HMDB0014742 RDKit 3D Cisapride 61 63 0 0 0 0 0 0 0 0999 V2000 -5.6573 1.5891 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8356 0.8186 -0.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2927 -0.0330 0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 -0.1819 1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1783 -1.0155 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5627 -1.1967 2.3369 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2847 -1.7402 2.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8819 -2.8360 4.1137 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 -1.6009 2.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 -0.7464 1.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 -0.6460 1.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 -1.3941 2.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 0.1808 0.6535 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 0.1392 0.6705 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2297 1.4907 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 2.0588 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 1.1646 -0.3706 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 1.6982 -1.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9352 1.2790 -1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1505 -0.1682 -1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5242 -0.4959 -1.9378 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4431 -0.3850 -0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1553 -0.0002 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1653 0.1013 1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4656 -0.1784 0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4828 -0.0952 1.8856 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7754 -0.5743 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7675 -0.6643 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -0.1226 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 -0.1836 -0.7075 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8222 0.7022 -1.5958 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6303 0.1195 -2.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0706 1.9438 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5466 1.0319 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9745 2.5476 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3305 0.3884 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0060 -0.9107 3.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1525 -1.6257 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2322 -2.1625 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7102 0.8135 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 -0.6101 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0475 2.1811 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 1.3793 1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1516 2.5501 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 2.9215 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 2.8390 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 1.4428 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 1.7826 -2.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 1.7280 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -0.7314 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 -0.5395 -2.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 0.2071 0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 0.4070 2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 -0.7907 -0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0243 -0.9733 -2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6338 -0.8280 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 -0.4474 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -1.2466 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0144 0.9460 -3.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 -0.4301 -2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.5451 -3.2086 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 1 0 5 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 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 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 17 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 10 3 1 0 30 14 1 0 28 22 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 6 37 1 0 6 38 1 0 9 39 1 0 13 40 1 0 14 41 1 1 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 23 52 1 0 24 53 1 0 27 54 1 0 28 55 1 0 29 56 1 0 29 57 1 0 30 58 1 6 32 59 1 0 32 60 1 0 32 61 1 0 M END