HMDB0259177 RDKit 3D trichostatin A 44 44 0 0 0 0 0 0 0 0999 V2000 3.7478 -1.7050 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 -0.6744 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 0.5347 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9222 0.6308 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 1.9301 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6904 2.7588 1.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9448 1.9890 0.7671 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2185 2.0590 0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6062 -0.6821 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7776 -1.8213 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -2.8098 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -1.2873 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 -1.3965 -2.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 -0.6114 -0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2655 0.1285 -1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4755 0.6848 -1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0354 0.5327 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 1.0655 0.1412 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4525 0.1741 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5736 2.4488 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 -0.1809 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0926 -0.7444 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -2.0894 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3544 -1.2758 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2206 -2.6132 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 1.3653 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -0.1459 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 3.2666 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5941 1.8079 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1118 0.1034 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4595 -2.3492 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 -2.3348 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 -3.6941 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -3.2804 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8653 0.2688 -2.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 1.2776 -2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4693 -0.4990 0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3996 0.7373 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3093 -0.4393 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4633 2.5425 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8011 2.9547 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7186 2.9731 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7642 -0.3144 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 -1.2853 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 2 9 2 3 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 17 21 1 0 21 22 2 0 22 14 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 4 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 11 34 1 0 15 35 1 0 16 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 M END