HMDB0264505 RDKit 3D PA(PGF1alpha/19:0) 133133 0 0 0 0 0 0 0 0999 V2000 12.4936 -2.9599 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7854 -2.6965 -1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0114 -1.4291 -1.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7202 -0.1377 -1.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4690 0.1197 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0945 1.5121 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0516 2.6156 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1157 2.5642 1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1059 3.6577 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1930 3.7019 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3598 2.4803 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4790 2.1134 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4925 3.1502 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5118 3.5765 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 2.6522 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 1.8293 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 0.8024 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2338 -0.0144 1.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -0.7974 1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 -0.6986 -0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5134 -1.7374 1.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6671 -2.5211 0.7726 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6721 -2.8111 1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 -1.7594 1.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 -0.7633 0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6402 -0.7937 -0.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8923 0.3047 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7447 0.8403 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -0.0551 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4461 -1.3362 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6031 -2.1775 -1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6297 -1.7074 -2.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5833 -0.6494 -1.9168 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5058 -0.4055 -3.1159 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6933 -0.4453 -4.2502 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4143 -1.5795 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5009 -2.0513 -1.6588 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0671 -3.4039 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5715 -1.2186 -0.8805 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1857 -0.1326 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4670 0.1895 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8430 1.3495 0.7946 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7577 2.2166 0.8501 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0884 2.0550 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2987 1.1832 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6384 0.6010 1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9119 1.6669 2.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0751 2.5346 2.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3816 -3.9171 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 -3.6671 0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 -5.0174 -0.0463 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6727 -4.6659 -1.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 -6.3479 -0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3289 -5.3550 1.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1340 -2.3606 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3521 -4.0632 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6046 -2.8533 -0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5423 -2.7290 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0454 -3.5245 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2169 -1.4577 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3846 -1.4758 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4321 0.0194 -2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9525 0.6736 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3590 -0.5749 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8503 -0.0105 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7176 1.6001 -1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7567 1.6628 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5999 3.5706 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5209 2.5816 -1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5941 1.5665 1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7319 2.6737 1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5495 3.6307 1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 4.6304 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5761 4.6229 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8183 3.8278 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0349 1.6250 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7150 2.6480 -1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0357 1.1187 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 1.9165 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 4.1006 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1142 3.0310 2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 4.2576 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8433 4.3500 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 3.2905 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 1.9769 -1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 2.5949 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.3853 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0344 1.1722 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 0.0430 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 0.6556 2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -0.6825 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 -2.1852 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -3.5795 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -3.3854 2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 1.1754 1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5185 -0.0377 2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 1.1046 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1762 1.8544 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1756 0.5867 -1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7109 -0.0954 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 -1.1540 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8638 -2.0046 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0728 -2.5991 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 -3.1444 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1915 -2.6268 -2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0779 -1.3834 -3.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1937 0.2792 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0114 0.5689 -3.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4299 0.4406 -4.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9616 -2.3812 -3.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4147 -1.3674 -3.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5382 -2.0935 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 -3.8943 -2.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9333 -1.8241 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4564 0.5021 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1813 -0.4013 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9498 0.9370 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0654 3.0942 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9009 2.3702 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2966 2.9738 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2807 0.3853 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1690 1.8527 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5936 0.0316 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8986 -0.1206 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2690 1.1098 3.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0318 2.2338 3.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6021 2.8879 3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7396 1.9197 1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6741 3.3986 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 -4.3219 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7546 -4.6241 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 -6.6108 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -5.8295 2.0262 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 1 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 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 22 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 39 33 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 22 92 1 6 23 93 1 0 23 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 1 34108 1 1 35109 1 0 36110 1 0 36111 1 0 37112 1 1 38113 1 0 39114 1 1 40115 1 0 41116 1 0 42117 1 1 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 53132 1 0 54133 1 0 M END