| 6cjp_ligand | |
| RDKit 3D | |
| 61 64 0 0 0 0 0 0 0 0999 V2000 | |
| -0.1633 -0.4173 1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0234 1.0521 -2.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3307 0.6889 -2.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8549 -1.6248 -2.0796 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| 3.6756 0.7228 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4950 0.1074 -1.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3739 -2.1499 -1.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3333 -4.3083 -1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0755 1.9789 3.2878 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7795 1.8699 2.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2710 0.7309 2.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2536 -0.3649 1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9655 -1.1324 0.8362 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9799 -2.0983 0.4648 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -3.9247 -3.2873 1.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2687 -0.4655 2.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.9045 0.7224 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2915 -0.0361 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7751 -0.0385 -1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0765 1.1741 -3.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9456 -0.1165 -1.9263 C 0 0 2 0 0 0 0 0 0 0 0 0 | |
| -5.1079 -0.9456 -2.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6792 -2.5960 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5076 0.2983 -0.6343 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3888 0.2056 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5699 -0.3019 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3829 -0.8122 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.3093 -2.9299 -2.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4536 -2.5701 -0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5659 -1.6469 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1198 1.8665 2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6611 2.9762 2.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0908 4.0828 2.9818 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9858 2.9828 3.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7464 -1.3389 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6935 -0.6870 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3737 1.9201 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9893 0.8939 -3.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4843 -2.0331 -3.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1601 1.0374 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5569 1.6199 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.5341 1.1455 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.5604 -4.4535 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.1333 -4.7808 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3928 -4.7976 -2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5169 1.1055 3.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9729 -1.6289 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.1894 -2.9820 2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.6161 -4.0776 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9123 -3.7086 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3546 -0.9435 -1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8001 1.7618 -3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9128 0.3565 -0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6410 -2.9414 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3076 -3.4644 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.0948 -0.4801 -2.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.4055 -3.6032 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8689 -1.9864 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9323 1.8770 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9351 4.0113 2.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4018 3.8478 3.6251 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 6 | |
| 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 1 | |
| 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 | |
| $$$$ | |