| 6cjs_ligand | |
| RDKit 3D | |
| 66 69 0 0 0 0 0 0 0 0999 V2000 | |
| -2.8856 -2.9556 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1904 -4.3942 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5465 -4.7752 0.2206 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4873 -3.6964 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.1053 -2.5961 1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7555 -1.9853 0.8613 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| -3.8825 -0.6327 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5620 0.0753 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9584 0.6876 1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7279 1.3384 1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9061 0.1205 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.6759 0.7706 -1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0805 1.3866 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.1838 2.0799 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5359 3.4477 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6892 4.5536 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.5051 4.4191 0.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.3562 5.7553 0.4636 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6615 6.9939 0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.6043 8.0508 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8266 3.6567 -0.4591 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3261 2.4359 -0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3512 1.4907 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.7610 0.1474 -1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4846 -0.9259 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8263 -2.2512 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.5428 -3.3912 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3066 -3.2128 1.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0419 -3.5441 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4478 -2.4787 -1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7757 -3.7569 -2.2173 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7367 -1.4282 -2.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.4038 -0.1237 -2.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7229 0.8464 -3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8438 -2.6918 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.1259 -2.8086 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9968 -4.5327 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.5429 -5.0911 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.5703 -3.2936 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.4624 -4.1179 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.8527 -1.7993 1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.9717 -3.0134 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2618 -1.8178 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.3732 -0.7839 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5497 -0.0268 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.4442 0.6978 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2918 1.8302 1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3450 -0.3303 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1954 0.8089 -2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3001 5.7837 0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1494 6.8079 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2125 7.3287 -0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0665 8.9856 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0603 7.7234 2.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.4132 8.2543 0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.0110 -0.7239 0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8844 -4.3367 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.1515 -4.0775 2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.9844 -2.3200 2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.3829 -3.1201 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.8479 -4.4201 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.6224 -2.6703 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.4935 -3.6772 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2870 -3.7359 -3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2231 -1.6046 -3.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6902 1.7199 -2.8573 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 | |
| $$$$ | |