6a1c_ligand RDKit 3D 40 42 0 0 0 0 0 0 0 0999 V2000 4.5894 0.8019 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0267 1.9676 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7018 2.1290 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 1.1719 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 0.0783 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 -0.2596 -0.5693 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8810 -2.2766 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 1.2960 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 2.1586 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 3.6628 1.7554 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -1.5447 0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8142 0.7270 -0.0978 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 0.6820 -0.2808 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9042 0.9472 -0.0142 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9256 -0.0018 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 0.6140 0.2503 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8478 1.9605 0.3307 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8186 3.7158 -0.0556 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 4.7966 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7836 -1.4504 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 -2.1638 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5535 -3.5458 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 -4.2357 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7764 -3.5468 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8566 -2.1662 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7519 2.6701 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -0.6474 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 -0.2924 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9268 -3.2606 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8419 -1.7794 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6922 -2.4187 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 1.9220 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9811 4.5784 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 5.8367 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 4.6792 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -1.6647 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 -4.0828 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 -5.3099 -0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6174 -4.0806 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7699 -1.6448 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 6 1 1 0 1 12 2 0 3 2 2 0 4 3 1 0 3 10 1 0 4 5 2 0 8 4 1 0 5 6 1 0 6 11 1 0 11 7 1 0 13 8 2 0 14 9 1 0 9 17 2 0 9 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 18 19 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 2 26 1 0 5 27 1 0 6 28 1 6 7 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 19 33 1 0 19 34 1 0 19 35 1 0 21 36 1 0 22 37 1 0 23 38 1 0 24 39 1 0 25 40 1 0 M END > <_TriposChargeType> (1) GAST_HUCK $$$$