HMDB0014487 RDKit 3D Diltiazem 55 57 0 0 0 0 0 0 0 0999 V2000 -6.4793 2.6820 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 2.9584 -0.2965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2101 1.9168 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 0.6492 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7795 -0.3742 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -0.1738 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5057 -1.2870 0.9622 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5937 -0.8474 2.4188 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1585 -1.0666 2.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -1.3998 3.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -1.5850 3.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8687 -1.4411 2.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3559 -1.1098 1.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9813 -0.9221 1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 -0.5829 -0.1099 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 0.0764 -0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 1.5877 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 2.0789 -1.7172 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 3.5083 -1.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9274 1.5257 -1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3615 -0.8880 -0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 -0.2674 -1.7211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 -1.7837 -0.1924 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5493 -2.2220 -1.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -3.5195 -1.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5552 -3.9396 -2.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9541 -4.3941 -1.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9622 1.0878 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 2.1276 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7552 1.9173 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7289 2.2711 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0692 3.6084 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7353 0.5097 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1946 -1.3642 0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -2.1661 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 -1.5083 4.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -1.8536 4.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 -1.5883 2.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9745 -0.9953 0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 -0.0496 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 -0.3726 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 1.9615 0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 2.0063 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 4.0127 -2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 3.9041 -0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7642 3.8048 -2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9985 1.1536 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 0.6528 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 2.2357 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1841 -2.7184 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2619 -3.1411 -3.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9806 -4.2215 -3.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1659 -4.8021 -2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 1.2365 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4203 3.1121 -0.2276 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 24 25 1 0 25 26 1 0 25 27 2 0 6 28 1 0 28 29 2 0 29 3 1 0 23 7 1 0 14 9 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 5 34 1 0 7 35 1 1 10 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 23 50 1 1 26 51 1 0 26 52 1 0 26 53 1 0 28 54 1 0 29 55 1 0 M END