HMDB0015555 RDKit 3D Molindone 44 46 0 0 0 0 0 0 0 0999 V2000 3.9980 -1.5926 1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -1.5626 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 -0.2640 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 0.9218 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3223 1.1728 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 1.8560 -0.8662 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 1.3282 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.0144 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 -0.8252 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 -2.0737 -0.5231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7332 -0.2480 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.8328 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9091 -0.5078 0.5182 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3954 0.7206 0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7121 1.0325 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6172 0.1062 0.6942 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -1.1499 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 -1.4146 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 1.2418 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4388 1.8693 -1.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8948 -2.2200 1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2311 -0.5937 2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -2.0634 2.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6761 -1.7848 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 -2.4035 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 0.2294 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 1.4807 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 1.9478 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 2.8614 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0652 -0.4948 -1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4553 -1.9610 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 -0.6026 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7898 1.6082 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 0.5993 2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 0.9191 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0478 2.0565 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6393 -1.8457 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9631 -1.4187 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6028 -2.4282 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7815 -1.5394 -1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 1.6666 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4927 1.5781 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 2.9639 -1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 1.6520 -2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 11 19 1 0 19 20 1 0 8 3 1 0 18 13 1 0 20 7 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 5 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 M END