HMDB0254680 RDKit 3D Metopimazine 57 60 0 0 0 0 0 0 0 0999 V2000 -2.7478 4.2417 1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 3.5741 -0.2282 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.7162 4.4794 -1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8321 3.3747 -0.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 2.0073 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3471 1.8833 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8993 0.6268 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1828 -0.4504 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9216 -0.3948 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3867 0.8972 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -1.5224 0.4005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 -1.2670 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 -1.0401 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 -0.7774 0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.5429 -0.2042 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -0.3054 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9844 1.1662 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 1.8752 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 1.7305 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6159 2.8064 -0.6321 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4553 0.4740 -0.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 1.1668 -1.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3671 0.6321 -1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6199 -2.8710 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 -3.9064 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -5.2323 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 -5.5331 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -4.5220 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8415 -3.2297 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9897 -2.0320 -0.7682 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 5.1745 1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 3.5078 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8485 4.3589 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 2.7792 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8973 0.5261 -1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 1.0651 0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.2994 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 -2.0490 1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.1823 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 -1.9138 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3554 0.1572 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -1.5869 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6656 -0.7695 0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6491 -0.7829 1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0546 1.5825 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 1.2805 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1266 2.9371 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2362 3.7527 -0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1861 0.1327 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 0.3512 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 1.9324 -2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9331 1.4463 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 0.4306 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8014 -3.7159 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5693 -6.0346 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7325 -6.5856 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -4.8039 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 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 3 19 21 1 0 18 22 1 0 22 23 1 0 11 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 10 5 1 0 23 15 1 0 29 24 1 0 30 8 1 0 1 31 1 0 1 32 1 0 1 33 1 0 6 34 1 0 7 35 1 0 10 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 25 54 1 0 26 55 1 0 27 56 1 0 28 57 1 0 M END