HMDB0240625 RDKit 3D 5alpha-Androstan-3beta,17alpha-diol disulfate 61 64 0 0 0 0 0 0 0 0999 V2000 -1.3153 -1.3955 -1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4224 -0.3927 0.0787 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1530 -0.9557 1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -1.3895 0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 -0.4027 0.1543 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3392 -1.1178 -0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8595 -0.5938 -0.0503 S 0 0 0 0 0 6 0 0 0 0 0 0 -7.0865 0.7670 -0.6435 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8609 -1.5371 -0.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9441 -0.5686 1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5339 0.3091 -0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 0.8114 -0.3598 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5419 1.6081 -1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1367 2.0071 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 0.7597 -0.6457 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0480 0.1012 0.5435 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7446 -0.9421 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 -0.9585 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.1785 -0.1441 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6164 -0.9608 -1.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 1.1291 -0.2207 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7687 1.9200 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 1.6109 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 0.2926 -0.0071 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5664 0.4010 1.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8931 -0.5451 1.6372 S 0 0 0 0 0 6 0 0 0 0 0 0 6.0130 -0.6870 3.1302 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8108 -1.9065 1.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3085 0.1774 1.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -0.8996 -2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 -2.0028 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -2.0910 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 -1.7843 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2143 -0.1348 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5657 -2.3875 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0885 -1.5427 1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8356 0.3307 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9892 0.3507 1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3645 -0.3253 -1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1005 1.2064 -1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 1.4013 0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5938 1.0774 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1152 2.5562 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 2.4363 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 2.7175 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6436 0.0526 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 0.9364 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -1.9473 0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 -0.8776 2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -2.0197 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 -0.6149 1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6007 -1.4752 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 -0.3240 -2.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 -1.7421 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0077 1.6016 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 3.0110 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 1.7174 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 1.5982 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 2.3746 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8242 -0.4266 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4665 -0.1354 0.1725 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 2 0 7 9 2 0 7 10 1 0 5 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 2 0 26 29 1 0 12 2 1 0 21 15 1 0 16 2 1 0 24 19 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 1 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 1 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 6 16 47 1 1 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 20 52 1 0 20 53 1 0 20 54 1 0 21 55 1 1 22 56 1 0 22 57 1 0 23 58 1 0 23 59 1 0 24 60 1 6 29 61 1 0 M END