HMDB0240313 RDKit 3D 4-Androsten-3beta,17beta-diol disulfate 59 62 0 0 0 0 0 0 0 0999 V2000 2.8314 0.1446 -1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5331 -0.5619 0.2624 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7011 -1.7566 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 -1.4083 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -0.2231 -0.0623 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6402 0.9159 0.3091 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1101 1.9924 1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 2.6084 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0259 1.4746 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2946 1.6263 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2554 0.5614 -0.2855 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5644 1.0011 -0.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5828 0.4065 0.7538 S 0 0 0 0 0 6 0 0 0 0 0 0 -7.7373 1.3205 1.0401 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8563 0.1484 2.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2153 -1.0529 0.2125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7925 -0.2693 -1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4365 -0.8490 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 0.2726 -0.9297 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9420 0.6697 -2.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 0.3106 1.1977 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6849 1.2399 1.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 0.2469 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 -0.7981 1.0762 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8571 -0.6149 0.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 -1.9633 0.0785 S 0 0 0 0 0 6 0 0 0 0 0 0 7.2169 -1.7390 0.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8769 -2.3168 -1.4008 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -3.2380 0.8664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0471 -0.0122 -1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7761 -0.3318 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 1.2089 -0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 -2.3269 0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2462 -2.4313 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 -1.3626 -1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -2.2979 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 -0.5364 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0562 1.3359 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5998 2.7663 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 1.5864 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 2.8553 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5978 3.4772 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6355 2.5579 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2556 -0.1151 0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1986 -1.0086 0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7223 0.2826 -2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4668 -1.1141 -1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5445 -1.3481 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 -1.5275 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 1.2176 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6965 1.2823 -2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 -0.2907 -2.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -0.3543 1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 1.8874 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 1.8204 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7478 0.7218 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -0.2246 3.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7291 -1.8210 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6662 -4.0456 0.7121 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 13 14 2 0 13 15 2 0 13 16 1 0 11 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 6 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 21 2 1 0 24 2 1 0 19 5 1 0 19 9 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 6 38 1 6 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 10 43 1 0 11 44 1 1 16 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 20 50 1 0 20 51 1 0 20 52 1 0 21 53 1 1 22 54 1 0 22 55 1 0 23 56 1 0 23 57 1 0 24 58 1 1 29 59 1 0 M END