| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -5.1098 0.0365 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8256 0.3184 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3387 -0.8710 2.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9114 -1.7672 1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8144 -2.3641 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6400 -1.4066 0.1128 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.7079 -1.7663 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4043 -1.0207 -0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4571 -1.3288 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3044 -0.5524 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1515 0.0435 -1.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0012 0.8196 -1.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0845 0.5399 -0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0444 1.4176 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0815 2.7770 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0428 3.6663 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2205 3.3260 0.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3427 4.9251 0.7252 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6016 6.0028 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0280 7.0981 1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3534 3.2027 0.1036 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1481 2.1241 -0.2309 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3694 1.0557 -0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1003 -0.1457 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0395 -0.6807 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7719 -1.8460 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7675 -2.3615 0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.3935 -3.7479 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2091 -2.3294 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5455 -2.4613 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2397 -3.5929 -1.8891 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6251 -1.9415 -2.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9084 -0.7885 -2.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0197 -0.2726 -3.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2548 0.7068 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7863 0.1563 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1242 0.7690 2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.6448 1.0304 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.6614 -1.2337 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.4311 -2.5666 1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4083 -3.2800 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1977 -2.5814 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1114 -1.5100 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5168 -2.8441 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2394 -1.5748 -1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6060 -2.1612 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4072 -0.7884 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8547 0.3064 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8345 1.6618 -2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3327 5.1371 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8458 6.3973 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5225 5.6058 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7540 7.9065 1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8802 7.5196 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2338 6.7098 2.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2031 -0.1776 0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7367 -1.6864 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3643 -3.7587 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4775 -4.5243 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0540 -4.0313 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3785 -3.0400 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4706 -1.3308 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9074 -2.5830 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.0721 -3.8353 -2.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4672 -2.4348 -3.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1530 -0.7094 -3.9231 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 | |
| $$$$ | |