| 6cjp_ligand | |
| RDKit 3D | |
| 61 64 0 0 0 0 0 0 0 0999 V2000 | |
| 0.1214 -2.0094 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6901 -2.2555 -1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6771 -1.4144 -2.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1270 0.8899 -1.4484 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 2.4279 0.6469 -1.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.4895 1.9151 -1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5575 0.7820 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.5791 1.9089 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4546 0.6320 3.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9621 -0.5646 3.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2490 -0.6162 1.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0874 0.6403 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3081 0.9405 0.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4711 2.1805 -0.0155 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.4461 3.0448 0.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0432 1.2440 1.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7256 -1.8392 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3156 -1.3251 -1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6571 -1.5785 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9850 -2.3842 -1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2776 -0.0217 -2.6478 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.1388 1.1083 -2.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9878 1.8725 -1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4512 -0.5281 -1.7442 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7137 -0.3691 -1.1604 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8601 0.6895 -1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.8283 1.9619 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.8637 0.6876 -0.1811 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9360 -0.4407 -0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6027 -0.4896 -1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9271 -2.9851 2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6429 -2.9174 3.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7978 -4.0738 4.1833 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1680 -1.7147 3.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1356 -1.7145 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1893 -3.0762 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6123 -2.7696 -0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.6575 -1.6763 -2.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4562 0.5444 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4181 0.4336 -2.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9296 1.6078 -1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9367 2.8462 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1553 2.5225 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.6130 2.4626 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.6095 1.6599 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9270 0.4976 4.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5217 2.7246 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4032 2.5326 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6359 3.9980 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0403 3.2530 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.7563 -1.1084 -2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4508 -3.3625 -1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5863 0.0861 -3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2728 2.8024 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1564 1.4426 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.2657 2.9340 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4965 -1.3652 -0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1434 -1.4549 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5156 -3.9478 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2790 -3.8884 5.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7185 -1.6699 4.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 17 1 0 | |
| 18 1 1 0 | |
| 19 2 2 0 | |
| 2 20 1 0 | |
| 20 3 2 0 | |
| 3 21 1 0 | |
| 21 4 1 0 | |
| 22 4 1 0 | |
| 4 23 1 0 | |
| 25 5 1 0 | |
| 5 26 1 0 | |
| 26 6 2 0 | |
| 6 27 1 0 | |
| 27 7 2 0 | |
| 7 28 1 0 | |
| 7 29 1 0 | |
| 28 8 1 0 | |
| 10 9 1 0 | |
| 11 10 2 0 | |
| 10 34 1 0 | |
| 11 12 1 0 | |
| 17 11 1 0 | |
| 12 13 1 0 | |
| 12 16 2 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 14 23 1 0 | |
| 17 31 2 0 | |
| 18 19 1 0 | |
| 24 18 2 0 | |
| 21 22 1 0 | |
| 24 25 1 0 | |
| 26 30 1 0 | |
| 29 30 2 0 | |
| 31 32 1 0 | |
| 32 33 1 0 | |
| 32 34 2 0 | |
| 1 35 1 0 | |
| 1 36 1 0 | |
| 2 37 1 0 | |
| 3 38 1 0 | |
| 4 39 1 1 | |
| 5 40 1 0 | |
| 5 41 1 0 | |
| 6 42 1 0 | |
| 8 43 1 0 | |
| 8 44 1 0 | |
| 8 45 1 0 | |
| 9 46 1 0 | |
| 14 47 1 6 | |
| 15 48 1 0 | |
| 15 49 1 0 | |
| 15 50 1 0 | |
| 19 51 1 0 | |
| 20 52 1 0 | |
| 21 53 1 6 | |
| 23 54 1 0 | |
| 23 55 1 0 | |
| 27 56 1 0 | |
| 29 57 1 0 | |
| 30 58 1 0 | |
| 31 59 1 0 | |
| 33 60 1 0 | |
| 34 61 1 0 | |
| M END | |
| > <_TriposChargeType> (1) | |
| GAST_HUCK | |
| $$$$ | |