6e4c_ligand RDKit 3D 34 36 0 0 0 0 0 0 0 0999 V2000 -3.7026 2.5181 -1.7582 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.2427 1.9677 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 2.2220 -0.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5008 0.8292 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2019 0.7650 -0.1668 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3764 -0.1546 0.6658 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0428 0.4728 1.7558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5951 -1.3575 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 -2.3591 1.6481 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1281 -1.3200 1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.2828 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 -0.2806 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -0.2348 -0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 -0.1864 -2.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9992 -0.1841 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7053 -0.2946 1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -0.2629 1.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -0.1957 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 -0.1358 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9977 -0.4285 1.1788 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 -0.2074 0.6966 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 0.2317 -0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1148 0.5525 -1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 0.2545 -0.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1317 -0.5268 -0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5029 1.2413 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5863 -2.1536 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 -0.9072 -2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -0.4498 -3.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 0.8215 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -0.1452 -1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 -0.3061 2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 -0.2672 2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5432 0.5963 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 4 6 1 0 5 11 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 16 1 0 13 14 1 0 13 15 1 0 15 18 2 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 6 25 1 6 7 26 1 0 10 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 24 34 1 0 M CHG 1 1 -1 M END > <_TriposChargeType> (1) GAST_HUCK $$$$