6cjp_ligand RDKit 3D 61 64 0 0 0 0 0 0 0 0999 V2000 0.2301 0.9342 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 0.8442 -2.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3587 0.5014 -3.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4335 -0.8581 -1.8230 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9738 -2.1423 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3817 -1.8842 -1.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2899 -0.3826 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1668 1.0611 -2.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3263 -0.4969 3.7177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0262 -0.2538 3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 0.2960 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6922 0.8293 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6889 -0.0818 1.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8448 0.3600 0.3335 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9357 0.7022 1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6547 1.9426 0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 0.4748 1.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 -0.1719 -0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 -0.1114 -1.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 0.7945 -3.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4913 0.2109 -2.8909 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1931 -1.0405 -3.0225 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 -0.7745 -0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 -1.2016 -0.5706 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 -1.1637 0.5181 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1382 -1.5418 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -1.3099 -2.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 0.1035 -2.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0471 -0.0314 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -0.6064 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 0.1693 2.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 -0.3481 4.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 -0.6305 4.9623 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 -0.5752 4.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 1.8060 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2572 1.3092 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6767 1.7272 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6243 0.4929 -4.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5334 -1.4433 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 -3.0353 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -2.4653 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7332 -2.5916 -2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6216 1.9657 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7067 0.6335 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9082 1.3465 -2.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 -0.5421 2.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 1.2531 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6003 1.5080 2.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1657 -0.1554 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8544 1.0248 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -0.9512 -2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 0.9940 -4.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 1.0850 -2.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3356 -0.6119 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2479 -1.7387 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 -1.5833 -3.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 0.6887 0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -0.3136 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 0.3155 2.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 -1.0656 5.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 -0.9857 5.2750 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 1 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 $$$$