HMDB0267563 RDKit 3D PA(i-14:0/5-iso PGF2VI) 110110 0 0 0 0 0 0 0 0999 V2000 -13.2015 2.8486 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7325 1.3963 1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3350 1.3197 1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3737 2.1751 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9868 2.2187 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2555 0.9140 1.5125 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9331 0.0256 2.3361 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1212 0.2706 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9429 0.0010 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8789 -0.6429 -1.7038 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0952 -1.9177 -1.6743 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8903 -1.8057 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -3.0958 -0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9301 -3.1888 -1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1058 -2.0572 -1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 -1.9852 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8263 -2.8231 0.3433 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0203 -1.0129 -0.6618 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 -0.9272 0.2472 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9523 0.3558 1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 0.6451 1.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 -0.1466 3.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -1.2276 3.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 0.1511 4.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -0.1096 3.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8876 0.7808 2.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 0.5905 1.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3393 0.8406 2.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7301 0.6561 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3269 1.5162 1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.6336 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7090 0.3689 -0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0132 -0.3277 -0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0575 0.4954 -1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5677 0.8930 -2.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3197 -0.3543 -1.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4389 -1.0070 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 -2.2184 -1.0911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1411 -2.2582 -1.7741 P 0 0 0 0 0 5 0 0 0 0 0 0 5.2073 -1.6114 -0.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0647 -1.4222 -3.2666 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -3.8730 -2.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5793 -2.0784 -3.0710 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5074 -2.7299 -3.8845 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2898 -0.6773 -3.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1412 0.2294 -2.6824 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0442 0.8787 -3.5382 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8942 3.2755 2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2810 2.8390 0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6920 3.3769 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7027 1.0772 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4087 0.7660 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0866 0.2222 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4760 1.6188 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4417 1.9199 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7697 3.2324 0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3658 2.9418 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0084 2.6701 2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 1.0369 1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3916 -0.7937 2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0374 0.0348 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0780 0.2624 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8725 -0.8367 -2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7234 -2.7935 -1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3494 -0.9267 -1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2767 -1.5992 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -4.0114 -0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -4.1984 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -1.0946 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 -2.3281 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 -1.7701 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0795 0.3329 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8816 1.1743 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 1.2409 4.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 -0.3846 5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2957 -0.0951 4.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 -1.1832 3.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7929 1.8568 2.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.6212 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 -0.4222 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 1.3042 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2782 1.9183 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1714 0.2578 3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 -0.4575 2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4091 0.7621 3.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4684 1.3913 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 2.5874 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9321 2.2495 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6205 2.2486 -0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 0.6859 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9679 -0.3459 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4494 -0.7221 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 -1.2467 -1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3549 1.3666 -1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 0.0486 -3.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8233 1.7052 -2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4137 1.1920 -3.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9866 0.0940 -2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8202 -0.5541 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9672 -1.3265 -2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1645 -1.1335 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 -0.1354 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 -1.8198 -3.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7099 -4.4298 -2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6199 -2.6369 -3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4658 -3.7032 -3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4517 -0.5562 -4.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 -0.3940 -3.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5584 1.0136 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6554 1.4567 -3.0155 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 34 36 1 0 19 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 39 42 1 0 11 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 46 10 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 1 7 60 1 0 8 61 1 0 9 62 1 0 10 63 1 6 11 64 1 1 12 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 19 71 1 1 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 41103 1 0 42104 1 0 43105 1 1 44106 1 0 45107 1 0 45108 1 0 46109 1 1 47110 1 0 M END