HMDB0000550 RDKit 3D 5-Androstenetriol 52 55 0 0 0 0 0 0 0 0999 V2000 2.4965 -0.3210 1.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 0.4577 0.4187 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6229 1.6457 0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 1.6964 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 0.4078 -0.4467 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5740 -0.8126 -0.2360 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0978 -1.9335 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -2.0672 -0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -1.1027 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 -1.3818 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5249 -0.3449 0.3962 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4558 -0.3471 1.4597 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9805 1.0561 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 1.1568 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 0.2749 0.2544 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5952 0.7688 1.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8772 -0.3804 -0.7229 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9389 -1.3575 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -0.3980 -1.1441 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9583 0.2011 -2.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8567 0.6667 -0.0895 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7720 0.4157 0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.0498 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -1.3944 1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 -0.0686 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 1.8080 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 2.5556 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 2.2440 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 2.3861 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 0.3622 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 -1.0388 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 -1.7300 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4932 -2.8671 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 -3.0717 -0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4494 -1.6186 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8793 -2.3494 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1333 -0.6087 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8641 0.5473 1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 1.5561 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 1.6527 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8145 0.7257 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 2.2037 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6882 0.4994 2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8421 1.8587 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4519 0.2666 2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.3226 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2028 -2.0261 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 -1.9755 -1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0836 -0.8978 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8254 1.1922 -2.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 1.6831 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 -0.5680 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 6 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 17 2 1 0 21 2 1 0 15 5 1 0 15 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 6 6 31 1 1 7 32 1 0 7 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 11 37 1 6 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 16 45 1 0 17 46 1 6 18 47 1 0 18 48 1 0 19 49 1 6 20 50 1 0 21 51 1 6 22 52 1 0 M END