HMDB0010359 RDKit 3D 17-Hydroxyandrostane-3-glucuronide 73 77 0 0 0 0 0 0 0 0999 V2000 -5.4942 1.1566 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8699 0.3052 0.5680 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0938 1.0546 1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 1.7194 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0214 0.7199 0.2408 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8799 -0.0020 -0.7913 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0882 -0.9318 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8964 -0.1995 -2.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 0.3074 -1.1553 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2943 0.7694 -1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 0.7465 -0.2489 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8462 -0.4472 -0.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2239 -0.2634 -0.0742 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7882 -0.9445 -1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1287 -1.2329 -0.9635 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9816 -0.0266 -0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2187 -0.2009 -0.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 1.2629 -1.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 -2.0895 0.2149 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4283 -1.4838 0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1484 -2.2370 1.0230 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3834 -2.9040 2.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 -0.8002 1.2661 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7994 -0.0947 1.6938 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2531 0.8736 0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0988 1.8348 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 1.3717 -0.3520 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2168 2.5338 -1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9223 -0.7415 -0.0360 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8558 -1.5676 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1191 -1.5983 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9315 -0.6041 1.1279 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1327 0.0648 1.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3311 0.7857 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 2.2215 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6169 1.1734 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6768 1.8131 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7137 0.3378 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2569 2.4338 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 2.3258 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 -0.0130 1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 0.7928 -1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 -1.3556 -2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6426 -1.7188 -0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3231 -0.9581 -2.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 0.5850 -2.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -0.5491 -0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 1.7819 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7055 0.0762 -2.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 1.6402 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4146 0.8280 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4372 -1.8039 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 1.9440 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7659 -3.1077 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2734 -1.9776 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 -2.7302 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 -3.8762 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 -0.7343 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -0.4460 2.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -0.0894 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8736 1.3613 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 2.0368 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 2.7888 0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9867 2.2682 -1.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 2.9308 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 3.3425 -0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4666 -1.2861 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0049 -1.2073 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4149 -2.6029 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2507 -2.6333 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9540 -1.3120 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5846 -1.1162 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8594 -0.3011 0.7428 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 1 0 10 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 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 1 0 25 26 1 0 26 27 1 0 27 28 1 6 6 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 29 2 1 0 32 2 1 0 27 5 1 0 27 9 1 0 23 13 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 1 6 42 1 6 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 1 10 48 1 0 10 49 1 0 11 50 1 6 13 51 1 6 15 52 1 6 18 53 1 0 19 54 1 6 20 55 1 0 21 56 1 6 22 57 1 0 23 58 1 1 24 59 1 0 25 60 1 0 25 61 1 0 26 62 1 0 26 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 29 67 1 1 30 68 1 0 30 69 1 0 31 70 1 0 31 71 1 0 32 72 1 1 33 73 1 0 M END