HMDB0285301 RDKit 3D PE(PGD2/P-18:0) 133133 0 0 0 0 0 0 0 0999 V2000 10.7935 1.7063 -2.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7099 2.2894 -1.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0514 2.3076 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6634 0.9419 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7058 0.0872 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2540 -1.2779 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4646 -2.2493 1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1621 -2.0031 2.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 -0.9039 3.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9776 -0.7106 2.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 -0.3942 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0856 -0.2565 1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 0.0881 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 0.2324 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6287 1.2912 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 1.3202 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 -0.0597 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 -0.7533 -0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 -2.0354 -0.5773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -2.1385 -0.3905 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2007 -3.5926 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5798 -3.6787 -0.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 -3.1685 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 -2.6043 1.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -3.2953 1.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2964 -2.6635 2.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -1.1906 2.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -0.4080 1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6638 0.4971 1.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2808 0.8376 2.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7975 0.5569 2.7741 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2541 0.9325 4.1722 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1967 1.3082 4.9952 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1990 2.0999 4.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9041 2.6246 2.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9936 3.7743 2.3139 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 1.4777 1.8352 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.6811 0.9413 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1785 -0.2484 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3974 -0.6620 0.5670 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4410 -0.7318 1.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8154 0.3993 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0322 -0.0272 -1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9157 -1.2511 -1.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9885 -1.2245 -3.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5445 -1.0064 -2.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5262 -1.5765 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 -0.2473 -1.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 0.4072 -3.1184 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5313 0.3683 -3.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -0.4634 -4.5179 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 1.9942 -3.3376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6722 1.9991 -4.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 3.3900 -4.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 3.4293 -5.2084 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7528 0.5841 -2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8913 2.0707 -3.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7244 2.0429 -3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3185 3.3370 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9405 1.7420 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7576 2.9893 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9046 2.7152 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7133 0.4816 -1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6440 1.0441 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4650 0.6729 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7939 -0.0235 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2409 -1.1346 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5862 -1.7423 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5427 -2.5967 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0748 -3.2446 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6561 -2.9682 2.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1809 -2.0411 3.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9638 0.0763 3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3712 -1.1291 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -1.6610 2.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4929 0.0461 3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9951 0.6341 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9076 -1.0940 0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6862 -1.2410 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8378 0.5603 1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2705 1.0337 -0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1905 -0.7049 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 0.4197 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7821 -0.7406 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7819 1.0365 1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0175 2.2989 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 2.0766 0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 1.5333 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7243 -0.4093 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -0.3141 -1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -1.6390 0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.0791 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 -4.1019 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 -4.3657 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 -2.8183 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -3.1633 3.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4149 -2.8341 2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0006 -0.9655 2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4078 -0.8618 3.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3321 -0.5605 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 1.0333 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2145 1.9572 2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8397 0.4119 3.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8876 -0.5166 2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7455 0.0689 4.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4019 1.0938 5.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2331 1.7233 4.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0080 2.8515 4.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7394 1.8329 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1560 1.6687 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7150 -0.9491 1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3172 -1.6590 0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8719 -1.6148 1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1240 1.3321 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9923 0.7080 -1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3477 0.8456 -1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9000 -0.1394 -0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9421 -1.5414 -2.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6175 -2.1353 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0730 -2.1804 -3.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3295 -0.4339 -3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2374 0.0558 -3.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1979 -1.3287 -1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9671 -1.5973 -3.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 -2.1413 -2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -1.7693 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3214 -1.0375 -4.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 1.4485 -5.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 1.4217 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 4.0529 -4.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 3.7853 -3.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4839 2.6223 -5.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 3.7478 -4.7197 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 1 0 15 16 1 0 16 17 1 0 17 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 20 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 37 31 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 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 18 90 1 0 20 91 1 1 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 6 32105 1 1 33106 1 0 34107 1 0 34108 1 0 37109 1 6 38110 1 0 39111 1 0 40112 1 6 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 51127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 M END