HMDB0014817 RDKit 3D Thioridazine 51 54 0 0 0 0 0 0 0 0999 V2000 3.5330 -4.6185 -0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 -3.4902 -1.0591 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6324 -1.8540 -0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 -1.6023 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 -0.3067 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 0.7071 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 0.5036 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 -0.8028 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 1.5258 -0.3029 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 1.1496 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 0.4701 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 0.0464 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5366 -0.9131 -1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 -2.3306 -0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -2.7645 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8398 -1.8064 1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 -0.4573 1.0806 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5449 -0.2249 1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3158 2.8678 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2804 3.7850 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4563 5.1316 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6784 5.5948 0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 4.6910 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5153 3.3946 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9116 2.3127 0.6109 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9742 -4.6119 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1672 -5.6711 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 -4.4419 -1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 -2.3951 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 -0.1501 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.0513 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 2.0158 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2201 0.4017 -1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2106 1.2412 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 -0.3530 0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9972 0.9781 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 -0.9475 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 -0.5947 -2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4318 -2.9627 -1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.4676 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 -3.7707 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1512 -2.6683 -0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7897 -1.9910 1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -2.1074 2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0029 -1.0084 1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7841 0.7973 1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0345 -0.3334 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 3.5567 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 5.8431 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 6.6271 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6602 5.0563 1.1543 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 5 6 2 0 6 7 1 0 7 8 2 0 7 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 9 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 8 3 1 0 17 12 1 0 24 19 1 0 25 6 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 8 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 18 45 1 0 18 46 1 0 18 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 M END