HMDB0001487 RDKit 3D NADH 73 77 0 0 0 0 0 0 0 0999 V2000 10.3397 1.2977 -1.0927 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4943 -0.0219 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6284 -0.5421 -0.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3274 -0.7442 -0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1164 -0.2110 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 -0.8874 0.3283 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 -0.2399 0.3103 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6390 -1.0838 0.6493 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -0.4046 0.2821 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3988 -1.4329 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 -0.7156 -0.3697 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 -1.7767 -0.7130 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3028 -2.6433 -1.9081 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2755 -2.7769 0.6197 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -0.8831 -0.9942 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8013 -0.0318 0.4149 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9958 -1.0212 1.5352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 0.9937 0.8689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2239 0.8086 0.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0867 1.7763 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 2.5157 -1.0087 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3548 1.5866 -1.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3916 1.6137 -0.4583 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0070 0.3101 -0.3041 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3514 -0.8563 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2528 -1.8305 -0.1855 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4674 -1.3108 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7065 -1.8410 0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8444 -3.2456 0.3206 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7856 -1.0569 0.4092 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6215 0.2852 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4025 0.8276 0.0994 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3081 0.0651 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7985 2.1094 0.8400 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7807 2.8112 1.5437 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7622 3.1036 0.3246 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4183 4.3075 0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 0.3701 -0.9572 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5676 1.7177 -0.7035 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 0.1604 -1.1197 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9349 1.3316 -1.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1312 -2.2148 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 -2.7905 0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5150 -2.1186 0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8383 2.0799 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7208 1.4866 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0224 0.8091 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 0.6620 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1644 0.2184 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1804 -2.0492 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -2.1074 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0983 -2.3356 1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 1.3901 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 2.4605 -0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 1.1987 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2855 3.2854 -1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1776 2.3457 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2769 -0.9878 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9221 -3.7464 1.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8679 -3.7935 -0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5015 0.8973 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3249 1.3218 1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9507 2.4346 2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9119 3.1827 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 4.4017 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 0.0097 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 2.2860 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4699 -0.6800 -1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1254 1.2977 -2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2372 -2.7509 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4057 -3.8222 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 -2.7566 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2127 -2.0486 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 23 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 9 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 6 42 1 0 42 43 2 0 43 44 1 0 44 4 1 0 40 7 1 0 36 21 1 0 33 24 1 0 33 27 1 0 1 45 1 0 1 46 1 0 5 47 1 0 7 48 1 1 9 49 1 1 10 50 1 0 10 51 1 0 14 52 1 0 18 53 1 0 20 54 1 0 20 55 1 0 21 56 1 6 23 57 1 6 25 58 1 0 29 59 1 0 29 60 1 0 31 61 1 0 34 62 1 1 35 63 1 0 36 64 1 1 37 65 1 0 38 66 1 6 39 67 1 0 40 68 1 6 41 69 1 0 42 70 1 0 43 71 1 0 44 72 1 0 44 73 1 0 M END