HMDB0284779 RDKit 3D PE(PGE2/DiMe(11,5)) 141142 0 0 0 0 0 0 0 0999 V2000 15.7633 3.5145 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7327 3.4333 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6490 2.1711 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4039 1.8537 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1364 1.7108 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0926 1.3046 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6468 0.1083 -0.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7420 0.0401 -1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 -1.1973 -1.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6635 -1.3713 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4659 -1.2821 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0213 -1.5530 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 -0.6488 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -1.0069 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 -2.3818 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9117 -2.9546 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3763 -3.0442 1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -1.8297 2.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -1.1465 1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0283 -0.1481 0.8068 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5541 -1.6511 1.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -1.1794 1.0370 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5696 -0.8922 2.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7887 -0.4857 1.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 0.6270 0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 1.4417 0.6965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5278 0.8528 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7662 2.1858 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2475 2.2672 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1571 2.0741 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0013 1.0836 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1138 0.0673 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5095 -0.0257 -1.0786 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4849 -1.0889 -2.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1380 -1.0078 -3.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9941 -2.3092 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9704 -1.8149 -0.4273 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0402 -2.6716 0.6798 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5311 -0.4268 -0.0804 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.7017 0.5171 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0452 1.1870 1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2259 2.1385 1.0496 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7289 3.4284 1.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9879 2.0532 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1921 2.9205 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9070 4.3740 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2187 5.1739 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2031 4.7403 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -2.2807 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5004 -2.7779 -0.7524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -4.0161 -1.6737 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5746 -4.2328 -1.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 -3.8979 -3.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 -5.4533 -1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 -5.5092 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -6.7537 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1202 -6.7462 2.2959 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 1.2902 -2.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7305 1.7673 -3.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4691 2.1074 -1.3087 C 0 0 0 0 0 0 0 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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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 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 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 22 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 8 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 6 2 0 39 33 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 31103 1 0 32104 1 0 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