HMDB0294591 RDKit 3D DG(10:0/0:0/PGE1) 99 99 0 0 0 0 0 0 0 0999 V2000 14.1800 3.3300 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9466 1.9049 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9247 1.2125 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7438 -0.2143 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7759 -1.0115 -0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3597 -0.4771 -0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 -0.3677 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3816 0.1559 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4601 -0.7880 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 -0.1175 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5181 0.3370 -1.1353 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5507 -0.0378 1.1137 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3398 0.5155 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 -0.1858 0.8898 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1184 -0.2210 -0.4779 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 -1.5621 1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7527 -2.1501 1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 -2.5328 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9142 -2.3762 -0.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -3.1426 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 -1.9940 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9598 -0.9463 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 0.2159 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2861 0.1574 -0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1624 -0.6662 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6462 -0.4338 -0.5260 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8425 -0.8030 -1.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6742 -0.0587 -2.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2765 -2.2042 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5792 -2.6400 -0.6482 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5412 -3.5373 -0.2896 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5377 -1.4247 0.2116 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8359 -0.8289 0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0212 -1.2257 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2756 -0.5085 0.6037 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4617 -0.6013 1.9717 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1142 0.9195 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3267 1.7197 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1680 3.1780 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3807 3.9741 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6185 3.9815 1.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1673 3.4606 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4830 3.9786 0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2339 3.5959 0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5274 1.8469 1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8681 1.2818 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9988 1.8240 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3080 1.3008 -1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7429 -0.7150 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5480 -0.2896 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8488 -2.0560 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1259 -0.9677 -1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7615 -1.2453 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2801 0.4568 -1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3660 0.2859 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7272 -1.3694 1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3635 1.1056 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9826 0.3398 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 -0.8380 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 -1.7468 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 0.4919 2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 1.6011 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 0.3649 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 0.5379 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -1.3865 2.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8563 -2.2244 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2468 -3.9120 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 -3.5741 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 -2.4031 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 -1.5639 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -1.4072 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 -0.6058 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 0.8179 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4654 0.9717 -1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5306 -0.0872 -2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6695 1.2342 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0633 -1.7719 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1253 -0.4498 0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9022 0.5807 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2308 -2.1952 -2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5089 -2.8415 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5193 -3.2141 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5728 -4.2518 -0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9745 -1.6828 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8234 0.0531 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1258 -2.0681 -0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1530 -0.9146 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9159 -1.4532 2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1700 1.3948 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0172 0.9167 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4666 1.6622 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2164 1.2763 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2234 3.5989 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0758 3.1918 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1616 5.0457 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2433 3.6152 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7412 4.9993 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5386 3.3795 2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7900 3.4801 2.5438 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 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 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 32 26 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 13 61 1 0 13 62 1 0 14 63 1 1 15 64 1 0 16 65 1 0 16 66 1 0 20 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 22 71 1 0 22 72 1 0 23 73 1 0 23 74 1 0 24 75 1 0 24 76 1 0 25 77 1 0 25 78 1 0 26 79 1 6 29 80 1 0 29 81 1 0 30 82 1 6 31 83 1 0 32 84 1 1 33 85 1 0 34 86 1 0 35 87 1 6 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 M END