 1 0 0 0\n 2 18 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n0\n\n> <bondid>\n9\n\n$$$$\nAdenosine monophosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 23 25 0 1 0 999 V2000\n 13.0195 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6070 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4320 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6869 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6070 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6869 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9127 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9127 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4838 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7568 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4838 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2376 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1983 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4320 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n22\n\n> <bondid>\n24\n\n$$$$\nAdenosine diphosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 27 29 0 1 0 999 V2000\n 11.2820 -9.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8695 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6945 -10.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9494 -9.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8695 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 -9.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9494 -9.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -7.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1752 -8.0265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1752 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -9.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7463 -8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0193 -7.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7463 -8.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5001 -8.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4608 -6.7889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6945 -11.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9645 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -9.0650 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3145 -9.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4895 -9.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\n 23 24 1 0 0 0\n 24 25 2 0 0 0\n 24 26 1 0 0 0\n 24 27 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n26\n\n> <bondid>\n28\n\n$$$$\nAdenosine triphosphate\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 31 33 0 1 0 999 V2000\n 14.6695 -10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0020 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2570 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0820 -11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3369 -10.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2570 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0020 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3369 -10.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5627 -8.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5627 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -10.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1338 -9.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4068 -8.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1338 -8.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8876 -9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8483 -7.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0820 -12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7020 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8770 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -10.0181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -9.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0520 -10.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2270 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 5 1 0 0 0\n 2 3 1 1 0 0\n 2 7 1 0 0 0\n 3 4 1 1 0 0\n 3 6 1 0 0 0\n 5 4 1 1 0 0\n 5 9 1 0 0 0\n 7 8 1 0 0 0\n 14 9 1 0 0 0\n 9 17 1 0 0 0\n 10 11 2 0 0 0\n 10 16 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 12 13 2 0 0 0\n 13 14 1 0 0 0\n 16 14 2 0 0 0\n 15 16 1 0 0 0\n 15 17 2 0 0 0\n 4 19 1 0 0 0\n 8 20 1 0 0 0\n 20 21 2 0 0 0\n 20 22 1 0 0 0\n 20 23 1 0 0 0\n 23 24 1 0 0 0\n 24 25 2 0 0 0\n 24 26 1 0 0 0\n 24 27 1 0 0 0\n 27 28 1 0 0 0\n 28 29 2 0 0 0\n 28 30 1 0 0 0\n 28 31 1 0 0 0\nM END\n> <group>\nNucleobases\n\n> <atomid>\n30\n\n> <bondid>\n32\n\n$$$$\nBenzene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 0.6548 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0813 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3694 2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0813 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6548 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3712 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 1 2 0 0 0\n 4 2 2 0 0 0\n 1 5 1 0 0 0\n 2 3 1 0 0 0\n 5 6 2 0 0 0\n 6 4 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nBoat\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 5.8944 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4777 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4166 3.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9277 3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2722 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0277 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n3\n\n> <bondid>\n2\n\n$$$$\nChair\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 8.5333 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1166 6.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9111 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2555 6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0277 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6166 6.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair1\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 4.9944 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7388 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2777 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4055 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5333 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1166 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair2\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 10.4055 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6611 3.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1222 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9944 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8666 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2833 4.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nChair3\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 5.0777 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2000 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8222 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3611 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3277 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2388 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6166 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8666 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2000 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3611 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7777 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8222 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4055 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6166 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7 15 1 0 0 0\n 15 13 1 0 0 0\n 13 8 1 0 0 0\n 8 18 1 0 0 0\n 18 12 1 0 0 0\n 12 7 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\n 12 3 1 0 0 0\n 15 4 1 0 0 0\n 5 13 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 13 14 1 0 0 0\n 15 16 1 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nChair4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 10.4888 4.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 9.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3666 10.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7444 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2055 4.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2388 7.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4888 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0777 8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3277 7.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7000 7.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3666 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2055 6.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7888 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7444 6.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5333 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1611 8.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9500 7.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7 15 1 0 0 0\n 15 13 1 0 0 0\n 13 8 1 0 0 0\n 8 18 1 0 0 0\n 18 12 1 0 0 0\n 12 7 1 0 0 0\n 1 7 1 0 0 0\n 8 2 1 0 0 0\n 12 3 1 0 0 0\n 15 4 1 0 0 0\n 5 13 1 0 0 0\n 6 7 1 0 0 0\n 8 9 1 0 0 0\n 10 18 1 0 0 0\n 11 12 1 0 0 0\n 13 14 1 0 0 0\n 15 16 1 0 0 0\n 17 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n5\n\n$$$$\nCyclopentadiene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.8091 8.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6181 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3091 6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 5 1 0 0 0\n 2 3 2 0 0 0\n 3 1 1 0 0 0\n 4 2 1 0 0 0\n 5 4 2 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nCyclopentadiene\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 14.3500 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2160 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2160 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4840 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4840 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 4 5 2 0 0 0\n 5 1 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing3\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 3 3 0 0 0 999 V2000\n 2.6123 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6098 1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1111 2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing4\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 4 4 0 0 0 999 V2000\n 3.4956 1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4919 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4846 1.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4821 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 4 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 3.3632 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3649 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0647 2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6686 2.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8751 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 5 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing5\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 5 5 0 0 0 999 V2000\n 2.2500 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1160 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1160 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3840 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3840 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 1 1 0 0 0\n 4 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing6\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 6 6 0 0 0 999 V2000\n 2.5500 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5500 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4160 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2820 2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2820 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4160 4.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 6 1 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing7\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 999 V2000\n 21.4111 6.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1938 6.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1653 6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5987 5.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4166 5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.1660 4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1938 4.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 6 1 0 0 0\n 1 5 1 0 0 0\n 5 7 1 0 0 0\n 6 7 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing8\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 8 8 0 0 0 999 V2000\n 2.9268 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9270 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6288 3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6290 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6266 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3286 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3285 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6266 3.