HMDB0014969 RDKit 3D Trifluoperazine 52 55 0 0 0 0 0 0 0 0999 V2000 6.0789 0.4002 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7614 1.0417 -0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 0.9817 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 -0.3102 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 0.0260 0.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4211 -0.9871 1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 -0.8014 1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 -0.5618 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 -0.5124 -0.1723 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6018 -1.7579 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 -2.9316 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 -4.1476 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7169 -4.2306 0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4469 -3.0653 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9141 -1.8645 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9527 -0.4389 0.8320 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0714 0.8988 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7813 2.0472 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 3.1120 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 2.9674 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 4.0983 -1.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 3.7156 -3.1158 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 5.1809 -1.9471 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9902 4.5112 -1.1104 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1258 1.7873 -0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7509 0.6985 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 0.3772 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8352 0.3554 -1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7930 1.1306 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 -0.0525 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 -0.4464 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 1.8386 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3915 0.9017 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 -0.4582 2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1065 -1.1313 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7381 -1.9966 0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -1.1585 2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 -1.5043 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 0.2069 1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 0.4534 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2832 -1.3114 -1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8063 -2.8716 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 -5.0502 0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -5.1802 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4913 -3.1298 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8389 2.0939 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7096 4.0349 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 1.8103 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 -0.3219 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 1.4450 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 0.8301 -2.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 -0.7227 -1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 20 25 1 0 25 26 2 0 5 27 1 0 27 28 1 0 28 2 1 0 26 9 1 0 15 10 1 0 26 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 18 46 1 0 19 47 1 0 25 48 1 0 27 49 1 0 27 50 1 0 28 51 1 0 28 52 1 0 M END