HMDB0250942 RDKit 3D Dehydroaripiprazole 55 58 0 0 0 0 0 0 0 0999 V2000 -7.7100 0.0588 -3.0668 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1597 0.4191 -1.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6056 1.5988 -1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0201 2.0222 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0229 1.2783 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4111 1.6666 1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 0.9432 2.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9884 -0.2650 1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -0.9682 2.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 -2.1256 1.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -1.9228 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5331 -0.8412 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2892 -0.6260 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3226 0.3751 -0.1563 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 0.4907 -1.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2752 -0.3316 -1.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 0.1329 -0.4307 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5462 0.2213 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 -0.5199 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7763 -0.4541 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 0.3455 -1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 1.0904 -1.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1695 2.1026 -3.0907 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 1.0177 -1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 1.9722 -2.6502 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 0.4918 0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 0.0181 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6036 -0.6356 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6174 0.1097 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1876 -0.2851 -1.3866 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3918 2.1728 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3436 2.9423 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7758 2.6063 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 1.2538 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 -2.9790 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7098 -2.5076 2.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1559 -1.6372 -0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9965 -2.8849 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 -1.2548 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 0.0759 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 -1.5654 -0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4087 -0.2172 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3945 0.2292 -2.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 1.5558 -1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -0.1927 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1074 -1.4099 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 -1.1612 0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4311 -1.0466 0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4084 0.3996 -1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -0.0263 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 1.5714 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0773 -1.0774 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 0.5116 1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3471 -1.5651 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -1.1729 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 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 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 17 26 1 0 26 27 1 0 8 28 1 0 28 29 2 0 29 30 1 0 30 2 1 0 29 5 1 0 27 14 1 0 24 18 1 0 3 31 1 0 4 32 1 0 6 33 1 0 7 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 26 50 1 0 26 51 1 0 27 52 1 0 27 53 1 0 28 54 1 0 30 55 1 0 M END