HMDB0267978 RDKit 3D PA(i-18:0/5-iso PGF2VI) 122122 0 0 0 0 0 0 0 0999 V2000 -15.0077 3.1998 -1.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6123 3.3371 -1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5840 3.4518 -2.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1909 3.5911 -1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7702 2.3976 -0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3726 2.5965 -0.2477 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3600 3.7748 0.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 1.4958 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6605 0.3793 0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3565 -0.6918 1.7505 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0741 -0.6131 2.5508 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8268 -1.0310 1.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4149 -0.3205 0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2671 0.3414 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2539 0.4627 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 -0.1309 1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 -0.3492 1.9108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 -0.4513 -0.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -1.0237 -0.5922 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7877 -0.1380 -1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4467 -0.7072 -1.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 -0.9286 -1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 -0.6437 0.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 -1.5408 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -1.7540 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -0.5087 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 0.4909 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0610 -0.0385 -1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 -0.5040 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5895 0.6241 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6211 0.1472 1.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8442 -0.3703 0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8914 -0.8409 1.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1268 -1.3424 1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0589 -0.4315 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5775 0.4045 -0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6270 1.1803 -1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4296 2.1742 -0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2987 1.6803 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2730 2.9444 -1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 -2.3879 -1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 -3.2612 -0.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -4.7616 -1.0593 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4376 -4.6937 -2.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 -5.4188 -1.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 -5.8328 0.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3823 -1.8564 3.4752 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4370 -1.4380 4.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8308 -2.8768 2.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1664 -2.0791 1.1655 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.3989 -2.5492 0.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0573 3.4979 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3635 2.1400 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7379 3.8065 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5890 4.2197 -0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4568 2.4377 -0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8221 4.4127 -2.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7205 2.6453 -2.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0875 4.5093 -1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5236 3.6672 -2.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4837 2.3262 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8474 1.4711 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6221 2.6359 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0461 3.7287 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1393 1.6784 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5469 0.2659 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1605 -0.8518 2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9451 0.2816 3.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0215 -1.0211 2.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8772 -2.1570 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0831 -0.3393 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0719 0.8363 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 0.1645 2.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 1.5763 1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -1.1555 0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3883 -0.0812 -2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 0.8760 -1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1049 -0.9809 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 -2.5454 -1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 -2.3885 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5596 -2.3301 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 0.0281 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9637 -0.7338 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 1.3888 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1228 0.7944 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 0.7851 -1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8376 -0.8564 -2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7771 -1.3141 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9772 -0.8247 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7142 1.0918 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0397 1.4263 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1975 -0.7175 2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 0.9655 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0939 0.3659 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 -1.2701 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4237 -1.6180 2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1214 0.0098 2.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7101 -1.8749 1.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8860 -2.2083 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5073 0.2056 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9037 -1.0752 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9658 -0.1566 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.2774 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2727 0.3965 -2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0810 1.6346 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7130 2.9681 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8908 1.9938 1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5425 0.6075 0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3289 2.1874 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6103 3.6907 -2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5813 2.2084 -2.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1530 3.3731 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 -2.7924 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 -2.2436 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -5.5937 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 -5.3447 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4763 -2.1259 4.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0751 -1.1000 5.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0696 -3.6433 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7582 -3.3793 2.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4373 -2.1699 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3118 -2.8414 -0.2841 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 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 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 38 40 1 0 19 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 11 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 50 10 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 6 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 1 11 68 1 1 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 19 75 1 1 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 0 25 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 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 39107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 45115 1 0 46116 1 0 47117 1 1 48118 1 0 49119 1 0 49120 1 0 50121 1 6 51122 1 0 M END