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 3 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing9\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 9 9 0 0 0 999 V2000\n 2.7667 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5972 3.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0962 4.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5313 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2993 2.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4693 3.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0364 4.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9746 4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 1 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 8 3 1 0 0 0\n 8 9 1 0 0 0\n 9 7 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing10\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 10 10 0 0 0 999 V2000\n 3.5215 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3132 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3132 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0493 2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7854 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7854 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5215 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2575 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2575 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0493 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8 9 1 0 0 0\n 3 10 1 0 0 0\n 10 6 1 0 0 0\n 5 4 1 0 0 0\n 4 2 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 2 3 1 0 0 0\n 9 1 1 0 0 0\n 1 5 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing11\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 11 11 0 0 0 999 V2000\n 3.7115 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6673 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8179 1.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7664 2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8179 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6382 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6721 4.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4599 3.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5335 3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4840 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 1 1 0 0 0\n 4 5 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing12\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 12 12 0 0 0 999 V2000\n 3.7276 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7247 1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9441 2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9082 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9040 3.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9232 3.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6929 4.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6906 4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4660 3.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5063 3.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5162 2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4980 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 3 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 11 12 1 0 0 0\n 12 1 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing13\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 13 13 0 0 0 999 V2000\n 3.2666 4.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4574 4.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9755 4.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7213 3.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0441 3.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6650 3.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0441 2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7099 2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9763 2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6652 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0491 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6845 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9051 1.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 13 1 0 0 0\n 1 2 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n12\n\n$$$$\nRing14\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 14 14 0 0 0 999 V2000\n 6.8995 3.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3539 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3678 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3685 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3883 2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9655 4.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9885 1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9602 4.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9932 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5727 3.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5892 2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5971 4.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6111 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0671 3.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 1 3 1 0 0 0\n 2 4 1 0 0 0\n 3 5 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 8 1 0 0 0\n 7 9 1 0 0 0\n 8 10 1 0 0 0\n 9 11 1 0 0 0\n 10 12 1 0 0 0\n 11 13 1 0 0 0\n 12 14 1 0 0 0\n 13 14 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing15\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 15 15 0 0 0 999 V2000\n 6.3839 2.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0478 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0286 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6750 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6672 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3752 1.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3912 2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1293 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9384 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6710 4.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4746 5.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2796 4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1008 5.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9121 4.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5968 3.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 1 15 1 0 0 0\nM END\n> <group>\nRings\n\n$$$$\nRing16\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 16 16 0 0 0 999 V2000\n 5.3307 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4647 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0006 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0006 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8666 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7326 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5987 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7326 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5987 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4647 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3307 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1967 2.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1967 3.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3307 4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9 3 1 0 0 0\n 3 1 1 0 0 0\n 1 13 1 0 0 0\n 10 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 2 1 0 0 0\n 2 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 12 11 1 0 0 0\n 11 10 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 16 12 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n1\n\n$$$$\nRing18\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 6.7675 4.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7675 3.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8338 2.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9136 1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0241 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2362 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4295 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5501 1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6379 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7034 3.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7024 4.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6366 4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5561 5.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4362 5.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2239 5.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0336 5.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9184 5.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8307 4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 3 4 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 10 11 1 0 0 0\n 7 8 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 11 12 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 15 16 1 0 0 0\n 1 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nRing20\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 20 20 0 0 0 999 V2000\n 5.1641 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4320 6.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 5.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0301 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0301 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1641 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4320 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2980 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8339 5.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8339 4.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7000 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6999 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5660 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3 2 1 0 0 0\n 5 4 1 0 0 0\n 4 3 1 0 0 0\n 7 1 1 0 0 0\n 1 6 1 0 0 0\n 6 5 1 0 0 0\n 10 8 1 0 0 0\n 8 9 1 0 0 0\n 9 7 1 0 0 0\n 12 11 1 0 0 0\n 11 10 1 0 0 0\n 20 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 12 1 0 0 0\n 2 16 1 0 0 0\n 16 17 1 0 0 0\n 17 18 1 0 0 0\n 18 19 1 0 0 0\n 19 20 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n13\n\n> <bondid>\n13\n\n$$$$\nRing21\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 21 21 0 0 0 999 V2000\n 13.0927 4.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7000 5.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7000 4.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4537 6.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4631 7.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5095 7.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5428 7.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5875 7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6370 7.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6419 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6614 3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6675 2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6235 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5583 2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5110 2.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4619 2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4601 3.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4049 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4047 4.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4478 4.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4480 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0\n 2 10 1 0 0 0\n 3 11 1 0 0 0\n 17 19 1 0 0 0\n 18 4 1 0 0 0\n 4 5 1 0 0 0\n 5 6 1 0 0 0\n 6 7 1 0 0 0\n 7 8 1 0 0 0\n 8 9 1 0 0 0\n 9 10 1 0 0 0\n 11 12 1 0 0 0\n 12 13 1 0 0 0\n 13 14 1 0 0 0\n 14 15 1 0 0 0\n 15 16 1 0 0 0\n 16 17 1 0 0 0\n 19 20 1 0 0 0\n 20 1 1 0 0 0\n 1 21 1 0 0 0\n 21 18 1 0 0 0\nM END\n> <group>\nRings\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n$$$$\nalpha-D-Allopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -4.1124 6.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6076 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5974 5.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4025 4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5974 6.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3373 4.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9974 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2076 5.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7775 5.