HMDB0002982 RDKit 3D Prostaglandin B1 56 56 0 0 0 0 0 0 0 0999 V2000 7.4642 1.3816 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 1.9985 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 2.4226 0.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2271 1.2439 1.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 0.1980 1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9835 0.7576 0.8656 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3083 1.2148 1.9699 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 -0.3497 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 -0.1866 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 -1.2876 -0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 -1.2490 -1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7905 -0.0767 -1.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0107 -0.1945 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9328 -1.2896 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1496 -1.5116 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2377 -0.5472 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0367 0.8088 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3707 1.5480 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3782 0.9448 0.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4467 2.8381 1.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 -2.5474 -2.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -2.8061 -3.0323 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 -3.5053 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8733 -2.6239 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8359 1.7502 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4304 0.2810 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2317 1.6872 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 2.9444 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 1.3655 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2086 3.0731 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5305 2.9753 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 0.7426 2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 1.6433 2.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 -0.6827 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 -0.1160 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 1.6053 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 2.0394 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6827 -1.3326 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 0.7610 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 0.8534 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 0.1404 -2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5043 0.7872 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 -0.3145 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3798 -2.3015 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 -1.1506 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8776 -1.9274 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6243 -2.4659 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0468 -1.0250 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7843 -0.5094 -0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4697 1.4697 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5788 0.7597 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0446 3.5625 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 -4.3672 -1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -3.7512 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -2.7090 -2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -2.9699 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 2 0 18 20 1 0 11 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 10 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 6 7 37 1 0 8 38 1 0 9 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 20 52 1 0 23 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 M END