HMDB0302415 RDKit 3D Galegine 29 27 0 0 0 0 0 0 0 0999 V2000 -3.1596 1.1476 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9277 0.3420 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9081 -1.0456 0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8814 0.9037 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 0.0929 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 0.6942 0.0074 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5175 -0.0271 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 -1.3877 -0.1256 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5882 0.6118 0.9441 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 1.6344 -1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 0.5000 -0.0322 S 0 0 0 0 0 6 0 0 0 0 0 0 0.1195 1.1069 1.3303 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 -0.4450 -0.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.3244 -0.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9789 1.8939 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 1.7171 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 0.4925 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6258 -1.7569 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8505 -1.3872 0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0794 -1.1817 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 1.9201 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 -0.9248 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5672 -0.0105 -1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -2.0815 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3746 -1.7185 -0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 0.5941 0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 1.1116 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2886 -1.3694 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 -1.1025 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 7 9 1 0 10 11 2 0 11 12 2 0 11 13 1 0 11 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 13 28 1 0 14 29 1 0 M END