HMDB0034530 RDKit 3D Priverogenin A 82 86 0 0 0 0 0 0 0 0999 V2000 5.3816 2.6613 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9353 1.2916 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2935 1.2585 -1.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6276 0.2630 0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 -0.4793 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2858 0.2797 2.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 -1.1880 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -2.2730 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 -3.2035 0.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 -1.8714 1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 -1.3018 2.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 -2.0890 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 -0.8132 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5916 0.1111 1.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 -0.3314 -0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 0.0365 -1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 0.0211 -1.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 0.0679 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5902 0.3703 -0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 1.8331 -1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3161 -0.3938 -1.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 0.3323 -2.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4756 0.5503 -1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 -0.4809 -1.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8161 0.7388 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0088 2.1719 0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5939 -0.1458 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 0.3404 0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1818 -0.9928 1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -1.0922 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7966 -1.0704 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9731 -2.4231 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9872 -0.2290 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4515 1.2107 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 3.4466 -0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 2.9682 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 2.6188 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 0.5745 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 0.9588 -2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 2.2779 -2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4606 0.6539 1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0332 -0.5157 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3489 -1.3010 1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9945 0.8909 2.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5481 -2.2207 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 -2.9094 1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 -1.8943 3.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7301 -2.5527 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4086 -2.7337 0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 0.9787 1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 0.5295 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3468 -0.5353 2.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 0.4009 -2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 -0.8331 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 0.9492 -2.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 0.9940 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7915 2.4059 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 1.7911 -2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5814 2.3005 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7539 -0.4035 -2.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5933 -1.4189 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3727 1.2503 -2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1361 -0.3235 -3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0864 1.4817 -1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3536 -0.1309 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6425 2.2145 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 2.6216 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5484 2.7976 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 0.1202 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 0.1510 2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -1.2047 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8776 1.0838 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5732 -1.8466 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7368 -0.9620 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 -0.2846 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -2.1123 1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5367 -2.4940 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -3.2479 0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0365 -2.7203 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -0.4430 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 1.8017 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 1.6657 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 15 33 1 0 33 34 1 0 34 2 1 0 33 7 1 0 31 13 1 0 31 18 1 0 28 19 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 6 44 1 0 8 45 1 0 10 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 14 50 1 0 14 51 1 0 14 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 20 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 22 63 1 0 23 64 1 0 24 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 27 70 1 0 27 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 32 77 1 0 32 78 1 0 32 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 M END