HMDB0299120 RDKit 3D DG(PGE1/0:0/i-15:0) 114114 0 0 0 0 0 0 0 0999 V2000 13.7516 -1.1788 4.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2975 -1.2764 4.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8148 -0.1549 3.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5427 -0.1437 1.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -1.4261 1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8921 -1.6868 0.8683 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8877 -2.9092 0.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 -0.6434 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7578 -0.8893 -1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2142 0.1714 -2.0704 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8490 0.0027 -3.4239 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6877 1.0981 -3.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7552 0.0234 -4.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5159 0.2855 -3.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 0.7068 -4.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 -0.0368 -2.2864 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9951 0.7997 -1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4721 0.7018 -1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 -0.6728 -1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5317 -0.8557 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 -0.2513 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 1.2016 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.4364 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0157 2.5935 1.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 0.3898 0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6589 0.3978 1.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 1.1755 1.2265 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4622 2.4993 1.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 0.5424 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2795 1.2618 -0.6455 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5256 1.4789 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7161 0.9468 1.0451 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5568 2.2804 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7977 2.3941 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4813 1.1018 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9110 0.3630 -1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8342 1.1716 -1.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0708 1.6079 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8832 0.4595 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3390 -0.4745 -1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1700 -1.6060 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4679 -1.4392 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7661 -0.7857 0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2287 -1.3045 1.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7793 -0.3604 2.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7677 -1.3442 2.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4222 -1.5757 3.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0552 -0.1382 4.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9285 -1.7947 5.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1377 -2.2663 3.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7263 -1.3241 5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0601 0.8015 3.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 -0.2198 3.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1537 0.6828 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6158 0.0214 2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 -1.2997 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7535 -2.3140 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2793 -1.8678 1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5048 -2.7589 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4241 0.3967 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6738 -1.9210 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4309 1.1623 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4389 -0.9506 -3.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4780 1.8368 -3.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9393 0.7857 -5.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6223 -0.9905 -4.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4828 -1.1037 -2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2423 0.4559 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 1.8850 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1129 1.0916 -2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1023 1.4226 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -1.0514 -0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4944 -1.3450 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 -1.9916 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2303 -0.6289 -2.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 -0.6863 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 -0.7079 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 1.6670 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2947 1.8294 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 0.7622 2.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0111 -0.6772 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6623 1.1148 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7906 2.8552 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5493 -0.5153 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3613 0.4930 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1735 3.3100 -1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7378 1.7403 -1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4989 3.1720 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5103 2.7991 1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4037 1.2434 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8543 0.4198 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0037 0.0287 -1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4113 -0.5676 -0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3158 2.0699 -2.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0871 0.5186 -2.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6822 2.3014 -1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7886 2.2080 -0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1946 -0.1389 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6759 0.8171 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7702 0.0733 -2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3727 -0.8932 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3754 -2.2274 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4928 -2.3592 -0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9076 -2.5136 -0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2127 -1.0512 -1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9293 -0.9511 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7605 0.3331 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7190 -2.3004 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7822 -0.6602 3.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1146 -0.3828 3.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7837 0.6927 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6237 -1.6465 3.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3472 -0.3196 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2359 -2.1033 1.5376 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 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 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 16 10 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 1 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 1 11 63 1 1 12 64 1 0 13 65 1 0 13 66 1 0 16 67 1 6 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 26 80 1 0 26 81 1 0 27 82 1 1 28 83 1 0 29 84 1 0 29 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END