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6076 3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1476 3.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4025 4.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1124 5.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7577 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7775 4.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9974 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8224 4.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 8 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 17 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Altropyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.8433 4.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3385 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.3283 3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1334 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.3283 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -8.0682 2.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7283 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9384 3.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5084 3.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3385 1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8784 2.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.1334 2.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8433 3.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4886 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5084 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7283 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5532 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 8 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 17 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Galactopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.4899 2.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9851 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9748 1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7800 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9748 2.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7148 1.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3749 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.1998 0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1550 1.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9851 -0.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5250 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7800 0.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4899 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1352 0.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1550 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3749 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5850 1.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Glucopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -7.7107 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2094 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.1903 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0088 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.1903 -0.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8273 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5674 -3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -8.3831 -2.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3908 -1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2094 -3.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.7680 -2.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0088 -2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7107 -1.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3937 -2.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3908 -1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5674 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.8923 -1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Gulopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -5.8152 3.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2901 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2952 2.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1052 2.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2952 3.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9101 2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6702 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5202 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4801 2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.2901 0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8551 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1052 1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8152 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4651 1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4801 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6702 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0302 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Idopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.0079 2.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4782 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4929 1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2981 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4929 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1031 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8630 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -6.6879 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6731 1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4782 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0431 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.2981 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0079 1.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6533 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6731 0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.8630 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.2329 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 6 4 1 0 0 0\n 3 5 1 0 0 0\n 3 17 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Mannopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -5.5581 1.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0527 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0375 0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8565 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0375 1.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7441 0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4199 -1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2352 0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2339 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0527 -1.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6161 -0.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8565 -0.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.5581 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2325 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2339 0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4199 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6705 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nalpha-D-Talopyranose\n Ketcher 11161713142D 1 1.00000 0.00000 0\n\n 17 17 0 1 0 999 V2000\n -6.3613 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8363 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8414 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6514 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8414 0.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5764 -1.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2164 -2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0414 -1.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0263 -0.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8363 -2.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4013 -2.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6514 -1.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3613 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0113 -1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0263 -1.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.2164 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4562 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17 2 1 0 0 0\n 2 15 1 1 0 0\n 3 16 1 1 0 0\n 3 4 1 0 0 0\n 17 4 1 0 0 0\n 3 5 1 0 0 0\n 3 6 1 0 0 0\n 7 16 1 0 0 0\n 8 16 1 0 0 0\n 9 15 1 0 0 0\n 2 10 1 0 0 0\n 11 15 1 0 0 0\n 4 12 1 0 0 0\n 4 13 1 0 0 0\n 2 14 1 0 0 0\n 15 16 1 1 0 0\n 13 1 1 0 0 0\nM END\n> <group>\nSugars\n\n> <atomid>\n9\n\n> <bondid>\n16\n\n$$$$\nfullerene C60\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 60 90 0 0 0 999 V2000\n 8.1533 -10.1609 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5120 -9.2753 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7211 -9.6737 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4284 -7.8924 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6441 -6.9280 1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8106 -9.6782 2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0295 -8.7030 3.0509 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9469 -7.3351 2.7388 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6766 -11.1024 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1155 -11.5835 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9755 -10.1416 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8475 -11.1110 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6349 -10.8139 1.9708 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1564 -11.7548 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9409 -11.4548 2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6874 -10.9874 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0739 -8.9381 -2.1897 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7682 -9.8885 -1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6696 -9.0654 -2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0644 -10.9756 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3595 -11.3790 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7598 -9.2142 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0558 -9.6210 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3611 -10.6974 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4123 -6.6547 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8008 -6.5277 -1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8430 -7.9304 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6373 -7.6755 -1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6791 -7.8462 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0147 -5.5656 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0674 -5.7391 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8951 -6.8726 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9892 -7.4108 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5523 -6.1489 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6396 -8.3057 -1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7701 -5.7695 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7608 -5.0959 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3383 -5.8515 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3403 -5.1700 1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5444 -4.7952 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5476 -6.3919 2.2132 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8535 -5.4411 1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5858 -4.9664 1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9810 -6.8781 3.4234 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7114 -9.1401 2.8425 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2717 -8.6582 1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1904 -7.2758 1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0632 -8.2456 3.7369 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2924 -9.8955 4.0975 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9320 -10.7811 3.2133 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1480 -10.4012 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8614 -8.6206 4.3621 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6340 -7.6127 4.2389 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0720 -8.8741 3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9055 -10.0226 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0361 -7.4850 4.4331 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0254 -5.4466 3.0771 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6379 -5.5719 2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9380 -6.6611 3.4734 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7278 -6.4079 3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 1 0 0 0 0\n 1 12 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 6 1 0 0 0 0\n 3 11 2 0 0 0 0\n 3 35 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 33 1 0 0 0 0\n 5 8 1 0 0 0 0\n 5 38 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 13 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 54 1 0 0 0 0\n 8 59 2 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 9 20 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 14 1 0 0 0 0\n 11 19 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 16 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 21 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 50 1 0 0 0 0\n 16 55 2 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 2 0 0 0 0\n 17 28 1 0 0 0 0\n 18 20 2 0 0 0 0\n 18 22 1 0 0 0 0\n 19 27 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 24 2 0 0 0 0\n 22 23 2 0 0 0 0\n 22 29 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 46 1 0 0 0 0\n 24 51 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 2 0 0 0 0\n 25 36 1 0 0 0 0\n 26 28 2 0 0 0 0\n 26 30 1 0 0 0 0\n 27 35 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 32 2 0 0 0 0\n 30 31 2 0 0 0 0\n 30 37 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 42 1 0 0 0 0\n 32 47 1 0 0 0 0\n 33 34 1 0 0 0 0\n 33 35 2 0 0 0 0\n 34 36 2 0 0 0 0\n 34 38 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 40 2 0 0 0 0\n 38 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 39 58 1 0 0 0 0\n 40 43 1 0 0 0 0\n 41 42 1 0 0 0 0\n 41 44 2 0 0 0 0\n 41 47 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 57 1 0 0 0 0\n 44 48 1 0 0 0 0\n 44 60 1 0 0 0 0\n 45 46 1 0 0 0 0\n 45 48 2 0 0 0 0\n 45 51 1 0 0 0 0\n 46 47 2 0 0 0 0\n 48 52 1 0 0 0 0\n 49 50 1 0 0 0 0\n 49 52 2 0 0 0 0\n 49 55 1 0 0 0 0\n 50 51 2 0 0 0 0\n 52 56 1 0 0 0 0\n 53 54 2 0 0 0 0\n 53 56 1 0 0 0 0\n 53 59 1 0 0 0 0\n 54 55 1 0 0 0 0\n 56 60 2 0 0 0 0\n 57 58 2 0 0 0 0\n 57 60 1 0 0 0 0\n 58 59 1 0 0 0 0\nM END\n> <group>\n3D Templates\n\n> <atomid>\n18\n\n> <bondid>\n34\n\n$$$$\nadamantane\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 10 12 0 0 0 999 V2000\n 15.2172 -8.1314 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4398 -7.4133 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2919 -8.3429 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9004 -9.6792 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6785 -10.3958 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8276 -9.4680 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8081 -9.1570 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0325 -8.4390 -1.8401 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4215 -7.1042 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8828 -9.3683 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 4 10 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 9 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 10 1 0 0 0 0\n 2 3 1 0 0 0 0\nM END\n> <group>\n3D Templates\n\n> <atomid>\n1\n\n> <bondid>\n0\n$$$$\ncubane\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 8 12 0 0 0 999 V2000\n 10.5569 -9.9029 4.2925 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2017 -9.5628 4.9812 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5825 -8.4868 3.6463 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3483 -7.9339 4.8851 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9705 -9.0155 6.2193 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3256 -9.3519 5.5298 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2296 -8.1444 4.3386 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9966 -7.5972 5.5784 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 1 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 5 1 0 0 0 0\n 7 2 1 0 0 0 0\n 3 4 1 0 0 0 0\n 7 3 1 0 0 0 0\n 4 6 1 0 0 0 0\n 8 4 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 5 1 0 0 0 0\n 8 7 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\n3D Templates\n\n$$$$\nring 6 boat\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 11.2934 -7.8385 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2480 -6.3919 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1209 -8.2282 2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5795 -10.2283 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2777 -9.8706 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5448 -7.5081 -2.7767 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7930 -7.7993 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8567 -7.8369 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7961 -6.3928 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0357 -7.4556 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7535 -9.8351 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0584 -10.2582 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.6187 -8.3063 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6881 -8.3653 -1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2260 -8.3597 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9985 -8.7537 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5364 -8.7481 1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3614 -7.8158 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 7 1 0 0 0 0\n 3 16 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 14 1 0 0 0 0\n 6 14 1 0 0 0 0\n 7 14 1 0 0 0 0\n 7 16 1 0 0 0 0\n 8 18 1 0 0 0 0\n 9 18 1 0 0 0 0\n 10 15 1 0 0 0 0\n 11 15 1 0 0 0 0\n 12 17 1 0 0 0 0\n 13 17 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 18 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 7 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n17\n\n> <group>\n3D Templates\n\n$$$$\nring 6 chair\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 18 18 0 0 0 999 V2000\n 6.4738 -5.6532 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4541 -4.2314 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2774 -5.9986 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7022 -8.0409 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4210 -7.7512 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7429 -5.4159 -2.7877 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0262 -7.2017 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0549 -8.6186 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6856 -6.5861 1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7917 -7.4939 2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0968 -5.1271 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1503 -6.5687 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3966 -6.2651 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5752 -7.1963 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8371 -4.7668 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2658 -6.7684 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8611 -6.2475 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9719 -5.6379 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 18 1 0 0 0 0\n 3 12 1 0 0 0 0\n 4 12 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 17 1 0 0 0 0\n 7 14 1 0 0 0 0\n 8 14 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 9 12 1 0 0 0 0\n 9 14 1 0 0 0 0\n 12 18 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 13 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM END\n> <atomid>\n0\n\n> <bondid>\n17\n\n> <group>\n3D Templates\n\n$$$$\nFerrocene\n Ketcher 3312515452D 1 1.00000 0.00000 0\n\n 21 20 0 0 0 0 0 0 0 0999 V2000\n 18.6460 -4.5375 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9220 -4.9896 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2813 -5.1445 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8946 -4.7843 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6781 -4.4030 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5511 -4.8448 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0373 -4.6186 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1553 -4.6966 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3523 -4.9671 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3644 -5.0597 1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3894 -6.4972 -0.0451 Fe 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7780 -7.9960 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2527 -8.4356 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0892 -8.5470 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8590 -8.1917 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.4537 -7.8147 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2140 -8.1348 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3837 -7.9392 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4235 -8.0292 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6677 -8.2843 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7711 -8.3489 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 8 1 0 0 0\n 2 9 1 0 0 0\n 3 10 1 0 0 0\n 4 6 1 0 0 0\n 5 7 1 0 0 0\n 6 7 2 0 0 0\n 6 10 1 0 0 0\n 8 9 2 0 0 0\n 9 10 1 0 0 0\n 7 8 1 0 0 0\n 12 19 1 0 0 0\n 13 20 1 0 0 0\n 14 21 1 0 0 0\n 15 17 1 0 0 0\n 16 18 1 0 0 0\n 17 18 1 0 0 0\n 17 21 2 0 0 0\n 18 19 1 0 0 0\n 19 20 2 0 0 0\n 20 21 1 0 0 0\nM CHG 3 10 -1 11 2 18 -1\nM END\n> <group>\n3D Templates\n\n$$$$\nbis(benzene)chromium\n Ketcher 3312515482D 1 1.00000 0.00000 0\n\n 25 24 0 0 0 0 0 0 0 0999 V2000\n 15.5943 -4.9414 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1199 -4.8546 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3715 -4.3444 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3737 -5.5242 2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1093 -4.2689 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5048 -5.6195 2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3228 -4.9476 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7835 -4.6451 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7658 -4.6163 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3558 -5.0010 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8970 -5.3030 1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9151 -5.3301 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5592 -8.0714 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1408 -8.0591 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4658 -8.6551 0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2575 -7.4020 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2358 -8.6811 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3511 -7.3583 -2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3303 -7.9895 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8357 -8.3381 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8332 -8.3381 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3340 -7.9895 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8308 -7.6398 -1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8346 -7.6399 -1.4817 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3363 -6.4730 -0.0045 Cr 0 0 0 0 0 0 0 0 0 0 0 0\n 1 10 1 0 0 0\n 2 7 1 0 0 0\n 3 8 1 0 0 0\n 4 11 1 0 0 0\n 5 9 1 0 0 0\n 6 12 1 0 0 0\n 7 9 1 0 0 0\n 7 11 2 0 0 0\n 8 9 2 0 0 0\n 8 10 1 0 0 0\n 10 12 2 0 0 0\n 11 12 1 0 0 0\n 13 22 1 0 0 0\n 14 19 1 0 0 0\n 15 20 1 0 0 0\n 16 23 1 0 0 0\n 17 21 1 0 0 0\n 18 24 1 0 0 0\n 19 21 1 0 0 0\n 19 23 2 0 0 0\n 20 22 1 0 0 0\n 22 24 2 0 0 0\n 23 24 1 0 0 0\n 20 21 2 0 0 0\nM END\n> <group>\n3D Templates\n\n$$$$\nDodecaborate\n -INDIGO-03312515463D\n\n 24 42 0 0 0 0 0 0 0 0999 V2000\n 17.3845 -4.9529 0.1441 B 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6799 -5.8037 -0.0875 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9264 -5.9378 1.2637 B 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3808 -5.8743 0.9681 B 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2044 -5.6998 -0.5839 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6262 -5.6620 -1.2317 B 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0061 -7.1448 0.0903 B 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7642 -7.0122 -1.2704 B 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3052 -7.0740 -0.9651 B 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4957 -7.2507 0.5818 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0783 -7.2901 1.2202 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3016 -7.9954 -0.1414 B 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3987 -4.4551 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1379 -5.5835 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1102 -5.7551 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0634 -5.6737 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8225 -5.4472 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7142 -5.3917 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5621 -7.3671 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5758 -7.1932 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6271 -7.2764 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8685 -7.5003 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9812 -7.5573 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2919 -8.4949 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 2 14 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 10 1 0 0 0 0\n 3 11 1 0 0 0 0\n 3 15 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 7 1 0 0 0 0\n 4 11 1 0 0 0 0\n 4 16 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 5 17 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 6 18 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 11 1 0 0 0 0\n 7 12 1 0 0 0 0\n 7 19 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 12 1 0 0 0 0\n 8 20 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 12 1 0 0 0 0\n 9 21 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 22 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 23 1 0 0 0 0\n 12 24 1 0 0 0 0\n 1 13 1 0 0 0 0\nM CHG 2 1 -1 12 -1\nM END\n> <group>\n3D Templates\n\n$$$$\nVitamin B12\n -INDIGO-03312515413D\n\n103114 0 0 1 0 0 0 0 0999 V2000\n 16.4280 -4.2779 -2.8020 C 0 0 2 0 0 0 0 0 0 0 0 0\n 15.9522 -3.4839 -4.0210 C 0 0 2 0 0 0 0 0 0 0 0 0\n 17.1035 -3.4780 -4.8521 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.2357 -3.7357 -4.1287 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5797 -3.6065 -4.4278 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5526 -3.9409 -3.5181 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7296 -3.8307 -3.7707 C 0 0 1 0 0 0 0 0 0 0 0 0\n 22.3160 -4.2143 -2.8064 C 0 0 1 0 0 0 0 0 0 0 0 0\n 21.5064 -4.5467 -1.9697 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8581 -5.0196 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8967 -5.3912 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2373 -5.8415 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1262 -6.0594 1.7698 C 0 0 1 0 0 0 0 0 0 0 0 0\n 19.2135 -5.7719 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9012 -5.9408 1.3393 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9118 -5.5869 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4930 -5.6648 0.5286 C 0 0 1 0 0 0 0 0 0 0 0 0\n 14.9479 -5.4767 -0.7076 C 0 0 2 0 0 0 0 0 0 0 0 0\n 16.0459 -4.8177 -1.4877 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.7250 -4.7550 -1.5362 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8776 -4.2402 -2.8666 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1809 -4.4243 -2.3083 N 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5884 -5.2713 -0.2036 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2862 -5.0852 -0.7797 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7215 -3.1484 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1522 -6.0059 -3.0572 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4285 -2.2451 -3.6876 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7683 -4.1418 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1619 -2.2214 -5.4978 H 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3041 -4.1031 -5.8101 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.4943 -4.8963 -4.7165 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0113 -2.6829 -3.9972 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8132 -6.8399 1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7803 -5.4692 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1288 -5.0457 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0702 -7.2516 2.0783 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0822 -6.8974 1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0142 -4.6470 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8108 -4.6654 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5567 -6.7319 -1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9371 -3.1023 -5.6736 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5273 -6.4256 2.6029 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9464 -7.2614 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7697 -4.1274 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7641 -7.6474 -2.5966 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2593 -8.1136 -2.5759 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3136 -7.9546 -2.7962 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1848 -8.6408 -2.8737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5214 -8.7163 -2.7250 N 0 0 1 0 0 0 0 0 0 0 0 0\n 19.9555 -7.7346 -2.9078 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4206 -8.1595 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2917 -8.8457 -3.1735 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6677 -9.0677 -3.0629 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.0626 -7.9379 -3.2074 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7562 -9.2710 -3.3454 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9544 -9.1891 -2.8553 C 0 0 2 0 0 0 0 0 0 0 0 0\n 15.7380 -9.4902 -2.1444 C 0 0 1 0 0 0 0 0 0 0 0 0\n 18.0778 -9.5034 -2.0289 C 0 0 2 0 0 0 0 0 0 0 0 0\n 17.5407 -10.0031 -0.8085 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1036 -9.9845 -0.9041 C 0 0 2 0 0 0 0 0 0 0 0 0\n 18.5101 -10.3746 -2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8784 -8.0688 -3.2417 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8197 -10.3262 -4.0929 H 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5817 -11.3388 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7077 -11.3312 0.4546 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8066 -8.9017 0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9660 -10.5002 -2.8486 H 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3363 -8.2937 -2.4401 P 0 0 2 0 0 0 0 0 0 0 0 0\n 14.9681 -8.2720 -2.0184 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7117 -9.1309 -2.2377 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9492 -9.0231 -1.8000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 12.2562 -8.7531 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.7318 -7.9599 -4.0172 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0570 -8.3499 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7584 -9.7717 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4463 -9.3799 -1.7642 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4572 -8.6850 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0977 -7.5732 -2.0905 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7658 -8.7134 -0.4125 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9453 -4.9999 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0840 -4.4886 -0.6948 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8652 -5.7285 -0.7472 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2805 -2.3848 -3.7574 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4116 -1.9269 -3.7636 N 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1111 -3.1033 -3.8194 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0852 -3.2353 -5.7545 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0512 -2.2592 -5.7302 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6540 -1.6188 -5.7300 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6732 -1.6811 -5.6890 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2877 -2.2409 -4.0158 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5425 -2.6256 -4.0571 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6701 -1.7927 -4.0299 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9958 -3.3124 -2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0144 -5.1504 -3.0705 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.8556 -5.9254 -3.0975 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2071 -6.6494 -3.1019 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.5410 -7.2087 -3.1027 N 0 0 0 0 0 0 0 0 0 0 0 0\n 22.6092 -6.9965 -3.1360 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2046 -7.5788 2.1171 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3595 -8.4436 2.1008 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9522 -9.0277 2.0684 N 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1026 -8.8878 2.1202 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7063 -2.2189 -0.6808 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 19 1 0 0 0 0\n 1 21 1 0 0 0 0\n 1 26 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 27 1 0 0 0 0\n 2 28 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 29 1 0 0 0 0\n 3 30 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 21 2 0 0 0 0\n 5 6 2 0 0 0 0\n 5 41 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 22 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 31 1 0 0 0 0\n 7 32 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 93 1 0 0 0 0\n 8 94 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 22 2 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 23 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 33 1 0 0 0 0\n 12 34 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 35 1 0 0 0 0\n 13 36 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 23 2 0 0 0 0\n 15 16 2 0 0 0 0\n 15 42 1 0 0 0 0\n 16 17 1 0 0 0 0\n 16 24 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 37 1 0 0 0 0\n 17 38 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 39 1 0 0 0 0\n 18 40 1 0 0 0 0\n 19 24 1 0 0 0 0\n 19 44 1 0 0 0 0\n 25103 3 0 0 0 0\n 27 83 1 0 0 0 0\n 30 86 1 0 0 0 0\n 32 90 1 0 0 0 0\n 36 99 1 0 0 0 0\n 37 43 1 0 0 0 0\n 39 80 1 0 0 0 0\n 43 77 1 0 0 0 0\n 45 46 2 0 0 0 0\n 45 47 1 0 0 0 0\n 46 49 1 0 0 0 0\n 47 48 2 0 0 0 0\n 47 50 1 0 0 0 0\n 48 49 1 0 0 0 0\n 48 53 1 0 0 0 0\n 49 58 1 0 0 0 0\n 50 51 2 0 0 0 0\n 51 52 1 0 0 0 0\n 51 54 1 0 0 0 0\n 52 53 2 0 0 0 0\n 52 55 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 56 62 1 0 0 0 0\n 56 63 1 0 0 0 0\n 57 60 1 0 0 0 0\n 57 67 1 0 0 0 0\n 57 69 1 0 0 0 0\n 58 59 1 0 0 0 0\n 58 61 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 64 1 0 0 0 0\n 60 66 1 0 0 0 0\n 64 65 1 0 0 0 0\n 68 69 1 0 0 0 0\n 68 70 1 0 0 0 0\n 68 73 2 0 0 0 0\n 68 78 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 71 74 1 0 0 0 0\n 71 75 1 0 0 0 0\n 72 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 77 79 2 0 0 0 0\n 80 81 1 0 0 0 0\n 80 82 2 0 0 0 0\n 83 85 2 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 87 89 2 0 0 0 0\n 90 91 1 0 0 0 0\n 90 92 2 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 96 98 2 0 0 0 0\n 99100 1 0 0 0 0\n100101 1 0 0 0 0\n100102 2 0 0 0 0\n 83 84 1 0 0 0 0\n 25 20 9 0 0 0 0\n 21 20 9 0 0 0 0\n 24 20 9 0 0 0 0\n 45 20 9 0 0 0 0\n 23 20 9 0 0 0 0\n 22 20 9 0 0 0 0\nM CHG 4 20 1 24 -1 25 -1 78 -1\nM END\n> <group>\n3D Templates\n\n$$$$\nsucrose\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 31 32 0 0 0 999 V2000\n 5.2890 -7.5286 -0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6624 -5.1211 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2941 -5.7056 2.0759 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9494 -7.5048 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0481 -8.2707 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2890 -4.4624 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3001 -5.0862 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1244 -4.8497 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5502 -3.7821 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2117 -6.2026 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3725 -5.8284 -1.8918 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3225 -6.4586 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2839 -6.9390 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5059 -7.2324 -2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5117 -6.1824 -4.0570 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2609 -5.5788 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9153 -6.8782 -0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4269 -6.7225 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3241 -8.0774 2.1099 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1140 -7.8468 -1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3110 -9.0856 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5240 -8.9610 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7799 -10.1548 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8853 -8.7670 1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6894 -7.6334 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4355 -6.9446 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0396 -5.5329 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4050 -5.2699 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7885 -9.0951 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1875 -10.4160 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0011 -11.7179 -0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 12 1 0 0 0 0\n 2 12 1 0 0 0 0\n 3 10 1 0 0 0 0\n 4 10 1 0 0 0 0\n 5 13 1 0 0 0 0\n 6 16 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 7 16 1 0 0 0 0\n 10 