HMDB0061023 RDKit 3D N-Desmethyldiltiazem 52 54 0 0 0 0 0 0 0 0999 V2000 -5.9184 -0.8637 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -0.7957 0.1914 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5737 0.6116 0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4219 0.7806 1.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1892 0.2663 0.9908 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 1.1386 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8695 2.1967 -0.1067 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 1.0380 -0.1140 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6826 2.2956 -0.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 2.8639 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 4.2101 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 2.2111 1.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 0.0992 -1.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 0.0771 -1.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 -0.4343 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 -0.4996 -0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6596 -0.0443 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 -0.0960 -1.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -0.6222 -0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 0.4641 -2.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4799 0.5260 -2.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 -1.5814 -1.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 -1.9530 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 -3.2551 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 -3.7118 1.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3293 -2.8964 2.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5031 -1.5806 2.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -1.1260 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6952 -1.5024 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7713 -1.3529 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2699 0.1491 -1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -1.2198 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3558 1.0915 -0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4969 1.0999 0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6706 0.7319 2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2574 1.9340 1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 0.6531 0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 4.3050 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 4.9675 0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 4.3639 -1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.4958 -2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -0.7994 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6426 -0.9098 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6575 0.0315 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 -0.6479 -1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -1.6511 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 0.8292 -3.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 0.9322 -3.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 -3.9061 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -4.7431 2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -3.2233 3.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1247 -0.9473 2.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 8 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 2 0 13 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 5 1 0 21 14 1 0 28 23 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 8 37 1 1 11 38 1 0 11 39 1 0 11 40 1 0 13 41 1 0 15 42 1 0 16 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 M END