Spaces:
Runtime error
Runtime error
| example_1 | |
| OpenBabel10162201143D | |
| 23 23 0 0 0 0 0 0 0 0999 V2000 | |
| 1.7607 0.5222 2.9642 C 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 2.6964 -0.2235 2.2177 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3096 -0.7133 1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0374 -0.5914 0.4895 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 0.7447 -1.0988 -0.7748 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 1.7189 -1.7463 -1.5082 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 2.9908 -1.9020 -0.9738 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 3.3059 -1.3917 0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5236 -1.4769 0.8717 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5651 -2.1202 0.1811 C 0 0 0 0 0 1 0 0 0 0 0 0 | |
| -1.5356 1.4890 0.7225 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9292 0.8049 -0.2055 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| -3.1330 0.2346 -0.2776 N 0 0 0 0 0 2 0 0 0 0 0 0 | |
| -4.0925 0.2460 0.8072 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| -4.2119 -1.1551 1.4241 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| -5.2662 -1.8357 0.5573 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| -6.3102 -0.7361 0.3683 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| -5.5003 0.5663 0.2683 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 0.8985 1.5439 -2.6786 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 0.0863 1.4407 -1.5888 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 0.5652 2.5273 -0.3347 S 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8586 3.1109 -1.3037 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 1.9172 2.5055 -2.5161 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 2 1 1 0 0 0 0 | |
| 3 2 1 0 0 0 0 | |
| 4 3 1 0 0 0 0 | |
| 5 4 2 0 0 0 0 | |
| 6 7 2 0 0 0 0 | |
| 6 5 1 0 0 0 0 | |
| 7 8 1 0 0 0 0 | |
| 8 9 1 0 0 0 0 | |
| 8 3 2 0 0 0 0 | |
| 10 9 1 0 0 0 0 | |
| 12 11 2 0 0 0 0 | |
| 13 12 1 0 0 0 0 | |
| 13 14 1 0 0 0 0 | |
| 14 15 1 0 0 0 0 | |
| 16 15 1 0 0 0 0 | |
| 17 16 1 0 0 0 0 | |
| 18 17 1 0 0 0 0 | |
| 18 14 1 0 0 0 0 | |
| 19 23 1 0 0 0 0 | |
| 19 20 2 0 0 0 0 | |
| 20 21 1 0 0 0 0 | |
| 22 21 1 0 0 0 0 | |
| 23 22 2 0 0 0 0 | |
| M END | |
| $$$$ | |