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 16 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 26 1 0 0 0 0\n 18 25 1 0 0 0 0\n 19 25 1 0 0 0 0\n 20 26 1 0 0 0 0\n 20 29 1 0 0 0 0\n 21 29 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 1 0 0 0 0\n 22 29 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 27 28 1 0 0 0 0\nM END\n> <atomid>\n20\n\n> <bondid>\n22\n\n> <group>\n3D Templates\n\n$$$$\nHeptamolybdate ion\n -INDIGO-03312515443D\n\n 31 42 0 0 0 0 0 0 0 0999 V2000\n 18.4677 -7.9741 0.4125 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2144 -9.0440 0.0304 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4315 -8.3961 0.9253 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7534 -6.4779 0.2889 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7173 -6.8980 0.8027 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0401 -4.9816 0.1655 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 16.0740 -4.5540 -0.3376 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2913 -3.9060 0.5565 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0040 -5.4018 0.6794 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0877 -7.3561 -1.0859 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8018 -8.4457 -1.4534 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0750 -7.7631 -0.5929 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6821 -7.1722 -2.1186 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3635 -5.8475 -1.2255 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3639 -5.4195 -1.7265 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0879 -6.9494 -1.5752 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6478 -4.7701 -0.8389 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.3612 -6.2669 -0.7148 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9572 -5.6662 -2.2763 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8720 -7.7514 0.8975 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5980 -8.8053 0.5010 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8583 -8.1882 1.4264 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2425 -7.9578 1.8944 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5000 -7.5460 -0.0916 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1933 -6.2498 0.7667 Mo 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9297 -7.2940 0.3845 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1436 -6.6904 1.3026 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2384 -5.8517 0.2833 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4294 -5.1940 1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5969 -6.4504 1.7553 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7863 -6.0492 -0.2149 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\n 1 5 1 0 0 0 0\n 1 12 1 0 0 0 0\n 1 22 1 0 0 0 0\n 1 24 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 9 1 0 0 0 0\n 4 18 1 0 0 0 0\n 4 24 1 0 0 0 0\n 4 27 1 0 0 0 0\n 4 31 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 6 17 1 0 0 0 0\n 6 29 1 0 0 0 0\n 6 27 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 10 16 1 0 0 0 0\n 10 18 1 0 0 0 0\n 10 24 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 14 24 1 0 0 0 0\n 14 19 2 0 0 0 0\n 9 14 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 5 20 1 0 0 0 0\n 20 26 1 0 0 0 0\n 20 27 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\n 25 28 2 0 0 0 0\n 25 29 1 0 0 0 0\n 25 30 2 0 0 0 0\n 25 31 1 0 0 0 0\n 20 23 2 0 0 0 0\nM CHG 8 1 2 5 -1 6 2 9 -1 10 2 12 -2 14 2 16 -2\nM CHG 8 17 -2 18 -1 20 2 22 -2 24 -1 25 2 26 -2 27 -1\nM CHG 2 29 -2 31 -1\nM END\n> <group>\n3D Templates\n\n$$$$\nC20H20\n Ketcher 3131814142D 1 1.00000 0.00000 0\n\n 40 50 0 0 0 999 V2000\n 7.5483 -7.7451 -3.3419 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3984 -5.8792 -3.4318 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3399 -6.5425 -1.9898 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6820 -3.9425 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8163 -7.1034 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5722 -4.7343 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1701 -7.2380 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8300 -6.9765 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6631 -7.1690 -1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4077 -9.5239 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9006 -10.0139 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6600 -8.8749 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5136 -5.9115 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5338 -7.8406 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6981 -8.8654 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4046 -10.6907 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3185 -9.3106 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4958 -10.8075 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5552 -7.8780 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8522 -9.1147 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1601 -8.2997 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5774 -7.5989 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6577 -4.0099 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0808 -6.4894 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9123 -5.4699 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9155 -8.2329 2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0766 -7.5513 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6780 -6.9857 3.3021 H 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5861 -5.8939 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9973 -5.0597 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3193 -5.8429 1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4740 -4.7173 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9809 -7.1457 1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8270 -6.1245 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0023 -5.4308 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9125 -8.9385 -1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2374 -9.3522 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4116 -8.6461 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7726 -9.9758 -2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2577 -7.6250 -1.9478 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 40 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 9 1 0 0 0 0\n 3 25 1 0 0 0 0\n 3 40 1 0 0 0 0\n 4 25 1 0 0 0 0\n 5 7 1 0 0 0 0\n 6 29 1 0 0 0 0\n 7 21 1 0 0 0 0\n 7 29 1 0 0 0 0\n 7 40 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 24 1 0 0 0 0\n 9 38 1 0 0 0 0\n 10 38 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 17 1 0 0 0 0\n 12 27 1 0 0 0 0\n 12 38 1 0 0 0 0\n 13 24 1 0 0 0 0\n 14 27 1 0 0 0 0\n 15 26 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 26 1 0 0 0 0\n 17 37 1 0 0 0 0\n 18 37 1 0 0 0 0\n 19 22 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 21 37 1 0 0 0 0\n 22 26 1 0 0 0 0\n 22 34 1 0 0 0 0\n 23 35 1 0 0 0 0\n 24 27 1 0 0 0 0\n 24 35 1 0 0 0 0\n 25 29 1 0 0 0 0\n 25 35 1 0 0 0 0\n 26 33 1 0 0 0 0\n 27 33 1 0 0 0 0\n 28 33 1 0 0 0 0\n 29 34 1 0 0 0 0\n 30 34 1 0 0 0 0\n 31 32 1 0 0 0 0\n 31 33 1 0 0 0 0\n 31 35 1 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 1 0 0 0 0\n 36 39 1 0 0 0 0\n 36 40 1 0 0 0 0\n 31 34 1 0 0 0 0\nM END\n> <atomid>\n19\n\n> <bondid>\n27\n\n> <group>\n3D Templates\n\n$$$$\nTetracobalt dodecacarbonyl\n -INDIGO-03312515423D\n\n 28 33 0 0 0 0 0 0 0 0999 V2000\n 17.7209 -5.9276 0.1578 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2423 -5.2448 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5073 -4.6902 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.9598 -4.9280 1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0159 -4.9114 0.7574 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.4149 -4.0696 -1.5867 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5847 -4.4295 2.0078 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2598 -8.6407 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5069 -7.4625 1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2480 -8.9929 1.9591 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6274 -7.2300 2.2740 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9969 -6.7234 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7245 -7.9864 -1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8513 -6.3329 -1.3649 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4536 -8.2301 -1.6329 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1330 -7.4567 -0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9481 -8.5769 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4328 -7.2049 -0.9539 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1529 -8.8834 -1.1785 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6737 -7.5690 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4692 -7.4081 1.4013 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2683 -7.9399 1.2282 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8991 -8.2285 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9960 -8.5388 1.7147 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.5344 -7.9515 -0.6701 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5066 -7.5868 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2792 -7.4934 -0.7734 Co 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6150 -7.4372 -3.3310 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 22 1 0 0 0 0\n 1 25 1 0 0 0 0\n 1 27 1 0 0 0 0\n 2 5 3 0 0 0 0\n 4 7 3 0 0 0 0\n 8 10 3 0 0 0 0\n 8 22 9 0 0 0 0\n 9 11 3 0 0 0 0\n 9 22 9 0 0 0 0\n 12 14 3 0 0 0 0\n 12 27 9 0 0 0 0\n 13 15 3 0 0 0 0\n 13 27 9 0 0 0 0\n 16 18 3 0 0 0 0\n 16 25 9 0 0 0 0\n 17 19 3 0 0 0 0\n 17 25 9 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 9 0 0 0 0\n 22 25 1 0 0 0 0\n 22 27 1 0 0 0 0\n 23 24 2 0 0 0 0\n 25 27 1 0 0 0 0\n 26 27 9 0 0 0 0\n 26 28 2 0 0 0 0\n 3 6 3 0 0 0 0\n 4 1 9 0 0 0 0\n 3 1 9 0 0 0 0\n 2 1 9 0 0 0 0\n 23 25 9 0 0 0 0\n 23 22 9 0 0 0 0\n 26 25 9 0 0 0 0\n 20 27 9 0 0 0 0\nM CHG 8 2 -1 3 -1 4 -1 5 1 6 1 7 1 8 -1 9 -1\nM CHG 8 10 1 11 1 12 -1 13 -1 14 1 15 1 16 -1 17 -1\nM CHG 8 18 1 19 1 20 -2 22 2 23 -2 25 2 26 -2 27 2\nM END\n> <group>\n3D Templates\n\n$$$$\nIron pentacarbonyl\n -INDIGO-03312515433D\n\n 11 10 0 0 0 0 0 0 0 0999 V2000\n 17.8272 -6.5434 0.0016 Fe 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5160 -6.5546 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4365 -6.3526 -1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4929 -6.7351 1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8279 -4.9640 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8265 -8.1106 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9473 -6.1954 -2.0026 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.0125 -6.8785 1.9652 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4727 -6.5682 0.0394 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8279 -3.9110 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8266 -9.1515 -0.3878 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 9 3 0 0 0 0\n 3 7 3 0 0 0 0\n 4 8 3 0 0 0 0\n 6 11 3 0 0 0 0\n 5 10 3 0 0 0 0\n 2 1 9 0 0 0 0\n 5 1 9 0 0 0 0\n 6 1 9 0 0 0 0\n 3 1 9 0 0 0 0\n 4 1 9 0 0 0 0\nM CHG 8 2 -1 3 -1 4 -1 5 -1 6 -1 7 1 8 1 9 1\nM CHG 2 10 1 11 1\nM END\n> <group>\n3D Templates\n\n$$$$\nChlorophyll A\n -INDIGO-03312515473D\n\n 0 0 0 0 0 0 0 0 0 0 0 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 71 77 0 0 0\nM V30 BEGIN ATOM\nM V30 1 C 19.4605 -9.71006 -7.9474 0\nM V30 2 C 18.7353 -8.98751 -8.59136 0\nM V30 3 C 17.324 -8.4129 -9.31537 0 CFG=1\nM V30 4 C 18.1019 -7.72808 -9.55292 0\nM V30 5 C 17.9353 -6.77994 -10.1982 0\nM V30 6 C 18.8805 -6.06238 -10.4591 0\nM V30 7 C 18.8007 -5.19229 -11.0525 0\nM V30 8 C 19.7446 -4.7595 -11.095 0\nM V30 9 C 20.4051 -5.32973 -10.5434 0\nM V30 10 C 21.5599 -5.06382 -10.4421 0\nM V30 11 C 22.2994 -5.79261 -9.79884 0\nM V30 12 C 23.3213 -5.61298 -9.679 0\nM V30 13 C 23.7235 -6.38137 -9.08001 0\nM V30 14 C 22.9388 -7.03005 -8.83974 0\nM V30 15 C 23.0717 -7.99068 -8.19598 0\nM V30 16 C 22.1566 -8.72106 -7.95039 0\nM V30 17 C 22.2416 -9.58012 -7.36947 0\nM V30 18 C 21.2877 -10.0316 -7.30184 0\nM V30 19 C 20.5789 -10.9304 -6.87822 0\nM V30 20 C 20.6339 -9.42833 -7.84742 0\nM V30 21 N 21.0789 -8.4414 -8.38869 0 CHG=-1\nM V30 22 N 19.1807 -7.99925 -9.12897 0\nM V30 23 N 19.9738 -6.33394 -10.0129 0 CHG=-1\nM V30 24 N 21.8544 -6.77928 -9.26103 0\nM V30 25 Mg 20.521 -7.37495 -9.20264 0 CHG=2\nM V30 26 O 20.9331 -11.8585 -6.18763 0\nM V30 27 H 17.5114 -10.1302 -9.18982 0\nM V30 28 H 16.5656 -7.90312 -8.81403 0\nM V30 29 C 16.9188 -8.84409 -10.1772 0\nM V30 30 C 17.799 -4.78083 -11.5722 0\nM V30 31 C 20.037 -3.7266 -11.7042 0\nM V30 32 C 21.1752 -3.30391 -11.681 0\nM V30 