|
|
| RDKit 3D |
|
|
| 33 35 0 0 0 0 0 0 0 0999 V2000 |
| 6.2815 -2.0651 2.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2250 -2.6199 2.5162 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3857 -0.7550 1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3378 -0.9718 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9947 0.2793 2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9924 -0.2608 0.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3256 -1.1187 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8986 -0.7204 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4778 0.1768 -1.1557 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1170 0.2381 -0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1852 1.0361 -1.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1696 0.9281 -1.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5893 0.0322 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6625 -0.7665 0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6867 -0.6391 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8418 -1.2436 0.4293 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9408 -2.2426 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9721 -0.0062 -0.0619 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6633 -0.7697 0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1994 -1.5905 1.6362 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1428 -0.5106 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5775 0.4177 -0.0718 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9165 0.6744 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8199 0.0167 0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3470 -0.9270 1.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9849 -1.1986 1.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4529 1.7028 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4933 2.2968 -1.8696 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3470 1.1622 -1.9840 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1194 2.7208 -0.4870 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1807 1.6538 -1.9352 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8148 2.5676 -2.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0839 3.2362 -3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 0 |
| 3 4 1 0 |
| 3 5 1 0 |
| 3 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 2 0 |
| 9 10 1 0 |
| 10 11 2 0 |
| 11 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 13 18 1 0 |
| 18 19 1 0 |
| 19 20 2 0 |
| 19 21 1 0 |
| 21 22 2 0 |
| 22 23 1 0 |
| 23 24 2 0 |
| 24 25 1 0 |
| 25 26 2 0 |
| 23 27 1 0 |
| 27 28 1 0 |
| 27 29 1 0 |
| 27 30 1 0 |
| 12 31 1 0 |
| 31 32 1 0 |
| 32 33 1 0 |
| 16 8 1 0 |
| 15 10 1 0 |
| 26 21 1 0 |
| M END |
| $$$$ |
|
|
