| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -5.1430 -0.1172 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9146 0.3661 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4633 -0.7135 2.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0046 -1.7416 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8760 -2.4710 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6886 -1.5469 0.2554 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.7143 -2.0782 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4147 -1.3229 -0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5045 -1.4570 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3593 -0.6592 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1325 -0.4145 -1.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9914 0.3859 -1.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1120 0.2830 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0037 1.1955 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0189 2.6076 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1206 3.5261 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2926 3.1605 -0.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2438 4.8428 -0.0108 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7119 5.9244 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1802 7.1602 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2836 3.0602 -0.2507 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0951 1.9501 -0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3340 0.8341 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0851 -0.4019 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9860 -0.7845 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7421 -1.9679 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7041 -2.3680 1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.6901 -1.2494 1.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.9380 -2.8224 2.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5671 -2.7687 -0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2758 -3.9324 -1.0332 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6840 -2.4054 -1.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9505 -1.2239 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1002 -0.8590 -2.8404 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2758 0.5234 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.7791 -0.1237 -0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2413 0.9205 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.7212 1.0483 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.7234 -1.3041 0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5550 -2.4467 1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4968 -3.3082 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.2171 -2.8400 -0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1980 -1.5176 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5245 -3.1283 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2114 -2.0460 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6770 -2.1656 1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3231 -0.7567 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.8068 -0.2898 -2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.8043 1.1114 -2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2349 5.0458 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9182 6.1397 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6477 5.5989 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9111 7.9727 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7499 7.5043 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0299 6.9532 1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0959 -0.1464 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3145 -3.2155 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2180 -0.8970 0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1932 -0.3871 2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.4397 -1.6107 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3447 -2.0089 2.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2549 -3.6439 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.6294 -3.1762 3.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.1505 -4.3172 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5655 -3.0407 -2.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2842 -1.4081 -3.6202 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 | |
| $$$$ | |