| 6e3z_ligand |
| RDKit 3D |
|
|
| 45 47 0 0 0 0 0 0 0 0999 V2000 |
| -2.7667 0.5241 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0708 -1.9128 1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9023 -1.1392 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1432 -0.1974 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4074 -0.3626 0.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5410 1.5684 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2338 -0.9013 -0.1845 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.8309 2.3497 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8858 2.4716 1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2490 3.5992 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3552 4.1096 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1202 3.4824 -0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6386 -1.4719 1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6378 -2.4268 1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6001 -2.2666 1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9807 -1.9838 -2.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7174 -3.2075 -1.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4039 -1.9185 -0.0476 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.9063 -2.9642 1.4750 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8320 -0.7954 1.4562 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2103 -1.9083 2.3642 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4862 -3.2542 1.4698 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4642 0.5410 0.7651 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7014 1.8301 0.8664 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8290 -0.9232 -1.6414 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5216 -1.9913 -3.6572 N 0 0 0 0 0 4 0 0 0 0 0 0 |
| 1.6888 1.8066 -1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.9870 -3.2145 -0.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7680 4.3518 0.5620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0649 4.1815 -1.9954 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1038 1.3062 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7309 0.6845 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8971 0.7025 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0386 0.6939 -0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5533 2.0395 1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6188 4.9957 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6004 -1.6255 2.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8183 -3.3115 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.6729 -3.2857 -2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1327 -4.1054 -2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.2066 -1.6091 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3173 0.4095 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3226 -0.1209 -2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0111 -1.2077 -4.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6390 -2.8015 -4.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7 1 1 1 |
| 18 2 1 0 |
| 2 19 1 0 |
| 2 20 1 0 |
| 2 21 1 0 |
| 3 4 2 0 |
| 7 3 1 0 |
| 3 15 1 0 |
| 4 5 1 0 |
| 5 13 2 0 |
| 5 23 1 0 |
| 6 8 1 0 |
| 23 6 1 0 |
| 6 27 2 0 |
| 7 18 1 0 |
| 25 7 1 0 |
| 8 12 1 0 |
| 8 24 2 0 |
| 9 10 2 0 |
| 24 9 1 0 |
| 11 10 1 0 |
| 10 29 1 0 |
| 12 11 2 0 |
| 12 30 1 0 |
| 14 13 1 0 |
| 15 14 2 0 |
| 15 22 1 0 |
| 16 17 1 0 |
| 16 25 1 0 |
| 16 26 2 0 |
| 17 28 1 0 |
| 18 28 1 0 |
| 1 31 1 0 |
| 1 32 1 0 |
| 1 33 1 0 |
| 4 34 1 0 |
| 9 35 1 0 |
| 11 36 1 0 |
| 13 37 1 0 |
| 14 38 1 0 |
| 17 39 1 0 |
| 17 40 1 0 |
| 18 41 1 6 |
| 23 42 1 0 |
| 25 43 1 0 |
| 26 44 1 0 |
| 26 45 1 0 |
| M CHG 1 26 1 |
| M END |
| > <_TriposChargeType> (1) |
| GAST_HUCK |
|
|
| $$$$ |
|
|
