6e3o_ligand RDKit 3D 31 32 0 0 0 0 0 0 0 0999 V2000 3.0998 2.5243 -0.9729 O 0 0 0 0 0 1 0 0 0 0 0 0 3.5285 1.5342 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 1.3196 0.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 0.4172 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2821 0.6788 0.1368 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 -0.9411 0.2210 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0761 -0.9439 1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 -2.0381 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4324 -3.2408 0.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 -1.6414 0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4254 -0.3488 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0028 -0.0022 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 0.0093 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8642 0.3028 2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 0.5903 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 0.5926 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 0.3066 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3746 0.3247 -1.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 -1.0369 -2.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7699 -1.1697 -0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6848 -0.1850 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0409 -2.4278 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 -0.1994 2.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 0.3142 3.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7534 0.8240 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 0.8291 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9572 1.0627 -2.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3381 0.6704 -1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 -0.9849 -3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 -1.3740 -2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9159 -1.7977 -2.0654 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 $$$$