| 6XM9_V55_A_501 |
| RDKit 3D |
|
|
| 19 19 0 0 0 0 0 0 0 0999 V2000 |
| 1.3587 -0.6602 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0250 -0.8439 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8505 0.0830 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2621 1.1972 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1263 1.3791 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4204 -1.5386 -1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9380 0.4504 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2025 -1.6526 -1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1216 0.5997 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1747 -0.2566 0.0775 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0154 2.1344 1.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4813 -1.7086 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5946 2.2385 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0164 0.5942 0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6814 -2.5072 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1274 1.5907 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1130 0.1635 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9614 0.6512 1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4330 2.8249 1.7628 H 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 |
| 1 7 1 0 |
| 5 7 2 0 |
| 1 8 1 0 |
| 6 8 2 0 |
| 3 10 1 0 |
| 9 10 1 0 |
| 4 11 1 0 |
| 2 12 1 0 |
| 5 13 1 0 |
| 7 14 1 0 |
| 8 15 1 0 |
| 9 16 1 0 |
| 9 17 1 0 |
| 9 18 1 0 |
| 11 19 1 0 |
| M END |
| $$$$ |
|
|
