HMDB0061024 RDKit 3D mono-isopropyl-disopyramide 45 46 0 0 0 0 0 0 0 0999 V2000 3.6919 -1.4149 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 -1.0774 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 0.1245 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5085 -1.0248 -0.3735 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -0.0106 -1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 0.0142 -1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 0.2835 -0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 0.2311 -1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 -0.3604 -0.7235 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7297 0.8572 -2.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 1.5660 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0843 1.9140 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0153 3.1469 1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 4.1023 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0233 3.7832 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0893 2.5325 -0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 -0.8915 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 -2.0927 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6068 -3.2530 0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 -3.1689 1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 -1.9642 2.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8004 -0.8656 1.6029 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 -1.8976 -0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -0.5464 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -2.1737 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 -1.9499 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 0.3272 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 1.0398 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4559 -0.1066 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -1.9696 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7073 -0.2672 -2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 0.9715 -1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4064 0.7440 -2.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5015 -0.9774 -2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 -0.8690 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5897 1.2264 -2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6556 1.1454 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 3.3456 2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 5.0582 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 4.5220 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 2.3472 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 -2.1887 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 -4.2036 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 -4.0635 2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4669 -1.9453 3.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 8 10 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 7 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 16 11 1 0 22 17 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 9 35 1 0 10 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 M END