HMDB0036773 RDKit 3D Tavulin 39 40 0 0 0 0 0 0 0 0999 V2000 4.0201 -1.0779 0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1714 -0.0999 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 1.1728 1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 1.5219 1.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 1.9726 0.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 1.0200 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 1.6845 -0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 1.7803 -0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 2.4901 -1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 1.2447 0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7481 2.1982 1.0572 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5718 -0.0199 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6517 -0.9313 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7598 -1.6692 0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 -2.2701 1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 -1.8130 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3736 -1.3007 -0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7285 -1.2261 -2.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 0.0194 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9507 -1.9992 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8257 -1.0476 1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 0.5642 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6195 2.1144 -1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4467 3.3895 -1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 2.8452 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 1.7820 -2.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 1.0246 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7094 2.3531 2.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4613 0.2564 -0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8157 -0.5244 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 -1.6358 -1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1571 -0.2993 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -3.1732 1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 -2.6093 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5584 -1.5867 2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 -2.3884 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -2.0679 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7293 -2.1258 -2.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 0.4317 -1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 2 1 0 19 6 1 0 1 20 1 0 1 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 M END