HMDB0032886 RDKit 3D Orange I 35 37 0 0 0 0 0 0 0 0999 V2000 3.1185 3.2507 -1.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 1.9602 -1.1702 S 0 0 0 0 0 6 0 0 0 0 0 0 4.0394 1.6563 -2.6315 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3898 2.0997 -0.4952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9296 0.6874 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1469 0.9590 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 -0.0677 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4754 -1.3596 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 -2.4228 1.4295 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4347 -2.6129 1.1454 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -1.7945 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 -1.9679 -1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 -1.1593 -1.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -0.1070 -1.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 0.6665 -2.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6392 0.0770 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4147 1.1139 0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 1.3064 1.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.4962 2.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 -0.5200 2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 -0.7576 0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 -1.6128 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 -0.5865 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 1.2158 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 1.9805 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8331 0.2046 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 -2.7841 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7745 -1.3084 -3.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 1.4379 -2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9814 1.7771 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0533 2.1052 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7969 0.6437 3.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -1.1850 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -2.5890 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6178 -0.8030 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 8 22 1 0 22 23 2 0 23 5 1 0 21 11 1 0 21 16 1 0 4 24 1 0 6 25 1 0 7 26 1 0 12 27 1 0 13 28 1 0 15 29 1 0 17 30 1 0 18 31 1 0 19 32 1 0 20 33 1 0 22 34 1 0 23 35 1 0 M END