| 6e5s_ligand |
| RDKit 3D |
|
|
| 50 50 0 0 0 0 0 0 0 0999 V2000 |
| -3.6328 -0.2530 1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8562 0.3649 2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7403 1.8748 2.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5029 2.2331 2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2630 1.4495 2.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3097 0.3428 1.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0950 -0.3688 1.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2277 0.0931 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9993 -0.5684 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6547 -0.0422 -1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8966 -0.5069 -1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3874 0.0021 -2.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6384 -0.3779 -3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9350 0.1916 -4.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1547 -0.0065 -5.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7483 0.0256 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7164 -1.7827 1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0061 2.0211 3.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4394 -1.7950 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5218 -1.3874 -2.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7839 0.1184 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9531 -0.0726 3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6330 2.2712 2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6937 2.3538 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3146 3.3087 2.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7094 2.0580 4.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9586 -1.3386 1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4534 1.0509 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2282 0.8341 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4424 -1.2822 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8123 0.7825 -3.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2262 0.8971 -5.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5199 0.9691 -5.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9803 -0.4886 -4.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9041 -0.6039 -6.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7233 -0.2903 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6323 1.0901 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9845 -0.5175 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5460 -2.0463 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7042 -2.1654 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9808 -2.3257 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8197 3.0310 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1244 2.0834 4.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1093 1.4251 3.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6757 -2.5791 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3622 -2.2395 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6138 -1.5488 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4087 -1.6576 -3.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9769 -2.3232 -2.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8700 -0.9940 -1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 1 6 1 0 |
| 1 16 1 0 |
| 1 17 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 2 0 |
| 5 18 1 0 |
| 6 7 1 0 |
| 7 8 2 0 |
| 8 9 1 0 |
| 9 10 2 0 |
| 9 19 1 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 12 13 1 0 |
| 13 14 2 0 |
| 13 20 1 0 |
| 14 15 1 0 |
| 2 21 1 0 |
| 2 22 1 0 |
| 3 23 1 0 |
| 3 24 1 0 |
| 4 25 1 0 |
| 4 26 1 0 |
| 7 27 1 0 |
| 8 28 1 0 |
| 10 29 1 0 |
| 11 30 1 0 |
| 12 31 1 0 |
| 14 32 1 0 |
| 15 33 1 0 |
| 15 34 1 0 |
| 15 35 1 0 |
| 16 36 1 0 |
| 16 37 1 0 |
| 16 38 1 0 |
| 17 39 1 0 |
| 17 40 1 0 |
| 17 41 1 0 |
| 18 42 1 0 |
| 18 43 1 0 |
| 18 44 1 0 |
| 19 45 1 0 |
| 19 46 1 0 |
| 19 47 1 0 |
| 20 48 1 0 |
| 20 49 1 0 |
| 20 50 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
