HMDB0268239 RDKit 3D PA(PGF1alpha/i-20:0) 136136 0 0 0 0 0 0 0 0999 V2000 13.9393 4.2300 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1548 3.2096 1.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5889 1.7993 1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4263 1.5088 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8445 0.1001 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0573 -0.9662 0.1397 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6100 -2.1945 -0.2719 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6296 -1.0016 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7121 -0.1803 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3311 -0.1576 -0.3488 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0646 1.2261 -0.9699 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0376 2.2229 -0.0306 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7508 1.0276 -1.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0068 -0.3072 -2.3690 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8981 -0.9607 -2.8096 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8668 -1.0905 -1.3837 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0387 -2.2126 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 -1.8144 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0629 -3.0255 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7964 -2.6364 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 -3.8395 1.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6969 -4.8743 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7393 -4.3942 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4477 -5.1436 -1.1994 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 -3.1572 -0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 -2.8288 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4969 -1.4954 -1.0363 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5338 -0.4135 -1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 0.8634 -1.0752 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 2.0967 -1.1607 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6083 3.0609 -2.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 2.9887 0.2666 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 1.4662 -1.5206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 -1.3714 0.1587 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6296 -1.2193 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -1.2221 -0.9813 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 -1.0917 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 0.2641 2.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1139 1.3641 1.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4097 1.8253 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 1.0751 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7965 1.0865 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3024 0.6728 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8348 0.6207 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4196 -0.3754 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9132 -0.3890 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4745 0.9488 -0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9956 0.9689 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4993 0.6661 1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0003 0.7099 1.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6516 -0.2887 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1568 -0.2325 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6658 1.0999 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1851 1.1324 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2198 1.3032 -1.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3162 5.0157 1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8350 3.8085 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2808 4.7748 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0681 3.3181 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2119 3.4447 2.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6797 1.7058 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0160 1.1224 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4331 1.7966 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1624 2.1771 -0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6999 -0.0159 -1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9348 0.0220 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0174 -0.9516 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9362 -2.1273 -1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3311 -1.7090 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9573 0.5696 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -0.1777 0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8824 1.4181 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 1.9002 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8942 1.0333 -1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 1.8483 -2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6021 -0.0438 -3.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1095 -0.3850 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6522 -1.5509 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 -2.9166 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6595 -2.8538 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0696 -1.2702 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0048 -1.1722 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -3.7008 -0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6911 -3.5554 1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0748 -1.9818 2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1016 -2.0953 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 -3.4459 2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6808 -4.2665 2.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1761 -5.6829 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 -5.3288 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4006 -3.6586 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 -2.7997 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 -1.3947 -1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 -0.4420 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 -0.4542 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5923 2.6728 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 2.2228 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 -1.7932 2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 -1.5641 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3493 0.1402 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1194 0.6342 2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6641 2.3000 2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 1.1778 2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6811 2.9394 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 1.8610 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 1.4311 -1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 -0.0141 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2543 0.3845 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2291 2.0841 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1126 1.5710 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8467 -0.2379 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1511 0.3885 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1586 1.6710 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0079 -1.3795 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1028 -0.1728 -0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3711 -1.2151 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1639 -0.5749 1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2099 1.1657 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1195 1.7596 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3319 1.9920 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4266 0.2767 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1021 1.4291 2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2064 -0.3627 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3351 0.5183 2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2961 1.7657 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3282 -1.3046 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3146 -0.2494 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4992 -0.4198 1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5717 -1.0594 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2476 1.8838 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6006 0.9558 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5432 0.3293 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5684 2.1174 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5900 0.4072 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1315 1.4527 -1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7695 2.1872 -1.7166 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 1 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 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 16 10 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 1 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 1 11 72 1 6 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 6 15 77 1 0 16 78 1 6 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 6 28 94 1 0 28 95 1 0 32 96 1 0 33 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 55136 1 0 M END