HMDB0015655 RDKit 3D Methyltestosterone 52 55 0 0 0 0 0 0 0 0999 V2000 3.8575 1.3489 0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4778 -0.0922 0.3748 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2751 -0.8701 1.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -0.5006 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3406 -0.6646 -1.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 0.0610 -0.7589 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0003 -0.1832 -0.8904 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5132 0.4562 -2.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9884 0.5543 -2.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7272 0.5985 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 1.1961 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7066 1.2916 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6268 2.1379 0.3752 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3703 0.3100 1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8831 0.3067 1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -0.0235 0.2140 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2399 -1.5335 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 0.4301 0.2793 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1033 0.1128 1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 0.4957 1.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 -0.3739 0.5830 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7786 -1.8145 0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.0644 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 1.5604 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9716 1.4928 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2089 -0.9278 0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3113 -1.4351 -1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2236 0.3383 -1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1302 -1.7653 -1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 -0.2959 -2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 1.1457 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2327 -1.2828 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 1.5087 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -0.0325 -3.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3169 1.3926 -2.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 -0.3718 -2.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 1.6652 -1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7924 0.6668 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7881 -0.6750 1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5809 1.2780 1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 -0.4889 2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1961 -1.8902 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -1.7963 -1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4177 -2.0401 0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 1.5304 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 -0.9314 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 0.7561 2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 0.3674 2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 1.5649 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7564 -2.3683 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5195 -1.9651 1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -2.3089 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 1 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 6 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 1 21 2 1 0 21 6 1 0 18 7 1 0 16 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 6 7 32 1 6 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 11 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 18 45 1 6 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 22 50 1 0 22 51 1 0 22 52 1 0 M END