33 C 23.9535 -4.67335 -10.1524 0\nM V30 34 C 24.8823 -6.49357 -8.72209 0\nM V30 35 C 25.7379 -7.09302 -9.36034 0\nM V30 36 C 23.2591 -9.98361 -6.84023 0\nM V30 37 H 18.6587 -10.7866 -6.46656 0\nM V30 38 C 19.4474 -10.7345 -7.28915 0 CFG=2\nM V30 39 C 18.0599 -12.1106 -8.48939 0\nM V30 40 O 18.332 -11.4379 -8.01469 0\nM V30 41 C 19.1669 -11.4059 -7.76206 0\nM V30 42 O 19.7188 -12.0481 -7.98433 0\nM V30 43 C 17.6994 -9.17517 -8.72243 0 CFG=2\nM V30 44 C 17.4168 -9.18228 -7.74685 0\nM V30 45 C 16.5945 -9.72793 -7.45915 0\nM V30 46 C 10.7469 -9.40661 -5.43379 0\nM V30 47 O 14.9281 -9.78313 -6.88201 0\nM V30 48 C 15.7471 -9.23735 -7.16633 0\nM V30 49 O 15.709 -8.21494 -7.15603 0\nM V30 50 C 14.0819 -9.29448 -6.58946 0\nM V30 51 C 13.2579 -9.84006 -6.30003 0\nM V30 52 H 13.2947 -10.8688 -6.31285 0\nM V30 53 C 11.5947 -9.89546 -5.72641 0\nM V30 54 C 12.4151 -9.35141 -6.01259 0\nM V30 55 C 12.3757 -8.3276 -5.99877 0\nM V30 56 C 9.86938 -7.90538 -5.134 0 CFG=2\nM V30 57 H 9.62944 -8.25467 -4.0261 0\nM V30 58 C 10.7233 -8.38095 -5.43007 0\nM V30 59 C 9.00189 -8.29818 -5.6829 0\nM V30 60 C 9.84746 -6.88012 -5.13021 0\nM V30 61 C 10.7044 -6.3714 -5.34697 0\nM V30 62 C 11.5596 -4.83889 -5.56539 0 CFG=2\nM V30 63 H 11.998 -5.21381 -6.56348 0\nM V30 64 C 10.695 -5.34268 -5.34803 0\nM V30 65 C 12.3516 -5.1701 -4.82397 0\nM V30 66 C 11.5484 -3.81189 -5.56486 0\nM V30 67 C 12.4102 -3.31288 -5.78115 0\nM V30 68 C 12.4153 -2.28157 -5.78527 0\nM V30 69 C 13.2796 -0.764398 -6.00907 0\nM V30 70 C 13.2796 -1.7874 -6.00907 0\nM V30 71 C 14.1382 -2.30303 -6.21732 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 2 1 20\nM V30 3 1 1 38\nM V30 4 2 2 22\nM V30 5 1 2 43\nM V30 6 1 3 4\nM V30 7 1 3 28\nM V30 8 1 3 29\nM V30 9 1 3 43\nM V30 10 2 4 5\nM V30 11 1 4 22\nM V30 12 1 5 6\nM V30 13 2 6 7\nM V30 14 1 6 23\nM V30 15 1 7 8\nM V30 16 1 7 30\nM V30 17 2 8 9\nM V30 18 1 8 31\nM V30 19 1 9 10\nM V30 20 1 9 23\nM V30 21 2 10 11\nM V30 22 1 11 12\nM V30 23 1 11 24\nM V30 24 2 12 13\nM V30 25 1 12 33\nM V30 26 1 13 14\nM V30 27 1 13 34\nM V30 28 1 14 15\nM V30 29 2 14 24\nM V30 30 2 15 16\nM V30 31 1 16 17\nM V30 32 1 16 21\nM V30 33 2 17 18\nM V30 34 1 17 36\nM V30 35 1 18 19\nM V30 36 1 18 20\nM V30 37 2 19 26\nM V30 38 1 19 38\nM V30 39 1 20 21\nM V30 40 9 22 25\nM V30 41 9 24 25\nM V30 42 1 27 43\nM V30 43 2 31 32\nM V30 44 1 34 35\nM V30 45 1 37 38\nM V30 46 1 38 41\nM V30 47 1 39 40\nM V30 48 1 40 41\nM V30 49 2 41 42\nM V30 50 1 43 44\nM V30 51 1 44 45\nM V30 52 1 45 48\nM V30 53 1 46 53\nM V30 54 1 46 58\nM V30 55 1 47 48\nM V30 56 1 47 50\nM V30 57 2 48 49\nM V30 58 1 50 51\nM V30 59 1 51 52\nM V30 60 2 51 54\nM V30 61 1 53 54\nM V30 62 1 54 55\nM V30 63 1 56 57\nM V30 64 1 56 58\nM V30 65 1 56 59\nM V30 66 1 56 60\nM V30 67 1 60 61\nM V30 68 1 61 64\nM V30 69 1 62 63\nM V30 70 1 62 64\nM V30 71 1 62 65\nM V30 72 1 62 66\nM V30 73 1 66 67\nM V30 74 1 67 68\nM V30 75 1 68 70\nM V30 76 1 70 71\nM V30 77 1 69 70\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(5 3 38 43 56 62)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n> <group>\n3D Templates\n\n$$$$\nPhenylalanine mustard\n Ketcher 8252313372D 1 1.00000 0.00000 0\n\n 19 19 0 0 1 0 0 0 0 0999 V2000\n 5.5721 -3.1600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1079 -3.1600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1079 -11.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -11.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -5.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1079 -9.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -6.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -9.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8401 -8.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7061 -4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -9.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7061 -6.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -6.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7061 -7.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -7.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7061 -3.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -3.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9740 -10.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 17 1 0 0 0\n 2 18 1 0 0 0\n 3 19 1 0 0 0\n 4 19 2 0 0 0\n 5 7 1 0 0 0\n 5 10 1 0 0 0\n 5 11 1 0 0 0\n 12 6 1 1 0 0\n 7 13 2 0 0 0\n 7 14 1 0 0 0\n 8 9 1 0 0 0\n 8 12 1 0 0 0\n 9 15 2 0 0 0\n 9 16 1 0 0 0\n 10 17 1 0 0 0\n 11 18 1 0 0 0\n 12 19 1 0 0 0\n 13 15 1 0 0 0\n 14 16 2 0 0 0\nM END\n\n> <atomid>\n0\n\n> <bondid>\n0\n\n> <group>\nAromatics\n\n$$$$\n";
|
|
1114
1115
|
|
|
1115
1116
|
var cachedInitData;
|
|
1116
1117
|
var needReinitializeTemplateLibrary = false;
|
|
@@ -3336,6 +3337,7 @@ function load(struct, options) {
|
|
|
3336
3337
|
parsedStruct.setImplicitHydrogen();
|
|
3337
3338
|
parsedStruct.setStereoLabelsToAtoms();
|
|
3338
3339
|
parsedStruct.markFragments();
|
|
3340
|
+
parsedStruct.applyMonomersTransformations();
|
|
3339
3341
|
if (fragment) {
|
|
3340
3342
|
if (parsedStruct.isBlank()) {
|
|
3341
3343
|
dispatch(removeStructAction());
|
|
@@ -3361,23 +3363,23 @@ function load(struct, options) {
|
|
|
3361
3363
|
dispatch({
|
|
3362
3364
|
type: 'MODAL_CLOSE'
|
|
3363
3365
|
});
|
|
3364
|
-
_context.next =
|
|
3366
|
+
_context.next = 42;
|
|
3365
3367
|
break;
|
|
3366
|
-
case
|
|
3367
|
-
_context.prev =
|
|
3368
|
+
case 37:
|
|
3369
|
+
_context.prev = 37;
|
|
3368
3370
|
_context.t0 = _context["catch"](9);
|
|
3369
3371
|
ketcherCore.KetcherLogger.error('shared.ts::load', _context.t0);
|
|
3370
3372
|
dispatch(setAnalyzingFile(false));
|
|
3371
3373
|
_context.t0 && errorHandler && errorHandler(_context.t0.message);
|
|
3372
|
-
case
|
|
3373
|
-
_context.prev =
|
|
3374
|
+
case 42:
|
|
3375
|
+
_context.prev = 42;
|
|
3374
3376
|
ketcherCore.notifyRequestCompleted();
|
|
3375
|
-
return _context.finish(
|
|
3376
|
-
case
|
|
3377
|
+
return _context.finish(42);
|
|
3378
|
+
case 45:
|
|
3377
3379
|
case "end":
|
|
3378
3380
|
return _context.stop();
|
|
3379
3381
|
}
|
|
3380
|
-
}, _callee, null, [[9,
|
|
3382
|
+
}, _callee, null, [[9, 37, 42, 45]]);
|
|
3381
3383
|
}));
|
|
3382
3384
|
return function (_x, _x2) {
|
|
3383
3385
|
return _ref.apply(this, arguments);
|
|
@@ -3808,7 +3810,7 @@ var zoom = {
|
|
|
3808
3810
|
|
|
3809
3811
|
var openHelpLink = function openHelpLink() {
|
|
3810
3812
|
var _window$open;
|
|
3811
|
-
return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v3.
|
|
3813
|
+
return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v3.4.0-rc.1\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
|
|
3812
3814
|
};
|
|
3813
3815
|
var help = {
|
|
3814
3816
|
help: {
|
|
@@ -8126,11 +8128,15 @@ var getIconByName = function getIconByName(name) {
|
|
|
8126
8128
|
var Icon = function Icon(_ref) {
|
|
8127
8129
|
var name = _ref.name,
|
|
8128
8130
|
className = _ref.className,
|
|
8129
|
-
|
|
8131
|
+
title = _ref.title,
|
|
8132
|
+
onClick = _ref.onClick,
|
|
8133
|
+
dataTestId = _ref.dataTestId;
|
|
8130
8134
|
var Component = getIconByName(name);
|
|
8131
8135
|
return jsxRuntime.jsx(Component, {
|
|
8132
8136
|
className: className,
|
|
8133
|
-
|
|
8137
|
+
title: title,
|
|
8138
|
+
onClick: onClick,
|
|
8139
|
+
"data-testid": dataTestId
|
|
8134
8140
|
});
|
|
8135
8141
|
};
|
|
8136
8142
|
|
|
@@ -8540,7 +8546,7 @@ var Dialog = function Dialog(props) {
|
|
|
8540
8546
|
onClick: function onClick() {
|
|
8541
8547
|
return exit('Cancel');
|
|
8542
8548
|
},
|
|
8543
|
-
"data-testid": 'close-
|
|
8549
|
+
"data-testid": 'close-window-button',
|
|
8544
8550
|
children: jsxRuntime.jsx(Icon, {
|
|
8545
8551
|
name: 'close',
|
|
8546
8552
|
className: styles$h.closeButton
|
|
@@ -13181,6 +13187,9 @@ var Portal = function (_Component) {
|
|
|
13181
13187
|
_this = _callSuper$d(this, Portal, [props]);
|
|
13182
13188
|
_this.element = document.createElement('div');
|
|
13183
13189
|
_this.isElementInDom = false;
|
|
13190
|
+
if (_this.props.testId) {
|
|
13191
|
+
_this.element.setAttribute('data-testId', _this.props.testId);
|
|
13192
|
+
}
|
|
13184
13193
|
return _this;
|
|
13185
13194
|
}
|
|
13186
13195
|
_createClass__default["default"](Portal, [{
|
|
@@ -13486,7 +13495,7 @@ var ToolbarMultiToolItem = function ToolbarMultiToolItem(props) {
|
|
|
13486
13495
|
return displayMultiToolItem && iconName ? jsxRuntime.jsxs("div", {
|
|
13487
13496
|
ref: ref,
|
|
13488
13497
|
className: classes$N.root,
|
|
13489
|
-
"data-testid": "".concat(
|
|
13498
|
+
"data-testid": "".concat(id, "-drop-down-button"),
|
|
13490
13499
|
children: [jsxRuntime.jsx(ActionButton, _objectSpread$1g(_objectSpread$1g({}, actionButtonProps), {}, {
|
|
13491
13500
|
className: className,
|
|
13492
13501
|
name: iconName,
|
|
@@ -13497,11 +13506,13 @@ var ToolbarMultiToolItem = function ToolbarMultiToolItem(props) {
|
|
|
13497
13506
|
})), !isOpen && !isDisabled && jsxRuntime.jsx(Icon, {
|
|
13498
13507
|
className: "".concat(classes$N.icon, " ").concat((currentStatus === null || currentStatus === void 0 ? void 0 : currentStatus.selected) && classes$N.iconSelected),
|
|
13499
13508
|
name: "dropdown",
|
|
13509
|
+
dataTestId: "dropdown-expand",
|
|
13500
13510
|
onClick: onOpenOptions
|
|
13501
13511
|
}), isOpen ? jsxRuntime.jsx(Portal, {
|
|
13502
13512
|
isOpen: isOpen,
|
|
13503
13513
|
className: clsx__default["default"](classes$N.portal, vertical && classes$N['portal-vertical'], portalClassName),
|
|
13504
13514
|
style: portalStyle,
|
|
13515
|
+
testId: "multi-tool-dropdown",
|
|
13505
13516
|
children: jsxRuntime.jsx(Component, {
|
|
13506
13517
|
options: options,
|
|
13507
13518
|
groups: groups,
|
|
@@ -23110,7 +23121,8 @@ var RotateTool = function () {
|
|
|
23110
23121
|
value:
|
|
23111
23122
|
function mouseup() {
|
|
23112
23123
|
var _dragCtx$mergeItems,
|
|
23113
|
-
_this3 = this
|
|
23124
|
+
_this3 = this,
|
|
23125
|
+
_this$selection2;
|
|
23114
23126
|
if (!this.dragCtx) {
|
|
23115
23127
|
return true;
|
|
23116
23128
|
}
|
|
@@ -23135,6 +23147,22 @@ var RotateTool = function () {
|
|
|
23135
23147
|
if (!isMergingSGroup) {
|
|
23136
23148
|
action = action ? ketcherCore.fromItemsFuse(this.reStruct, dragCtx.mergeItems).mergeWith(action) : ketcherCore.fromItemsFuse(this.reStruct, dragCtx.mergeItems);
|
|
23137
23149
|
}
|
|
23150
|
+
if ((_this$selection2 = this.selection) !== null && _this$selection2 !== void 0 && _this$selection2.atoms) {
|
|
23151
|
+
var _this$selection3;
|
|
23152
|
+
var sGroups = ketcherCore.getRelSGroupsBySelection(this.struct, (_this$selection3 = this.selection) === null || _this$selection3 === void 0 ? void 0 : _this$selection3.atoms);
|
|
23153
|
+
var monomerRotateAction = new ketcherCore.Action();
|
|
23154
|
+
sGroups.forEach(function (sGroup) {
|
|
23155
|
+
if (sGroup instanceof ketcherCore.MonomerMicromolecule) {
|
|
23156
|
+
var angleInRadians = dragCtx.angle * Math.PI / 180;
|
|
23157
|
+
monomerRotateAction.addOp(new ketcherCore.RotateMonomerOperation({
|
|
23158
|
+
id: sGroup.id,
|
|
23159
|
+
value: angleInRadians
|
|
23160
|
+
}));
|
|
23161
|
+
}
|
|
23162
|
+
});
|
|
23163
|
+
monomerRotateAction.perform(this.reStruct);
|
|
23164
|
+
action = action.mergeWith(monomerRotateAction);
|
|
23165
|
+
}
|
|
23138
23166
|
delete this.dragCtx;
|
|
23139
23167
|
this.editor.update(action);
|
|
23140
23168
|
if (dragCtx.mergeItems) {
|
|
@@ -27167,23 +27195,28 @@ var InfoPanel = function InfoPanel(props) {
|
|
|
27167
27195
|
var width = size.x;
|
|
27168
27196
|
var height = size.y;
|
|
27169
27197
|
var showMolecule = molecule && sGroup && !ketcherCore.SGroup.isDataSGroup(sGroup) && !ketcherCore.SGroup.isQuerySGroup(sGroup);
|
|
27170
|
-
|
|
27171
|
-
|
|
27172
|
-
|
|
27173
|
-
|
|
27174
|
-
|
|
27175
|
-
|
|
27176
|
-
|
|
27177
|
-
|
|
27178
|
-
|
|
27179
|
-
|
|
27180
|
-
|
|
27181
|
-
|
|
27182
|
-
|
|
27183
|
-
|
|
27184
|
-
|
|
27198
|
+
if (sGroup instanceof ketcherCore.MonomerMicromolecule) {
|
|
27199
|
+
var monomer = sGroup.monomer;
|
|
27200
|
+
if (monomer instanceof ketcherCore.AmbiguousMonomer) {
|
|
27201
|
+
return jsxRuntime.jsx(AmbiguousMonomerPreview, {
|
|
27202
|
+
preview: {
|
|
27203
|
+
type: exports.PreviewType.AmbiguousMonomer,
|
|
27204
|
+
monomer: monomer.variantMonomerItem
|
|
27205
|
+
},
|
|
27206
|
+
style: {
|
|
27207
|
+
position: 'absolute',
|
|
27208
|
+
left: "".concat(clientX - 50, "px"),
|
|
27209
|
+
top: calculateAmbiguousMonomerPreviewTop(monomer.variantMonomerItem)({
|
|
27210
|
+
left: clientX - 50,
|
|
27211
|
+
top: clientY - 65,
|
|
27212
|
+
bottom: clientY - 25
|
|
27213
|
+
}),
|
|
27214
|
+
transform: 'translate(-50%, 0)'
|
|
27215
|
+
}
|
|
27216
|
+
});
|
|
27185
27217
|
}
|
|
27186
|
-
}
|
|
27218
|
+
}
|
|
27219
|
+
return showMolecule ? jsxRuntime.jsx("div", {
|
|
27187
27220
|
style: {
|
|
27188
27221
|
