HMDB0000493 RDKit 3D 5alpha-Androstane-3beta,17beta-diol 53 56 0 0 0 0 0 0 0 0999 V2000 -2.7557 -0.2502 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -0.5109 0.1813 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9821 -1.7741 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5277 -1.6655 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 -0.4821 -0.4808 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6254 0.7494 -0.0114 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0371 2.0290 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4304 2.0256 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1856 0.9293 -0.4681 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6398 0.8899 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 -0.0597 -0.9963 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6262 -0.3300 -0.4005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 -1.3561 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 -1.3043 -1.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5825 -0.4235 -0.2985 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0190 -1.0380 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9946 0.6197 -0.5611 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9097 1.7518 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2885 1.1131 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0705 -0.3868 -0.3765 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0613 -0.8764 0.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 -0.5999 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0219 -0.8076 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6906 0.8103 1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -2.0009 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -2.6086 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -2.6111 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 -1.5280 1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 -0.6076 -1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6245 0.7023 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2127 2.0184 -1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5752 2.8623 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 2.9652 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 1.8365 1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 1.1772 -1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 0.7445 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0477 1.9221 -0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 0.4638 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 -0.3853 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 -1.7534 -2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -2.1614 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -0.8819 -2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 -2.3262 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 -1.1710 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5879 -2.0653 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6231 -0.4638 1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 0.3221 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7275 2.4977 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 2.3118 0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 1.2635 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0247 1.5113 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 -0.9277 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7074 -0.1596 0.7251 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 1 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 20 21 1 0 17 2 1 0 20 2 1 0 15 5 1 0 15 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 6 6 30 1 1 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 6 10 36 1 0 10 37 1 0 11 38 1 6 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 16 44 1 0 16 45 1 0 16 46 1 0 17 47 1 6 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 6 21 53 1 0 M END