HMDB0284677 RDKit 3D PE(PGD2/DiMe(11,3)) 135136 0 0 0 0 0 0 0 0999 V2000 15.0450 1.8625 4.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7370 0.6467 3.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6782 -0.1862 4.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4437 0.6176 4.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7967 1.1339 3.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3605 0.0276 2.6506 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4105 -0.7392 2.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6049 0.6321 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7739 -0.0939 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9868 0.4168 -0.3931 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3415 1.8277 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0919 2.7610 0.0826 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0371 1.9501 -1.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3295 0.5358 -2.3726 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1089 0.4293 -3.7477 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3986 -0.3637 -1.6076 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2489 -0.8774 -2.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4006 0.1995 -2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1207 0.3736 -2.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 -0.5308 -1.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2237 -1.2034 -2.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2257 -0.3479 -3.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 0.5256 -2.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9561 1.6373 -2.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 0.2224 -1.9212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4344 1.0863 -1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 0.3441 -0.8357 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3817 -0.1364 -2.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 -0.9647 -2.0431 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 -1.4952 -3.5681 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4725 -1.8673 -3.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -2.9523 -3.8586 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -0.3771 -4.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 -0.8494 -5.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 0.2374 -6.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 1.0258 -6.4287 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 1.0614 -0.1247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3916 0.7735 1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -0.3111 1.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 1.6337 1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4315 0.9378 2.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3537 0.0131 1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 -1.1317 1.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8303 -2.0079 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6438 -1.2894 -0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6401 -2.1588 -1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6704 -2.8070 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5377 -1.8204 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5960 -2.5551 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4250 -1.5223 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6249 -1.1047 1.3787 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0884 -0.1895 2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3995 0.5281 2.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1479 1.9384 1.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4854 1.8414 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1593 0.0541 3.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2604 1.0091 4.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1206 -0.8041 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8778 -0.8966 3.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3802 2.7106 4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0633 1.5516 5.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0870 2.1910 4.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3957 0.9904 2.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6652 0.0679 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0851 -0.4449 5.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 -1.1295 4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6462 1.4418 5.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6677 -0.0192 5.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9084 1.7480 3.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4276 1.8735 3.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6283 -0.6650 3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7587 -0.4214 1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 1.6731 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 -1.1493 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9124 0.2938 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0084 2.5125 -1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4679 2.5251 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4041 0.3104 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6118 -0.3246 -4.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0436 -1.2575 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7613 -1.4171 -3.3067 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1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 52 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 16 10 1 0 58 50 2 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 6 71 1 1 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 1 13 76 1 0 13 77 1 0 14 78 1 6 15 79 1 0 16 80 1 1 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 1 28 94 1 0 28 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 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