|
|
| RDKit 3D |
|
|
| 31 34 0 0 0 0 0 0 0 0999 V2000 |
| -4.0356 -2.4434 -2.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1030 -1.6000 -2.8933 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3009 -1.2797 -1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6692 -1.8629 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0273 -2.8910 -0.8640 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1409 -1.6961 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2188 -0.4357 1.2192 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7762 -0.2392 2.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2705 -1.1889 3.2514 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1928 -2.4282 2.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6228 -2.7465 1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8922 1.0313 2.9851 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1755 -0.3786 -1.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1238 -0.7550 -1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2129 0.1023 -1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9963 1.3396 -2.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2978 1.7280 -2.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3783 0.8723 -2.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5208 -0.3901 -1.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6762 0.5773 -0.7693 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9715 1.6897 -1.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7357 -0.3113 -0.3386 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8698 1.1532 0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7357 2.5071 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1092 2.9339 2.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6201 1.9983 3.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7590 0.6372 2.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3802 0.2218 1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4753 -1.0936 1.3363 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1931 3.4447 0.0999 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3566 -1.9691 -1.0973 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 2 3 1 0 |
| 3 4 2 0 |
| 4 5 1 0 |
| 4 6 1 0 |
| 6 7 2 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 8 12 1 0 |
| 3 13 1 0 |
| 13 14 2 0 |
| 14 15 1 0 |
| 15 16 2 0 |
| 16 17 1 0 |
| 17 18 2 0 |
| 15 19 1 0 |
| 19 20 1 0 |
| 20 21 2 0 |
| 20 22 2 0 |
| 20 23 1 0 |
| 23 24 2 0 |
| 24 25 1 0 |
| 25 26 2 0 |
| 26 27 1 0 |
| 27 28 2 0 |
| 28 29 1 0 |
| 24 30 1 0 |
| 14 31 1 0 |
| 5 1 1 0 |
| 11 6 1 0 |
| 18 13 1 0 |
| 28 23 1 0 |
| M END |
| $$$$ |
|
|
