HMDB0289345 RDKit 3D PC(DiMe(9,5)/PGE2) 144145 0 0 0 0 0 0 0 0999 V2000 1.4595 8.7022 2.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 9.3762 1.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 8.4098 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 7.5974 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 6.6461 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 5.8252 -1.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 4.5613 -1.7467 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4257 4.1143 -2.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1246 2.7415 -2.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4983 1.8748 -3.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 0.5203 -3.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 -0.4483 -4.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -1.7865 -4.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3062 -2.7356 -5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3868 -4.0928 -5.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2576 -4.6843 -4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 -4.9099 -3.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 -4.8898 -4.6905 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 -5.1412 -2.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -5.3463 -2.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2959 -5.4720 -0.7994 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7360 -6.6638 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 -6.5710 0.1067 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 -7.8741 0.9189 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7278 -8.9749 0.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7378 -8.3903 0.2100 O 0 0 0 0 0 1 0 0 0 0 0 0 0.3203 -7.4130 2.5179 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 -6.2675 2.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -5.8826 4.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -4.7167 4.7832 N 0 0 0 0 0 4 0 0 0 0 0 0 2.0624 -4.9435 5.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -4.1796 3.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 -3.6334 5.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 -4.2529 -0.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0666 -3.4398 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2371 -3.8976 -0.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1166 -2.1913 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8727 -0.9302 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 -0.6378 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -1.6806 -0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 -2.2421 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -1.9055 0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 -1.4063 0.2939 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2390 -2.3789 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 -3.1674 -1.2463 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 -2.1980 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 -1.9441 1.6167 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6749 -3.1293 2.0837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -0.9267 1.5099 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6527 0.4312 1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8911 0.8428 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3068 2.1990 0.8436 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6730 2.1496 0.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0996 3.2611 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7792 3.0824 3.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4243 1.9229 4.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9781 1.8982 4.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 3.1622 5.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 5.1426 -3.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 5.1871 -4.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 6.2255 -3.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 7.5654 -3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 9.1645 3.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 7.6126 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 8.7743 2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 10.1986 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 9.8760 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 7.7355 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 9.0098 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1365 8.2261 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 7.0497 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 7.2798 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 5.9960 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 2.2450 -1.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2387 2.7664 -2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4254 2.3284 -4.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 1.7630 -3.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0261 0.0774 -2.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 0.6671 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2047 -0.0261 -5.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -0.5506 -4.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 -2.1967 -3.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3793 -1.6902 -4.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 -2.8148 -5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 -2.3353 -6.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4615 -3.9100 -5.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 -4.7665 -6.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 -5.7049 -4.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -4.1015 -3.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 -4.5058 -2.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -6.2490 -2.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 -5.6368 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 -7.5449 -0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 -6.9059 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -6.5847 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 -5.4379 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4596 -5.7005 4.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9474 -6.7373 4.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 -5.4381 6.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 -5.4821 5.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 -3.9501 6.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 -4.9028 3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7912 -3.7506 2.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7957 -3.3114 4.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8437 -2.9692 5.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -4.0347 5.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1905 -2.9933 4.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 -2.1956 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 -2.1051 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2973 -0.0889 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 -0.9118 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 0.3567 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8524 -0.3185 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 -2.0289 -1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -3.0159 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 -1.2017 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -2.8384 1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2065 -0.5617 -0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -3.1070 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 -1.3170 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 -1.6693 2.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -3.5782 2.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -0.9617 2.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 1.1715 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 0.1127 1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 2.5171 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1641 2.9330 0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0187 3.5512 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5484 4.1998 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8826 3.0031 2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7039 4.0480 3.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 0.9505 3.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0037 2.0484 4.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 1.0510 5.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 1.7739 3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8254 4.0659 4.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2658 3.1349 6.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 3.1478 5.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 5.2468 -4.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6979 4.3320 -5.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 6.0953 -5.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4439 8.2924 -3.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 7.5448 -4.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 7.9021 -3.8692 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 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 8 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 61 6 2 0 49 43 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 20 90 1 0 20 91 1 0 21 92 1 6 22 93 1 0 22 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 31 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 33107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 6 46119 1 0 46120 1 0 47121 1 1 48122 1 0 49123 1 1 50124 1 0 51125 1 0 52126 1 6 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 60139 1 0 60140 1 0 60141 1 0 62142 1 0 62143 1 0 62144 1 0 M CHG 2 26 -1 30 1 M END