HMDB0299616 RDKit 3D DG(i-18:0/PGF2alpha/0:0) 123123 0 0 0 0 0 0 0 0999 V2000 -15.8486 2.3049 0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3076 3.1188 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8611 2.9099 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4759 1.5458 -0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7784 0.3922 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1642 -0.8420 -0.6749 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.3776 -1.9922 0.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7260 -0.5141 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9638 -0.3351 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5293 -0.0050 0.1606 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8018 -1.1942 0.7787 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8570 -0.8104 1.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1734 -1.9582 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5118 -1.2156 -1.5964 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4679 -1.1872 -2.5229 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9774 0.1329 -1.1933 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8850 1.1916 -1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 0.9557 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3216 1.7918 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 1.6446 1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 0.4089 1.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2176 0.3844 2.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4502 -0.8641 2.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9095 -1.9331 2.5515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -0.9347 1.3669 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -2.0968 1.1391 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4525 -2.5664 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3382 -3.6985 -0.3998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 -2.0937 1.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -1.0815 1.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -0.7101 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -1.3779 -0.4734 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3238 0.4830 0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 0.6148 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0549 -0.5299 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0492 -0.7136 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8908 0.5211 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7041 0.8808 -0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6624 -0.2062 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6201 -0.4854 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6230 -1.5622 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4736 -1.1910 -1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2521 0.0711 -1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1834 -0.0394 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8847 1.2956 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8298 1.2982 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9047 0.2588 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7979 0.3540 2.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7720 0.3977 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6110 1.5697 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4608 2.9960 1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0644 1.9258 1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4456 4.2145 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9192 2.9013 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5095 3.6315 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2506 3.1411 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9094 1.3030 -1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3595 1.5753 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8622 0.1707 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2541 0.4668 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7070 -0.9115 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5556 -1.7292 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3634 -0.4427 -1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4598 -0.4481 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4080 0.9025 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5110 -1.8741 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2516 -0.8148 2.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6071 -3.0009 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0816 -2.1097 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3815 -1.7441 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5864 -1.9460 -3.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7396 0.4873 -1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5808 1.2013 -2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3868 2.1663 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1392 0.0571 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 2.6951 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5724 1.6560 2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5423 2.5541 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9147 -0.5223 1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8638 0.4809 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 1.2428 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 0.4863 3.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1294 -2.9115 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2275 -1.8264 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -2.9566 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 -4.4642 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 -3.1043 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -2.2253 2.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6978 1.3865 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 0.3900 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 0.6286 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 1.5987 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5026 -1.4586 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6429 -0.3628 -1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5399 -0.9159 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7023 -1.5534 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 1.3933 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5825 0.3512 1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2794 1.8094 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0563 1.1559 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2783 0.0893 -2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0813 -1.1315 -1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 -0.9268 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0798 0.4425 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2380 -1.8540 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0268 -2.4577 -0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2073 -2.0088 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8838 -1.0788 -2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6384 0.9728 -1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9253 0.2014 -2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6532 -0.2946 0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9659 -0.8025 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4557 1.5170 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1425 2.0994 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2890 2.3112 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2243 1.1767 2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4249 -0.7593 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3170 -0.1054 3.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7610 -0.1226 2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9733 1.4324 2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4825 -0.4613 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3877 1.3104 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 0.4153 -1.1097 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 1 0 11 12 1 0 11 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 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 16 10 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 6 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 1 11 66 1 1 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 6 15 71 1 0 16 72 1 6 17 73 1 0 17 74 1 0 18 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 26 83 1 1 27 84 1 0 27 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END