HMDB0265802 RDKit 3D PA(22:2(13Z,16Z)/5-iso PGF2VI) 130130 0 0 0 0 0 0 0 0999 V2000 15.7217 -5.0737 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5161 -4.4814 -0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4611 -3.9943 0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3445 -3.3956 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2233 -2.8240 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8298 -1.8127 1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5076 -0.5597 1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5100 0.0903 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5112 0.7420 1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3415 2.0637 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0455 3.0075 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2264 3.8515 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3857 3.1562 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2387 2.3604 -0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3371 3.3230 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 2.6533 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 2.0267 -0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8478 3.0537 -1.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 4.1988 -1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 4.0649 -0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 3.4904 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5759 2.0816 -1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1861 1.5797 -2.4895 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 1.2421 -0.7204 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 -0.1280 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 -0.6455 0.1191 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4227 -2.1128 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 -2.5300 -1.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 -4.1930 -1.4111 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0991 -4.8786 -0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -4.8199 -1.3636 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2231 -4.6005 -2.9248 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 0.0577 -0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 0.9795 0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2409 1.1355 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2247 1.7703 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9611 1.3600 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 0.9273 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 0.7952 0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1474 1.7295 0.6447 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0787 1.7422 1.8241 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5446 2.5372 2.8345 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3544 2.3460 1.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1494 2.5005 -0.2358 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5359 3.7023 -0.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0776 1.4033 -0.4765 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8183 0.1299 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7856 -0.9244 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5631 -2.1896 -0.7106 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.8803 -1.8501 -1.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5710 -2.5045 0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3343 -3.7647 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7732 -3.7361 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5674 -2.6524 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0206 -2.6800 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3089 -5.6045 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4715 -5.7005 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3360 -4.2138 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0850 -5.2757 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8038 -3.6311 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0820 -4.8773 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9436 -3.2972 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 -2.5446 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9001 -4.1439 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3655 -2.5161 -0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8522 -3.6882 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5961 -2.1368 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0213 0.1318 2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9354 -0.6418 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0546 0.8022 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9317 0.0932 1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5679 2.4513 1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 2.5712 -0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6584 3.7376 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 4.5735 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9738 4.5552 -0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 2.4799 -2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9311 3.9059 -2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6623 1.9930 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5429 1.5409 -0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 3.7074 0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1663 4.1937 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4469 1.8321 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 3.3271 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 1.2697 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 1.5714 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 3.5064 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 2.5581 -2.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7328 4.8659 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 4.9533 -2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9624 3.4023 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 5.0751 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 4.1266 -2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 3.6993 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -0.4401 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 -0.6169 -0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 -0.3406 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -2.6244 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4026 -2.5873 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 -4.4000 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9374 -4.9432 -3.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8034 1.8288 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9002 2.8648 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4538 1.4197 -1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7184 0.6237 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3536 -0.2880 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4498 0.8909 1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7894 2.7855 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2426 0.7153 2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5987 2.7097 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2388 1.7443 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4685 3.3611 1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0588 2.2940 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9691 4.4871 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6615 1.4656 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4365 0.0890 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1773 -0.9203 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1653 -3.0335 -1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8372 -1.3441 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0887 -1.6931 1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5278 -2.6285 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2789 -4.0219 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8681 -4.6260 0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0110 -3.6893 -0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1884 -4.7465 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5608 -2.9394 2.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1122 -1.6613 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5082 -1.8241 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1873 -2.6692 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4442 -3.6454 1.3428 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 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 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 46 40 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 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 32101 1 0 36102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 6 41109 1 1 42110 1 0 43111 1 0 43112 1 0 44113 1 6 45114 1 0 46115 1 6 47116 1 0 48117 1 0 49118 1 6 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 55130 1 0 M END