HMDB0263815 RDKit 3D PA(18:1(9Z)/PGF2alpha) 126126 0 0 0 0 0 0 0 0999 V2000 15.8458 1.9677 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2804 0.6912 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7446 0.7412 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2145 -0.5343 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7282 -0.6448 1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 -0.5592 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5718 -0.7161 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7951 -0.6461 -1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9589 0.6344 -2.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9771 1.4473 -2.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 1.1227 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0274 2.2018 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 2.0548 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 1.8566 -1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 0.6116 -2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 0.5521 -2.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8881 0.5312 -1.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 -0.6806 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 -0.5300 0.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 -1.9380 -1.2672 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9002 -3.0628 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1885 -3.0093 0.8541 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6285 -4.1316 1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 -5.3697 1.3096 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 -6.5465 2.3966 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7621 -5.9682 3.7951 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -7.8766 2.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3445 -6.9619 1.9577 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -2.9578 0.7174 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0201 -1.8953 1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.8961 1.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5055 -2.0432 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1693 -2.2124 2.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 -0.9921 3.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 0.2042 2.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9755 1.2924 2.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5971 2.4614 1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0596 2.3655 1.1782 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5387 3.6655 0.5757 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0059 4.7707 1.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 3.5911 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2284 2.1341 -1.2027 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0797 1.6903 -1.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4107 1.3684 0.0597 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7699 0.9055 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 1.0088 -0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1519 0.4503 0.1627 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1350 0.4763 1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2454 1.3744 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6063 0.9321 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9967 -0.4339 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0494 -0.5774 -1.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0332 0.3419 -2.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2449 1.8325 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0766 2.7582 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7108 2.2744 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6475 0.4726 1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6346 -0.1475 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4638 1.6169 1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4833 0.8993 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7064 -1.3911 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5605 -0.5986 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4810 -1.6419 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2728 0.0874 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3950 -1.4151 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1997 0.4135 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1384 0.0749 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3253 -1.6875 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7971 -1.0442 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3441 -1.4102 -1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9632 0.9871 -2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1431 2.3890 -2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3439 0.1175 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 1.2541 -3.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1627 3.2209 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 2.2908 -0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 2.9760 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7434 1.2071 0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 2.7700 -1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 1.8973 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 0.4233 -2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3473 -0.2973 -1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 1.4779 -3.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -0.3502 -3.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8228 1.4625 -1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0998 0.3140 -2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -3.3175 -0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 -3.9305 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -2.0585 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7035 -4.0671 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1165 -3.9278 2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 -7.6441 2.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9952 -6.5412 2.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 -2.8747 0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 -1.1201 0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 -2.3866 1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7284 -3.1154 2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5472 -1.1785 4.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9279 -0.8506 3.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7091 0.1963 2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8907 1.3344 2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 3.3359 2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0119 2.7117 0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6003 2.1084 2.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6452 3.7077 0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2305 5.5659 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9497 3.8213 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5819 4.2639 -1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0425 2.0616 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 0.8866 -2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6725 0.5274 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9100 0.3927 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 1.4837 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2913 -0.5925 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2283 1.3574 1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1934 1.5153 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0529 2.3658 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3422 1.6659 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6310 1.0531 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2379 -1.1548 0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9713 -0.7368 0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0793 -0.4638 -2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3788 -1.6377 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5408 0.9874 -3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8253 -0.2275 -3.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5915 0.9877 -1.7493 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 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 22 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 44 38 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 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 21 87 1 0 21 88 1 0 22 89 1 1 23 90 1 0 23 91 1 0 27 92 1 0 28 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 36101 1 0 37102 1 0 37103 1 0 38104 1 1 39105 1 6 40106 1 0 41107 1 0 41108 1 0 42109 1 6 43110 1 0 44111 1 6 45112 1 0 46113 1 0 47114 1 1 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 53126 1 0 M END