HMDB0060903 RDKit 3D Reduced haloperidol 51 53 0 0 0 0 0 0 0 0999 V2000 4.2614 -2.0244 -0.6115 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -0.6764 -0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -0.3762 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6055 -1.0797 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 -0.7853 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 -1.3690 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -0.7223 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 -0.1175 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6209 -0.7267 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2905 -1.5777 -1.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5968 0.3677 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8426 0.9615 1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7667 1.9825 1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4848 2.4533 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6573 3.7654 0.2268 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.2454 1.8541 -1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3216 0.8367 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -1.5211 0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 -1.4008 1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 0.0749 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3614 1.3147 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4869 2.0274 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3974 1.5114 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5044 2.2300 0.7983 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1936 0.2735 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0437 -0.4459 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 -2.1460 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 -0.3725 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 0.7000 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0172 -0.7974 1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 -0.6572 -1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8698 -2.1632 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2818 0.3128 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5591 -1.2851 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 0.1370 -1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 -1.4041 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 0.9919 -0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -0.0804 -2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8075 -2.2103 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3247 0.6546 1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9352 2.4352 2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8256 2.2410 -2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1782 0.4082 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 -2.6202 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8801 -1.3004 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 -0.5214 1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6064 -2.2926 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 1.6744 -1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 2.9940 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9169 -0.1064 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8762 -1.4219 1.2707 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 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 9 18 1 0 18 19 1 0 2 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 19 6 1 0 26 20 1 0 17 11 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 10 39 1 0 12 40 1 0 13 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 22 49 1 0 25 50 1 0 26 51 1 0 M END