HMDB0267616 RDKit 3D PA(PGF1alpha/i-14:0) 118118 0 0 0 0 0 0 0 0999 V2000 -11.5062 5.6947 -0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9658 4.3133 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8881 3.7904 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5110 2.4215 0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1245 2.5031 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6906 1.1500 2.1335 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4134 1.2708 2.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6182 0.1647 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5843 0.0312 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5416 -0.9599 -0.8954 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0367 -0.4040 -2.2069 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0425 0.0973 -3.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2985 -1.5754 -2.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3021 -2.6937 -1.8163 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5524 -3.3124 -1.9675 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2905 -1.8740 -0.5606 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5118 -2.5494 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5691 -3.4767 1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1983 -3.2623 1.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 -3.0594 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 -1.9849 -0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 -1.9470 -0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 -1.6607 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -1.3756 1.3938 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 -1.6946 -0.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8408 -1.4093 0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2228 -1.5176 0.2562 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4014 -2.9619 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 -3.0926 -0.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8304 -4.6899 -1.3409 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7756 -5.0497 -2.3453 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3487 -4.8264 -2.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -5.7444 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 -1.2093 1.2055 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 -0.2483 0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 0.2867 -0.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 0.0794 1.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4246 -0.8338 1.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 -0.6610 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4255 0.7629 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9901 0.9374 -1.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 0.0393 -1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3024 0.2770 -0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8179 1.6785 -0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9672 1.8391 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4632 3.2438 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6024 3.5723 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9889 5.0203 0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8110 2.7180 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6941 6.2621 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3934 5.6146 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6826 6.2188 -1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9405 4.5242 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9599 3.7094 -1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8530 4.4999 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9087 3.6989 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5227 1.7228 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2420 2.1339 1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0666 3.2580 2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4338 2.8203 0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4038 0.7936 2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9049 2.0406 2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4582 -0.5236 0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 0.6815 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4299 -1.5915 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2797 0.3807 -1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1572 1.0570 -2.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7882 -1.8814 -3.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2334 -1.3021 -3.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4761 -3.3900 -1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4815 -4.1452 -2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4876 -1.1057 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5166 -3.1054 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7753 -1.7156 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1534 -3.9717 2.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 -4.4283 0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9265 -4.1996 2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1601 -2.4843 2.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9348 -4.0639 0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 -3.1777 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1157 -0.9824 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5919 -2.2179 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 -1.1982 -1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 -2.9429 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 -1.9939 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 -0.3322 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3876 -0.8890 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 -3.6667 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 -3.1060 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9686 -5.3784 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -5.2742 0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7657 -0.1089 2.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4981 1.1405 1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 -1.9050 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2146 -0.7324 2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1355 -0.8727 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8107 -1.3675 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5707 1.4720 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2315 1.0266 0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1755 1.9928 -1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1508 0.6105 -1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5169 0.2721 -2.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8131 -1.0092 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9908 0.0821 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1431 -0.4045 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2575 1.9043 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0630 2.4439 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7060 1.5374 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7504 1.1055 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7574 3.4107 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6167 3.9187 0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2726 3.4965 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0835 5.6443 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6723 5.1142 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5032 5.4265 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8009 1.8724 1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7041 3.3414 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 2.4222 -0.1563 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 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 1 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 6 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 1 17 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 6 28 88 1 0 28 89 1 0 32 90 1 0 33 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 48113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 49118 1 0 M END