HMDB0015446 RDKit 3D Mestranol 49 52 0 0 0 0 0 0 0 0999 V2000 -4.1440 1.8312 1.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 0.9996 0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -0.0298 -0.3615 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6901 0.0793 -1.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -1.3789 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4946 -1.7122 0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -0.4335 0.5941 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2775 -0.5449 0.5460 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2339 -0.7388 1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 -0.0048 2.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 0.1931 1.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7247 0.0046 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4471 0.2178 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 0.0261 0.1019 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6180 0.2287 -1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 0.5972 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4759 0.7808 -1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 0.5714 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 0.7373 -0.0343 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3140 1.0949 -1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 1.2973 -1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3637 -0.0308 -0.7557 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1322 -1.0592 -1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 2.5611 2.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -0.3684 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3046 -2.1551 -0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5421 -1.2619 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -2.0860 1.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -2.4562 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0794 0.2919 1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 -1.3608 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4274 -1.8336 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5421 -0.4309 2.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 0.9883 2.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 -0.5912 3.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1531 -0.2895 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 1.2397 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3468 -0.5837 -1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6952 0.2213 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 0.7367 -2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 1.0779 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 1.5985 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 0.2162 -2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1837 1.9830 -1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 1.9907 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 1.6900 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -1.7795 -1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 -1.6147 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -0.5104 -2.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 3 2 1 1 3 4 1 0 3 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 2 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 6 22 3 1 0 22 7 1 0 19 8 1 0 18 11 1 0 1 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 1 8 31 1 6 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 19 42 1 1 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 23 47 1 0 23 48 1 0 23 49 1 0 M END