6e3o_ligand RDKit 3D 31 32 0 0 0 0 0 0 0 0999 V2000 3.7255 1.3520 2.5053 O 0 0 0 0 0 1 0 0 0 0 0 0 3.0691 0.3441 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9473 -0.6308 3.2409 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2961 0.0604 1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9968 0.1049 1.1087 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1347 -0.1751 -0.1535 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1920 -1.0971 0.0697 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 -0.6565 -1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7946 -1.1709 -2.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 -0.4907 -1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -0.1202 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 0.0274 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 -1.1282 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 -1.0613 0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9661 0.1611 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 1.3175 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8093 1.2716 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 2.5614 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 2.8757 -1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 -0.3291 4.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 0.7845 -0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4425 -1.4469 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2509 -0.6925 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4464 -2.0900 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -1.9620 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0511 0.2172 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 2.2653 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 3.3846 0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 2.5311 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3536 2.0901 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 2.9768 -2.3581 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 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 6 20 1 6 7 21 1 0 10 22 1 0 13 23 1 0 14 24 1 0 15 25 1 0 16 26 1 0 18 27 1 0 18 28 1 0 19 29 1 0 19 30 1 0 19 31 1 0 M CHG 1 1 -1 M END > <_TriposChargeType> (1) GAST_HUCK $$$$