HMDB0002873 RDKit 3D Deacetyldiltiazem 50 52 0 0 0 0 0 0 0 0999 V2000 7.9816 1.0870 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 1.8700 -0.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 1.4457 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3207 0.2928 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 -0.0797 0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 0.6528 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 0.2017 0.0270 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2378 -0.7744 -1.4893 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0984 -1.8234 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 -3.0920 -1.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 -4.1024 -1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 -3.8066 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 -2.4995 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 -1.5094 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 -0.2796 0.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0188 -0.1183 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8505 0.4146 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2035 0.5486 -0.0954 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6095 1.5173 0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1681 -0.2565 -0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 0.8130 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 1.6095 1.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 1.2436 0.0941 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3666 1.8635 -1.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 1.8013 -0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7205 2.1933 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 0.9717 1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 0.0582 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9965 1.5219 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0837 -0.2840 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 -0.9891 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 -0.5224 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9689 -3.3300 -2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 -5.1204 -1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 -4.5632 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9789 -2.3046 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4652 -0.7708 1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 0.8265 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 -0.1501 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 1.4241 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7789 1.6969 1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 2.4972 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4978 1.1353 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0433 -0.3400 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1867 0.1427 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1419 -1.2752 -0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 2.0625 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 2.5713 -1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 2.4123 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 3.1165 -1.1913 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 15 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 6 25 1 0 25 26 2 0 26 3 1 0 23 7 1 0 14 9 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 7 32 1 1 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 19 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 20 46 1 0 23 47 1 1 24 48 1 0 25 49 1 0 26 50 1 0 M END