HMDB0304934 RDKit 3D 25 25 0 0 0 0 0 0 0 0999 V2000 -4.4872 0.3757 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4288 -0.3750 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 -0.7874 0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1382 -0.2948 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 0.9386 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 1.4200 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 0.6393 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7446 1.0817 -0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 0.7591 0.8179 S 0 0 0 0 0 6 0 0 0 0 0 0 4.9136 1.9596 0.8836 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4673 0.4078 2.1749 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 -0.5605 0.3102 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 -0.5987 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3856 -1.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -1.0435 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1468 0.6736 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 0.7242 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 -0.7049 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 -1.9147 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -0.4860 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 1.5169 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 2.3916 1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2824 -0.4280 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 -2.2808 -1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 -2.0281 -0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 7 13 1 0 13 14 1 0 13 15 2 0 15 4 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 12 23 1 0 14 24 1 0 15 25 1 0 M END