HMDB0268172 RDKit 3D PA(i-20:0/PGF2alpha) 134134 0 0 0 0 0 0 0 0999 V2000 13.3928 -2.7052 2.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8536 -2.2348 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3004 -0.7711 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7317 -0.3425 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7060 -0.3783 -1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5442 0.5316 -1.4652 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9516 1.8801 -1.4082 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6766 0.1883 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0861 1.1735 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2016 0.8505 1.5491 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7375 1.5579 2.7475 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4876 0.7203 3.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5395 2.0858 3.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6442 2.5086 2.3000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3472 2.7410 2.6861 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8007 1.3941 1.2932 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7551 0.3202 1.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3921 0.8378 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4008 0.9359 2.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 1.4853 1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 0.5416 1.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 1.2232 1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 1.5354 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4309 2.6219 -0.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5218 0.5878 -1.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 0.7988 -2.4849 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4164 0.8883 -3.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -0.2241 -3.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0281 -0.7401 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 -0.1524 -0.9255 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8393 -1.9797 -2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -2.2036 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6637 -1.0358 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 -0.8461 -1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 0.3167 -1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 0.2264 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2657 1.4936 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0385 1.7464 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0297 0.8019 -2.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2474 0.4804 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1249 -0.1490 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4972 -0.4289 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3129 0.7919 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6721 0.4833 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4846 -0.4238 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8411 -0.6820 0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9996 -1.3047 2.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4814 -0.6011 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4603 -1.7534 2.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 -0.2535 -3.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 -1.5181 -2.9182 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0554 -2.7208 -3.5813 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9060 -4.0359 -2.8588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 -2.9621 -5.2054 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6969 -2.2736 -3.4735 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3898 -3.1814 2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3206 -1.8784 2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 -3.4841 2.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7386 -2.8775 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0934 -2.4435 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4864 -0.1637 1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1998 -0.7442 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6207 -0.9665 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1267 0.7104 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2065 -0.1631 -2.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3361 -1.4331 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9084 0.4045 -2.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1352 2.1535 -2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4499 -0.8183 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2869 2.1851 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1478 -0.2217 1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3650 2.4537 2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9940 -0.1514 3.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7576 2.9549 4.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0484 1.2533 3.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1116 3.4593 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2854 2.6564 3.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 1.7605 0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 0.0729 2.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9764 -0.6105 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2212 1.1680 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5829 0.6104 3.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 2.4384 2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 1.7352 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 0.3128 2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1047 -0.3706 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8399 0.5101 1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 2.1140 1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 1.8030 -2.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 1.0640 -4.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1059 1.8181 -2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 -1.9667 -3.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 -2.8776 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 -2.2113 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 -3.1124 -1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1635 -0.1211 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3386 -1.3469 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8955 -0.5932 -2.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 -1.8012 -2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9874 0.5871 -2.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7948 1.2152 -1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8321 0.2095 0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0301 -0.6940 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4477 2.3173 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7167 1.6055 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3389 2.0995 -2.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6078 2.7279 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4184 1.2478 -3.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5740 -0.1636 -2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8318 -0.2659 -2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9442 1.3666 -1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6404 -1.1633 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5817 0.4033 0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0258 -1.0830 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3167 -1.0332 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5009 1.2881 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8370 1.5535 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4938 0.0094 2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1875 1.4403 1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5895 -0.0691 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0006 -1.4563 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4419 -1.3024 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4659 0.2727 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4315 -2.2965 2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2782 -0.7502 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4166 0.5010 3.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5844 -1.0643 3.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7357 -2.3030 1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5430 -2.3235 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0315 -0.8010 2.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 -0.1791 -2.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7053 -0.0583 -4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6505 -3.9311 -5.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8514 -1.3831 -3.8797 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 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 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 26 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 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 6 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 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 1 27 90 1 0 27 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 48125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 54133 1 0 55134 1 0 M END