HMDB0015232 RDKit 3D Pimozide 63 67 0 0 0 0 0 0 0 0999 V2000 3.5549 -0.1025 2.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -0.3229 1.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8073 -0.2096 1.9767 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6329 -0.5105 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0055 -0.5579 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5599 -0.9076 -0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -1.2102 -1.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3897 -1.1525 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8012 -0.8049 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5026 -0.6915 0.2602 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -0.9193 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 0.3786 -1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 1.1035 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8751 0.3396 0.3381 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 0.9210 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3566 0.0284 1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7259 0.6439 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4029 0.9803 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6328 -0.1943 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8344 -1.4742 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0459 -2.5401 -1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 -2.3312 -2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 -3.3863 -3.3425 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8548 -1.0479 -2.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 0.0195 -2.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7274 1.5813 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1528 2.7188 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3909 3.2408 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2315 2.7026 0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4639 3.2382 1.2659 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8136 1.5882 1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5727 1.0460 1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -1.0565 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 -1.6942 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 0.0568 2.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6041 -0.3207 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 -0.9450 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 -1.4882 -2.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7756 -1.3937 -2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -1.5317 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 0.2419 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 1.0293 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.7628 0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 1.8338 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 1.3126 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 1.8463 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -0.1683 2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 -0.9498 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3145 -0.0625 2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5676 1.5622 2.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 1.7697 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8225 -1.6198 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1954 -3.5075 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8645 -0.8835 -4.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4839 1.0324 -2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4773 3.1196 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7359 4.1236 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4506 1.1459 2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2784 0.1630 1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -1.4232 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2523 -1.4560 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -2.7185 -0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 -1.9482 1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 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 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 18 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 14 33 1 0 33 34 1 0 10 2 1 0 34 11 1 0 9 4 1 0 25 19 1 0 32 26 1 0 3 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 20 52 1 0 21 53 1 0 24 54 1 0 25 55 1 0 27 56 1 0 28 57 1 0 31 58 1 0 32 59 1 0 33 60 1 0 33 61 1 0 34 62 1 0 34 63 1 0 M END