left: x + 'px',
|
|
27189
27222
|
top: y + 'px'
|
|
@@ -27652,6 +27685,7 @@ function AboutDialog(props) {
|
|
|
27652
27685
|
buttons: [jsxRuntime.jsx("button", {
|
|
27653
27686
|
onClick: props.onOk,
|
|
27654
27687
|
className: classes$C.okButton,
|
|
27688
|
+
"data-testid": "ok-button",
|
|
27655
27689
|
children: "Ok"
|
|
27656
27690
|
}, "ok")],
|
|
27657
27691
|
children: [jsxRuntime.jsx("div", {
|
|
@@ -28925,7 +28959,8 @@ var SaveButton$1 = function SaveButton(props) {
|
|
|
28925
28959
|
onError = _props$onError === void 0 ? noop : _props$onError,
|
|
28926
28960
|
className = props.className,
|
|
28927
28961
|
title = props.title,
|
|
28928
|
-
disabled = props.disabled
|
|
28962
|
+
disabled = props.disabled,
|
|
28963
|
+
testId = props.testId;
|
|
28929
28964
|
var _useAppContext = useAppContext(),
|
|
28930
28965
|
getKetcherInstance = _useAppContext.getKetcherInstance;
|
|
28931
28966
|
var saveFile = function saveFile() {
|
|
@@ -28968,6 +29003,7 @@ var SaveButton$1 = function SaveButton(props) {
|
|
|
28968
29003
|
title: title,
|
|
28969
29004
|
className: className,
|
|
28970
29005
|
disabled: disabled,
|
|
29006
|
+
"data-testid": testId,
|
|
28971
29007
|
onClick: function onClick(event) {
|
|
28972
29008
|
save(event);
|
|
28973
29009
|
},
|
|
@@ -29205,15 +29241,15 @@ var SettingsDialog = function SettingsDialog(props) {
|
|
|
29205
29241
|
options: getSelectOptionsFromSchema(settingsProps === null || settingsProps === void 0 ? void 0 : settingsProps.resetToSelect),
|
|
29206
29242
|
"data-testid": "reset-to-select"
|
|
29207
29243
|
}), jsxRuntime.jsx(Field, {
|
|
29208
|
-
name: "rotationStep"
|
|
29244
|
+
name: "rotationStep",
|
|
29245
|
+
"data-testid": "rotation-step"
|
|
29209
29246
|
}), jsxRuntime.jsx(Field, {
|
|
29210
29247
|
name: "showValenceWarnings"
|
|
29211
29248
|
}), jsxRuntime.jsx(Field, {
|
|
29212
29249
|
name: "atomColoring"
|
|
29213
29250
|
}), jsxRuntime.jsx(Field, {
|
|
29214
29251
|
name: "font",
|
|
29215
|
-
component: SystemFonts
|
|
29216
|
-
"data-testid": "font"
|
|
29252
|
+
component: SystemFonts
|
|
29217
29253
|
}), jsxRuntime.jsx(Field, {
|
|
29218
29254
|
name: "fontsz",
|
|
29219
29255
|
component: MeasureInput,
|
|
@@ -29388,6 +29424,7 @@ var SettingsDialog = function SettingsDialog(props) {
|
|
|
29388
29424
|
var ACSStyleButton = jsxRuntime.jsx("button", {
|
|
29389
29425
|
className: classes$w.acsStyleButton,
|
|
29390
29426
|
onClick: onACSStyle,
|
|
29427
|
+
"data-testid": "acs-style-button",
|
|
29391
29428
|
children: "Set ACS Settings"
|
|
29392
29429
|
}, "acsstylebutton");
|
|
29393
29430
|
var tabs = [generalTab, stereoTab, atomsTab, bondsTab, serverTab, threeDViewerTab, debuggingTab];
|
|
@@ -29872,10 +29909,12 @@ var DialogActionButton = function DialogActionButton(_ref) {
|
|
|
29872
29909
|
label = _ref.label,
|
|
29873
29910
|
title = _ref.title,
|
|
29874
29911
|
styles = _ref.styles,
|
|
29875
|
-
disabled = _ref.disabled
|
|
29912
|
+
disabled = _ref.disabled,
|
|
29913
|
+
testId = _ref.testId;
|
|
29876
29914
|
return jsxRuntime.jsx("input", {
|
|
29877
29915
|
type: "button",
|
|
29878
29916
|
className: styles,
|
|
29917
|
+
"data-testid": testId,
|
|
29879
29918
|
value: label,
|
|
29880
29919
|
title: title || label,
|
|
29881
29920
|
disabled: disabled,
|
|
@@ -30966,7 +31005,7 @@ var styles$b = {"optionsContainer":"OpenOptions-module_optionsContainer__-WqT8",
|
|
|
30966
31005
|
|
|
30967
31006
|
var styles$a = {"isHovered":"FileDrop-module_isHovered__c-CDn","isDisabled":"FileDrop-module_isDisabled__Ejuyq"};
|
|
30968
31007
|
|
|
30969
|
-
var _excluded$9 = ["buttonLabel", "textLabel", "iconName", "disabled", "disabledText"];
|
|
31008
|
+
var _excluded$9 = ["buttonLabel", "textLabel", "iconName", "disabled", "disabledText", "testId"];
|
|
30970
31009
|
function ownKeys$r(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
|
|
30971
31010
|
function _objectSpread$r(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$r(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$r(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
|
|
30972
31011
|
var FileDrop = function FileDrop(_ref) {
|
|
@@ -30975,6 +31014,7 @@ var FileDrop = function FileDrop(_ref) {
|
|
|
30975
31014
|
iconName = _ref.iconName,
|
|
30976
31015
|
disabled = _ref.disabled,
|
|
30977
31016
|
disabledText = _ref.disabledText,
|
|
31017
|
+
testId = _ref.testId,
|
|
30978
31018
|
rest = _objectWithoutProperties__default["default"](_ref, _excluded$9);
|
|
30979
31019
|
var _useDropzone = reactDropzone.useDropzone(_objectSpread$r({
|
|
30980
31020
|
multiple: false,
|
|
@@ -30989,6 +31029,7 @@ var FileDrop = function FileDrop(_ref) {
|
|
|
30989
31029
|
return classes.join(' ');
|
|
30990
31030
|
}, [isDragActive]);
|
|
30991
31031
|
return jsxRuntime.jsxs("div", _objectSpread$r(_objectSpread$r({
|
|
31032
|
+
"data-testid": testId,
|
|
30992
31033
|
onKeyDown: open
|
|
30993
31034
|
}, getRootProps({
|
|
30994
31035
|
className: getClassesString
|
|
@@ -31035,6 +31076,7 @@ var OpenOptions = function OpenOptions(_ref) {
|
|
|
31035
31076
|
children: [jsxRuntime.jsxs("div", {
|
|
31036
31077
|
onClick: selectClipboard,
|
|
31037
31078
|
className: styles$b.dropContainer,
|
|
31079
|
+
"data-testid": "paste-from-clipboard-button",
|
|
31038
31080
|
children: [jsxRuntime.jsx("div", {
|
|
31039
31081
|
className: styles$b.dropIconWrapper,
|
|
31040
31082
|
children: jsxRuntime.jsx(Icon, {
|
|
@@ -31056,7 +31098,8 @@ var OpenOptions = function OpenOptions(_ref) {
|
|
|
31056
31098
|
},
|
|
31057
31099
|
buttonLabel: "Open from file",
|
|
31058
31100
|
textLabel: "or drag file here",
|
|
31059
|
-
iconName: ICON_NAMES.FILE
|
|
31101
|
+
iconName: ICON_NAMES.FILE,
|
|
31102
|
+
testId: "open-from-file-button"
|
|
31060
31103
|
}), jsxRuntime.jsx(FileDrop, {
|
|
31061
31104
|
accept: "image/*",
|
|
31062
31105
|
disabled: isRecognizeDisabled,
|
|
@@ -31067,7 +31110,8 @@ var OpenOptions = function OpenOptions(_ref) {
|
|
|
31067
31110
|
},
|
|
31068
31111
|
buttonLabel: "Open from image",
|
|
31069
31112
|
textLabel: "or drag file here",
|
|
31070
|
-
iconName: ICON_NAMES.IMAGE
|
|
31113
|
+
iconName: ICON_NAMES.IMAGE,
|
|
31114
|
+
testId: "open-from-image-button"
|
|
31071
31115
|
})]
|
|
31072
31116
|
});
|
|
31073
31117
|
};
|
|
@@ -31076,11 +31120,13 @@ var TextEditor = function TextEditor(_ref) {
|
|
|
31076
31120
|
var structStr = _ref.structStr,
|
|
31077
31121
|
inputHandler = _ref.inputHandler,
|
|
31078
31122
|
_ref$autoFocus = _ref.autoFocus,
|
|
31079
|
-
autoFocus = _ref$autoFocus === void 0 ? false : _ref$autoFocus
|
|
31123
|
+
autoFocus = _ref$autoFocus === void 0 ? false : _ref$autoFocus,
|
|
31124
|
+
testId = _ref.testId;
|
|
31080
31125
|
return jsxRuntime.jsx(jsxRuntime.Fragment, {
|
|
31081
31126
|
children: jsxRuntime.jsx("textarea", {
|
|
31082
31127
|
className: classes$m.textareaEditor,
|
|
31083
31128
|
value: structStr,
|
|
31129
|
+
"data-testid": testId,
|
|
31084
31130
|
onChange: function onChange(event) {
|
|
31085
31131
|
return inputHandler(event.target.value);
|
|
31086
31132
|
},
|
|
@@ -31239,7 +31285,9 @@ var ViewSwitcher = function ViewSwitcher(props) {
|
|
|
31239
31285
|
case props.states.idle:
|
|
31240
31286
|
return jsxRuntime.jsx(OpenOptions, _objectSpread$p({}, props));
|
|
31241
31287
|
case props.states.textEditor:
|
|
31242
|
-
return jsxRuntime.jsx(TextEditor, _objectSpread$p({}, props)
|
|
31288
|
+
return jsxRuntime.jsx(TextEditor, _objectSpread$p(_objectSpread$p({}, props), {}, {
|
|
31289
|
+
testId: "open-structure-textarea"
|
|
31290
|
+
}));
|
|
31243
31291
|
case props.states.presentationViewer:
|
|
31244
31292
|
return jsxRuntime.jsx(CDXStructuresViewer, _objectSpread$p({}, props));
|
|
31245
31293
|
default:
|
|
@@ -31268,6 +31316,7 @@ var FooterContent$1 = function FooterContent(_ref) {
|
|
|
31268
31316
|
children: [jsxRuntime.jsx("button", {
|
|
31269
31317
|
onClick: onCancel,
|
|
31270
31318
|
className: classes$m.cancelButton,
|
|
31319
|
+
"data-testid": "cancel-button",
|
|
31271
31320
|
children: "Cancel"
|
|
31272
31321
|
}), jsxRuntime.jsxs("div", {
|
|
31273
31322
|
className: classes$m.buttonsContainer,
|
|
@@ -31275,13 +31324,15 @@ var FooterContent$1 = function FooterContent(_ref) {
|
|
|
31275
31324
|
disabled: !structStr,
|
|
31276
31325
|
clickHandler: openHandler,
|
|
31277
31326
|
styles: classes$m.openButton,
|
|
31278
|
-
label: "Open as New Project"
|
|
31327
|
+
label: "Open as New Project",
|
|
31328
|
+
testId: "open-as-new-button"
|
|
31279
31329
|
}, "openButton"), jsxRuntime.jsx(DialogActionButton, {
|
|
31280
31330
|
disabled: !structStr || isAddToCanvasDisabled,
|
|
31281
31331
|
clickHandler: copyHandler,
|
|
31282
31332
|
styles: classes$m.copyButton,
|
|
31283
31333
|
label: "Add to Canvas",
|
|
31284
|
-
title: "Structure will be loaded as fragment and added to Clipboard"
|
|
31334
|
+
title: "Structure will be loaded as fragment and added to Clipboard",
|
|
31335
|
+
testId: "add-to-canvas-button"
|
|
31285
31336
|
}, "copyButton")]
|
|
31286
31337
|
})]
|
|
31287
31338
|
});
|
|
@@ -31843,8 +31894,7 @@ var SaveDialog = function (_Component) {
|
|
|
31843
31894
|
})
|
|
31844
31895
|
});
|
|
31845
31896
|
};
|
|
31846
|
-
var PreviewContent = function PreviewContent(
|
|
31847
|
-
var format = _ref3.format;
|
|
31897
|
+
var PreviewContent = function PreviewContent() {
|
|
31848
31898
|
return jsxRuntime.jsxs("div", {
|
|
31849
31899
|
className: classes$k.previewBackground,
|
|
31850
31900
|
children: [jsxRuntime.jsx("textarea", {
|
|
@@ -31852,7 +31902,7 @@ var SaveDialog = function (_Component) {
|
|
|
31852
31902
|
className: classes$k.previewArea,
|
|
31853
31903
|
readOnly: true,
|
|
31854
31904
|
ref: _this.textAreaRef,
|
|
31855
|
-
"data-testid": "
|
|
31905
|
+
"data-testid": "preview-area-text"
|
|
31856
31906
|
}), jsxRuntime.jsx(IconButton, {
|
|
31857
31907
|
onClick: _this.handleCopy,
|
|
31858
31908
|
iconName: "copy",
|
|
@@ -31913,6 +31963,7 @@ var SaveDialog = function (_Component) {
|
|
|
31913
31963
|
onClick: function onClick() {
|
|
31914
31964
|
return _this.props.onTmplSave(_this.props.struct);
|
|
31915
31965
|
},
|
|
31966
|
+
"data-testid": "save-to-templates-button",
|
|
31916
31967
|
children: "Save to Templates"
|
|
31917
31968
|
}, "save-tmpl")];
|
|
31918
31969
|
buttons.push( jsxRuntime.jsx("button", {
|
|
@@ -31922,6 +31973,7 @@ var SaveDialog = function (_Component) {
|
|
|
31922
31973
|
return _this.props.onOk({});
|
|
31923
31974
|
},
|
|
31924
31975
|
type: "button",
|
|
31976
|
+
"data-testid": "cancel-button",
|
|
31925
31977
|
children: "Cancel"
|
|
31926
31978
|
}, "cancel"));
|
|
31927
31979
|
if (_this.isImageFormat(format)) {
|
|
@@ -31932,6 +31984,7 @@ var SaveDialog = function (_Component) {
|
|
|
31932
31984
|
filename: filename,
|
|
31933
31985
|
type: "image/".concat(format, "+xml"),
|
|
31934
31986
|
onSave: _this.props.onOk,
|
|
31987
|
+
testId: "save-button",
|
|
31935
31988
|
disabled: disableControls || !formState.valid || isCleanStruct || !_this.props.server,
|
|
31936
31989
|
className: classes$k.ok,
|
|
31937
31990
|
children: "Save"
|
|
@@ -31940,6 +31993,7 @@ var SaveDialog = function (_Component) {
|
|
|
31940
31993
|
buttons.push( jsxRuntime.jsx(SaveButton$1, {
|
|
31941
31994
|
mode: "saveFile",
|
|
31942
31995
|
data: savingStruct,
|
|
31996
|
+
testId: "save-button",
|
|
31943
31997
|
filename: filename + ketcherCore.getPropertiesByFormat(format).extensions[0],
|
|
31944
31998
|
type: format.mime,
|
|
31945
31999
|
server: _this.props.server,
|
|
@@ -35204,8 +35258,8 @@ var KetcherBuilder = function () {
|
|
|
35204
35258
|
cleanup = initApp(element, appRoot, staticResourcesUrl, {
|
|
35205
35259
|
buttons: buttons || {},
|
|
35206
35260
|
errorHandler: errorHandler || null,
|
|
35207
|
-
version: "3.
|
|
35208
|
-
buildDate: "2025-
|
|
35261
|
+
version: "3.4.0-rc.1" ,
|
|
35262
|
+
buildDate: "2025-05-01T08:13:25" ,
|
|
35209
35263
|
buildNumber: '',
|
|
35210
35264
|
customButtons: customButtons || []
|
|
35211
35265
|
}, structService, resolve, togglerComponent);
|
|
@@ -35497,7 +35551,7 @@ var ModeControl = function ModeControl(_ref3) {
|
|
|
35497
35551
|
function ownKeys(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
|
|
35498
35552
|
function _objectSpread(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys(Object(t), !0).forEach(function (r) { _defineProperty__default["default"](e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
|
|
35499
35553
|
var MacromoleculesEditor = React.lazy(function () {
|
|
35500
|
-
return Promise.resolve().then(function () { return require('./index.modern-
|
|
35554
|
+
return Promise.resolve().then(function () { return require('./index.modern-a314d918.js'); });
|
|
35501
35555
|
});
|
|
35502
35556
|
var Editor = function Editor(props) {
|
|
35503
35557
|
var _useState = React.useState(false),
|