HMDB0285092 RDKit 3D PE(DiMe(9,5)/PGD2) 135136 0 0 0 0 0 0 0 0999 V2000 -12.1453 4.2447 2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7511 4.9317 1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4370 4.3241 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3372 4.5262 1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9923 3.9935 1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 2.5291 1.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5322 1.6327 2.0331 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6246 0.4277 1.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.8284 2.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0284 -1.5092 1.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7217 -0.8634 1.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3894 0.3982 1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4302 0.6773 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0832 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8824 -1.3008 -1.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4743 -2.4384 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 -2.4185 -0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 -1.4874 -0.9113 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -3.3887 0.3256 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 -3.4330 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 -3.6684 -0.6674 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0781 -4.9160 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 -5.0290 -2.5849 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 -6.3264 -3.4602 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3608 -6.6580 -3.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 -5.9632 -5.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 -7.6420 -3.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5141 -7.8792 -2.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 -9.1230 -2.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 -10.2712 -2.5203 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -3.7822 -0.5742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 -2.8593 -1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -1.9809 -1.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2777 -3.0523 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -2.2304 -2.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -0.7743 -1.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 0.0699 -1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 0.8372 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2492 0.9101 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7686 2.2499 0.6555 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8133 3.3748 0.7252 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5384 3.0592 1.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3982 4.3409 1.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4126 3.5845 2.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 4.0459 3.4427 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4783 2.2211 2.0106 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7938 1.5907 1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 2.1367 2.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1888 1.3208 2.0610 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8275 -0.0215 2.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7918 1.5850 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 3.0652 0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7105 3.4587 -0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0035 4.9590 -0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9717 5.2637 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1442 0.5132 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4252 -0.6209 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3430 1.8585 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8468 2.3807 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5540 3.3209 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9464 4.9090 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39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 2 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 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 46 40 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 20 87 1 0 20 88 1 0 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 6 41110 1 6 42111 1 0 43112 1 0 43113 1 0 46114 1 1 47115 1 0 48116 1 0 49117 1 1 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 57130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 M END