| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -2.5840 -2.9746 0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0818 -4.3108 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1707 -4.0897 -0.7618 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.3491 -3.6415 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.0419 -2.6147 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7155 -1.9510 0.7359 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.4438 -0.7558 1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2344 0.0251 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2923 0.8617 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1598 1.5650 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0233 -0.0916 1.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1077 0.6095 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0469 1.4394 0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2282 2.1491 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5094 3.5448 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6301 4.6777 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5381 4.5370 0.4524 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2291 5.9116 -0.0466 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5161 7.1571 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2035 7.5647 -1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7726 3.7446 -0.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3127 2.4933 -0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3944 1.5359 -0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8398 0.1613 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9886 -0.7599 -1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3410 -2.1142 -1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3654 -3.0393 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8813 -4.1834 -1.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9240 -3.5630 -3.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5848 -2.5286 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9576 -3.8350 -1.1709 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4513 -1.6308 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0812 -0.2950 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9921 0.5094 0.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8064 -2.5529 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1950 -3.1010 1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4026 -4.9884 0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2736 -4.8086 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8771 -4.5066 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0037 -3.1925 -0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8204 -1.8464 1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9494 -3.0951 2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7823 -1.6132 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3457 -1.1152 2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3302 -0.1108 1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2189 0.9978 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2315 2.2230 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9392 -0.7188 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0362 0.5086 2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1790 5.9228 -0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2023 7.0522 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2506 7.9184 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7158 8.5214 -1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9483 6.8160 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.5022 7.6707 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0337 -0.4144 -1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4699 -2.4549 -2.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4972 -3.8010 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6745 -4.9028 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0708 -4.7341 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1538 -4.1170 -4.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7729 -4.2381 -3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2600 -2.7374 -4.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8812 -3.9331 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4184 -1.9509 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7550 1.4441 0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 1 6 1 0 | |
| 2 3 1 0 | |
| 3 4 1 0 | |
| 4 5 1 0 | |
| 5 6 1 0 | |
| 6 7 1 0 | |
| 7 8 1 0 | |
| 8 9 2 0 | |
| 8 11 1 0 | |
| 9 10 1 0 | |
| 10 13 2 0 | |
| 11 12 2 0 | |
| 12 13 1 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 14 23 2 0 | |
| 15 16 1 0 | |
| 15 21 2 0 | |
| 16 17 2 0 | |
| 16 18 1 0 | |
| 18 19 1 0 | |
| 19 20 1 0 | |
| 21 22 1 0 | |
| 22 23 1 0 | |
| 23 24 1 0 | |
| 24 25 2 0 | |
| 24 33 1 0 | |
| 25 26 1 0 | |
| 26 27 1 0 | |
| 26 30 2 0 | |
| 27 28 1 0 | |
| 27 29 1 0 | |
| 30 31 1 0 | |
| 30 32 1 0 | |
| 32 33 2 0 | |
| 33 34 1 0 | |
| 1 35 1 0 | |
| 1 36 1 0 | |
| 2 37 1 0 | |
| 2 38 1 0 | |
| 4 39 1 0 | |
| 4 40 1 0 | |
| 5 41 1 0 | |
| 5 42 1 0 | |
| 6 43 1 0 | |
| 7 44 1 0 | |
| 7 45 1 0 | |
| 9 46 1 0 | |
| 10 47 1 0 | |
| 11 48 1 0 | |
| 12 49 1 0 | |
| 18 50 1 0 | |
| 19 51 1 0 | |
| 19 52 1 0 | |
| 20 53 1 0 | |
| 20 54 1 0 | |
| 20 55 1 0 | |
| 25 56 1 0 | |
| 27 57 1 0 | |
| 28 58 1 0 | |
| 28 59 1 0 | |
| 28 60 1 0 | |
| 29 61 1 0 | |
| 29 62 1 0 | |
| 29 63 1 0 | |
| 31 64 1 0 | |
| 32 65 1 0 | |
| 34 66 1 0 | |
| M CHG 1 6 1 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |