| 6TW5_9M2_CCC_501 |
| RDKit 3D |
|
|
| 59 62 0 0 0 0 0 0 0 0999 V2000 |
| 0.0337 -3.0156 -3.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7042 -0.9704 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4425 -0.8727 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5545 -1.8080 -1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8667 -2.7947 -2.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4579 -1.6181 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0482 -2.1056 1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9780 -0.4549 2.1573 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8225 -1.9946 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0556 -1.3540 1.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9159 -2.4578 -4.6782 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1131 -2.2489 -3.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4479 -1.2649 -2.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6221 -1.0378 -1.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0316 -1.0841 2.8805 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6804 -0.2981 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6287 0.3565 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3663 1.4532 0.5432 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5400 1.8103 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5101 2.6369 0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8507 -0.0859 -0.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1173 0.5730 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1579 -0.2964 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4752 0.3909 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8921 1.2494 1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1306 1.6529 2.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1314 1.7089 1.1246 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5228 1.1358 -0.0237 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8476 1.4117 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5605 0.3424 -0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7675 -0.3801 -1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2706 -3.7776 -4.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0204 -0.5941 -1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7632 -3.4014 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.0746 -2.5921 1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8146 -0.1233 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4988 -2.3660 3.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3522 -0.6994 -2.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1131 0.7119 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3328 -0.4217 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.1024 2.6192 0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2255 0.9591 -0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2678 2.1306 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1509 3.0232 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0615 3.4370 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6402 2.4194 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4475 0.9254 -1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9558 1.4846 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2865 -1.2470 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7774 -0.5781 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8830 0.7737 3.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1995 2.1522 2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7060 2.3408 3.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4571 1.8514 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3022 0.4740 -0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.7541 2.1127 -1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1472 0.2953 -2.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8328 -0.8125 -2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4852 -1.1957 -1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2 3 1 0 |
| 1 5 2 0 |
| 4 5 1 0 |
| 4 6 1 0 |
| 2 6 2 0 |
| 6 7 1 0 |
| 7 9 2 0 |
| 3 10 1 0 |
| 9 10 1 0 |
| 11 12 1 0 |
| 1 12 1 0 |
| 12 13 2 0 |
| 13 14 1 0 |
| 4 14 2 0 |
| 10 15 2 0 |
| 8 15 1 0 |
| 3 16 2 0 |
| 8 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 18 20 1 0 |
| 14 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 24 25 1 0 |
| 25 26 1 0 |
| 25 27 2 0 |
| 27 28 1 0 |
| 28 29 1 0 |
| 24 30 2 0 |
| 28 30 1 0 |
| 30 31 1 0 |
| 1 32 1 0 |
| 2 33 1 0 |
| 5 34 1 0 |
| 7 35 1 0 |
| 8 36 1 0 |
| 9 37 1 0 |
| 13 38 1 0 |
| 17 39 1 0 |
| 17 40 1 0 |
| 19 41 1 0 |
| 19 42 1 0 |
| 19 43 1 0 |
| 20 44 1 0 |
| 20 45 1 0 |
| 20 46 1 0 |
| 22 47 1 0 |
| 22 48 1 0 |
| 23 49 1 0 |
| 23 50 1 0 |
| 26 51 1 0 |
| 26 52 1 0 |
| 26 53 1 0 |
| 29 54 1 0 |
| 29 55 1 0 |
| 29 56 1 0 |
| 31 57 1 0 |
| 31 58 1 0 |
| 31 59 1 0 |
| M END |
| $$$$ |
|
|
