HMDB0259201 RDKit 3D Trifluoperazine sulfoxide 53 56 0 0 0 0 0 0 0 0999 V2000 6.4388 -0.5096 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 -0.2999 -0.3266 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6447 0.9513 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 0.9482 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7456 -0.3755 0.5556 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 -0.4700 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 0.0583 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9652 -0.0827 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 0.4179 0.4507 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1937 1.8464 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 2.6598 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4119 4.0577 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 4.6197 0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2706 3.8211 -0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 2.4763 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 1.5537 -1.3426 S 0 0 0 0 0 4 0 0 0 0 0 0 -4.1299 1.7706 -2.8446 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0794 -0.1504 -0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9728 -1.0331 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8166 -2.3807 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7542 -2.7802 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5827 -4.2519 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 -4.5621 -0.6406 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5427 -4.9615 -0.9127 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6691 -4.5179 1.1490 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8718 -1.8648 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 -0.4906 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 -1.2506 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -1.4649 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3319 -0.2820 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 -1.5758 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2529 0.0810 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 1.5234 -1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 1.5732 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 1.5006 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 1.4646 1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 0.0844 2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2649 -1.5180 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5445 1.0455 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 -0.6413 -0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0178 -1.1258 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 0.5402 2.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 2.2641 1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 4.6564 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 5.6855 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0539 4.2910 -1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8155 -0.7070 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5264 -3.0653 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0822 -2.2839 0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 -0.8737 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5287 -2.2285 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7495 -1.8129 -1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7282 -2.3303 0.1036 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 2 0 16 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 1 0 22 25 1 0 21 26 1 0 26 27 2 0 5 28 1 0 28 29 1 0 29 2 1 0 27 9 1 0 15 10 1 0 27 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 19 47 1 0 20 48 1 0 26 49 1 0 28 50 1 0 28 51 1 0 29 52 1 0 29 53 1 0 M END