| 6e6j_ligand |
| RDKit 3D |
|
|
| 66 69 0 0 0 0 0 0 0 0999 V2000 |
| -0.6945 -0.3149 2.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0119 -0.2688 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9510 -0.2159 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4259 0.1571 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1900 0.1092 1.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6113 -0.3965 4.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4265 -0.6403 1.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6871 2.5404 -2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0056 0.2657 -2.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9942 -2.2939 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5786 -3.9344 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8454 -3.6945 1.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7117 -2.8023 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3075 -1.2069 -0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4571 4.7598 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4687 -1.0447 0.8065 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4821 0.1038 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6592 -1.1167 -1.3275 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8480 -1.2139 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0665 0.6041 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1693 1.9962 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0961 1.6460 -3.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5251 -0.2635 -1.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1372 -3.2397 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2129 -3.5753 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4524 -0.9833 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3115 -2.1103 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8020 4.0520 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8765 4.6230 -1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.1365 -0.7328 0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6386 -0.7354 3.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2514 -4.3499 2.7907 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7446 -0.9664 1.7298 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.1097 -1.1404 4.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4977 -1.6426 -1.6649 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2179 4.3425 -3.6263 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9825 -0.0169 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2419 0.3824 1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0834 -0.5819 4.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3123 -1.2185 3.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1643 0.5445 4.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3263 -0.4047 -3.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9403 -4.6632 1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7039 -2.6683 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2741 -1.3322 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1218 -0.1618 -0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3299 -1.4515 -0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3204 4.3370 -2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.5301 5.8244 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1091 4.6862 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3017 -0.6847 1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4973 0.8072 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9271 0.5770 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5126 -0.0570 -0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8936 -1.9281 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3882 -1.6419 1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8206 2.6650 -0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4894 2.0167 -4.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9271 -3.8035 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6334 -2.7493 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1268 -4.4455 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8544 4.1679 -1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6397 4.4568 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9987 5.7013 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3194 -1.3643 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2763 5.3085 -3.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5 1 1 0 |
| 1 6 1 0 |
| 31 1 1 0 |
| 2 3 1 0 |
| 30 2 2 0 |
| 3 4 1 0 |
| 3 7 2 0 |
| 4 5 2 0 |
| 4 20 1 0 |
| 7 31 1 0 |
| 7 33 1 0 |
| 21 8 2 0 |
| 8 22 1 0 |
| 8 28 1 0 |
| 9 22 2 0 |
| 23 9 1 0 |
| 10 24 2 0 |
| 10 27 1 0 |
| 35 10 1 0 |
| 11 12 2 0 |
| 24 11 1 0 |
| 13 12 1 0 |
| 12 32 1 0 |
| 27 13 2 0 |
| 27 14 1 0 |
| 28 15 1 0 |
| 16 19 1 0 |
| 26 16 1 0 |
| 19 17 1 0 |
| 26 18 2 0 |
| 20 21 1 0 |
| 20 23 2 0 |
| 23 35 1 0 |
| 24 25 1 0 |
| 26 30 1 0 |
| 28 29 1 0 |
| 28 36 1 0 |
| 30 33 1 0 |
| 31 34 2 0 |
| 2 37 1 0 |
| 5 38 1 0 |
| 6 39 1 0 |
| 6 40 1 0 |
| 6 41 1 0 |
| 9 42 1 0 |
| 11 43 1 0 |
| 13 44 1 0 |
| 14 45 1 0 |
| 14 46 1 0 |
| 14 47 1 0 |
| 15 48 1 0 |
| 15 49 1 0 |
| 15 50 1 0 |
| 16 51 1 0 |
| 17 52 1 0 |
| 17 53 1 0 |
| 17 54 1 0 |
| 19 55 1 0 |
| 19 56 1 0 |
| 21 57 1 0 |
| 22 58 1 0 |
| 25 59 1 0 |
| 25 60 1 0 |
| 25 61 1 0 |
| 29 62 1 0 |
| 29 63 1 0 |
| 29 64 1 0 |
| 33 65 1 0 |
| 36 66 1 0 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
