| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -4.7258 -3.2336 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0484 -2.8816 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.9237 -2.9718 -1.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9254 -2.0800 -1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.5490 -2.3901 -1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6025 -2.3403 0.5173 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.6343 -0.9495 1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3813 -0.1667 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3985 0.9091 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2234 1.6039 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1707 -0.5188 1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0019 0.1774 1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0152 1.2357 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2121 1.9213 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6160 3.2821 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8609 4.4106 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3014 4.3098 0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5701 5.5916 0.6196 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9972 6.8353 1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2158 7.5350 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8693 3.4497 -0.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2934 2.2054 -0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3029 1.2968 -0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5987 -0.0572 -1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4803 -0.8393 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7373 -2.1852 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6803 -3.0244 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.0442 -3.3450 1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0484 -2.3595 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0858 -2.7272 -1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2985 -4.0357 -2.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.2146 -1.9644 -2.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.9774 -0.6354 -2.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1108 0.0501 -3.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4219 -4.2572 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.7833 -3.1290 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3935 -1.8775 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.8238 -3.5898 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2315 -1.0453 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.8898 -2.2161 -2.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7738 -1.7060 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2492 -3.4151 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.7222 -2.7596 0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5254 -0.4367 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7483 -1.0652 2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.3215 1.2288 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2634 2.4374 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1188 -1.3294 2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.9308 -0.1119 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5060 5.5870 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.8227 7.4692 1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3436 6.6329 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6210 6.9176 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8553 7.7415 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1867 8.4852 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9604 -0.3951 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8725 -3.9786 -0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0906 -3.8682 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7025 -3.9874 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.8453 -2.4406 2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.4899 -2.0916 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.7393 -3.0415 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9862 -1.4485 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1333 -4.1491 -3.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.7156 -2.3911 -3.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3058 1.0014 -2.9619 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 | |
| $$$$ | |