HMDB0015146 RDKit 3D Metyrapone 31 32 0 0 0 0 0 0 0 0999 V2000 -0.4886 -1.9706 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5475 -0.4633 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 0.2153 -1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 0.0651 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1813 0.5738 1.5472 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9531 0.0648 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8267 0.5894 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 0.6477 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 0.1493 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 -0.3556 -1.2481 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 -0.4140 -1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 -0.1009 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0706 1.1804 0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2968 1.5115 1.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2408 0.5199 1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 -0.7242 0.8574 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8285 -1.0342 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 -2.3465 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 -2.3109 -1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 -2.4210 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 0.9709 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 0.7544 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3857 -0.5750 -2.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 0.9817 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 1.0565 1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 0.1625 -0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 -0.8339 -1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.9437 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5082 2.5010 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1888 0.7806 1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 -2.0774 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 2 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 11 6 1 0 17 12 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 11 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 17 31 1 0 M END