HMDB0001409 RDKit 3D dUMP 33 34 0 0 0 0 0 0 0 0999 V2000 -5.8531 -0.1741 -1.8658 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7154 0.0248 -1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5426 0.9915 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 1.2303 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 0.5284 -0.3328 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 0.8390 0.2655 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9177 0.2753 1.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 -0.5240 1.6712 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0197 -0.4703 2.8822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 0.2127 0.5743 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3531 -0.5349 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 0.1119 -0.9858 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 -0.6331 -1.5907 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9835 -1.9654 -2.2078 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 0.4070 -2.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 -0.8215 -0.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 0.2674 -0.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -0.4042 -1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -1.0562 -1.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -0.6594 -1.8007 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 1.5581 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 2.0056 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 1.9489 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 1.1505 2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -0.3503 1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1331 -1.5525 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4343 -1.3643 3.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 1.2203 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 -0.4669 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 -1.5827 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 1.1068 -2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4911 0.0706 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7582 -1.3893 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 13 16 1 0 10 17 1 0 5 18 1 0 18 19 2 0 18 20 1 0 20 2 1 0 17 6 1 0 3 21 1 0 4 22 1 0 6 23 1 1 7 24 1 0 7 25 1 0 8 26 1 6 9 27 1 0 10 28 1 1 11 29 1 0 11 30 1 0 15 31 1 0 16 32 1 0 20 33 1 0 M END