HMDB0015128 RDKit 3D Azathioprine 26 28 0 0 0 0 0 0 0 0999 V2000 -2.0367 0.1164 -2.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4925 0.1835 -1.0518 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 0.7263 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7018 0.5956 0.7441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 -0.0399 1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 -0.3696 2.5373 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6165 -1.3874 2.8407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 0.4514 3.5582 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8559 -0.2846 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -1.1080 0.0152 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 0.0616 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 1.3761 0.2985 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 2.1842 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1978 1.6803 0.4117 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 0.3660 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -0.3817 0.2603 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 -1.6618 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 -1.7089 0.0689 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 -0.4642 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9754 -0.9366 -2.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0332 0.5871 -2.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 0.6264 -3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 1.1969 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7369 3.2437 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -2.4867 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -2.5660 -0.0365 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 1 0 6 7 2 0 6 8 1 0 5 9 2 0 9 10 1 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 2 0 17 18 1 0 18 19 1 0 9 2 1 0 19 11 1 0 19 15 2 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 13 24 1 0 17 25 1 0 18 26 1 0 M CHG 2 6 1 8 -1 M END