HMDB0303012 RDKit 3D Androsterol 50 53 0 0 0 0 0 0 0 0999 V2000 -2.6450 -0.0911 -1.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 0.7140 -0.6737 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7493 1.2823 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 0.0238 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 -0.9697 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 -0.1316 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 -0.8341 0.5019 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2044 -0.7826 1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 0.1731 1.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8059 0.2532 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 1.1792 0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 0.7014 0.2481 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0536 0.1373 1.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 -0.3298 -0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4767 -0.3323 -1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 -0.6629 -0.1904 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7527 -2.1149 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0818 -0.4043 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.9837 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3178 1.6961 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -1.1578 -1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 0.4036 -2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 -0.0402 -2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5631 1.9228 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2888 1.7967 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0641 0.2860 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1396 -0.3703 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3477 -1.8024 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6054 -1.3681 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 0.5792 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 -1.9285 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 -0.4242 2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 -1.7958 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 0.8287 2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 2.2025 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 1.3198 2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 1.5740 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0245 0.7189 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 -0.1249 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1841 -1.3643 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 0.6413 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 -1.1120 -2.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -2.2162 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 -2.7018 0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 -2.6299 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -1.0873 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7905 1.6512 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 1.0459 -2.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 2.5196 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 2.1429 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 18 19 1 0 19 20 1 0 6 2 1 0 18 7 1 0 20 2 1 0 16 10 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 6 8 32 1 0 8 33 1 0 9 34 1 0 11 35 1 0 11 36 1 0 12 37 1 6 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 M END