HMDB0015442 RDKit 3D Butethal 31 31 0 0 0 0 0 0 0 0999 V2000 2.9538 0.4798 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 1.5297 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 1.3855 1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3841 0.1115 1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 -0.2885 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 -1.6304 0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -2.7463 0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 0.6616 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2638 0.8881 1.6591 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5289 1.3048 -0.5799 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1234 1.0669 -1.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 1.6603 -2.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 0.1815 -2.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 -0.4695 -1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 -1.2552 -1.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 1.0180 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 -0.2229 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -0.0103 -1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 1.4036 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 2.5523 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8733 1.4930 1.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 2.2872 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0657 0.1013 2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 -0.7363 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 -1.4895 1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 -1.9174 0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 -2.6289 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0721 -3.0907 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 -3.6266 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 1.9787 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 0.0085 -3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 10 30 1 0 13 31 1 0 M END