HMDB0295119 RDKit 3D DG(14:0/0:0/5-iso PGF2VI) 105105 0 0 0 0 0 0 0 0999 V2000 12.8681 2.1909 1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4718 3.1618 2.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0071 3.3515 2.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1811 2.2104 2.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1575 0.9858 1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1948 -0.0605 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1925 -1.3045 1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7563 -1.0745 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7870 -2.3260 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9271 -3.4435 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4397 -3.1495 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9495 -2.7429 -1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -2.4937 -1.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -1.4563 -0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5938 -0.8166 0.0544 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 -1.1490 -0.9322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8889 -0.2128 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 -0.1427 -0.6996 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5520 0.2734 -2.0124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 -1.4788 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -1.5564 -1.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 -1.4428 -2.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -1.2502 -3.2223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2038 -1.5164 -2.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -2.1984 -2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2765 -1.7184 -1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7522 -0.3399 -1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0339 -0.3117 -2.5532 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5039 1.1390 -2.7579 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8586 1.7376 -3.8242 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9978 1.0707 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3700 -0.3631 -2.7654 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3515 -0.9791 -4.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2264 -0.9637 -1.9398 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4054 -0.7969 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4376 -0.2322 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6308 -0.0620 1.5492 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5088 1.0011 1.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4183 -0.0056 2.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4585 1.0966 2.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0386 2.4635 2.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5478 2.7349 3.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1311 4.1456 3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7733 2.6463 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3155 1.2677 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1175 1.9669 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8351 2.7649 3.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0133 4.1393 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6122 3.7297 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8351 4.2178 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1226 2.5860 2.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4866 1.9388 3.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9009 1.2113 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1871 0.5158 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2049 0.3855 2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6151 -0.3344 3.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2145 -1.7807 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5264 -2.0409 2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4864 -0.3718 -0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 -0.5403 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8548 -2.7036 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -2.1358 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1812 -3.8490 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -4.2871 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 -4.1014 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1785 -2.4208 0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2558 -3.4538 -2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4509 -1.7633 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -2.3039 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -3.4387 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3301 0.7782 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -0.6371 0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 0.6294 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 1.2325 -2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 -1.7019 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -2.3094 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 -2.0839 -3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 -0.4971 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -3.2561 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9145 -2.3615 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 0.1790 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 0.2612 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8733 -0.7399 -3.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3063 1.7303 -1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8139 1.1899 -4.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2407 1.4346 -3.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4869 1.7353 -2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3549 -0.5215 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0300 -0.3499 -4.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2254 -2.0493 -2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6251 -1.1633 0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2303 0.1500 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2118 -0.9742 1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4065 0.7211 1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7821 0.1338 3.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9253 -0.9979 2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9316 0.9680 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6498 1.0143 2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 3.1998 2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8345 2.7173 1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3063 2.0289 4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7141 2.7133 4.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6113 4.2993 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8604 4.2930 2.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3056 4.8746 3.6105 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 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 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 34 28 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 17 71 1 0 17 72 1 0 18 73 1 1 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 28 83 1 6 29 84 1 1 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 1 33 89 1 0 34 90 1 1 35 91 1 0 36 92 1 0 37 93 1 1 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 43105 1 0 M END