HMDB0260871 RDKit 3D PE(PGE1/15:0) 127127 0 0 0 0 0 0 0 0999 V2000 12.3629 5.0775 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3453 3.5994 1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1738 3.4188 2.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1290 1.9867 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9657 1.0636 1.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6898 1.3388 1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5826 0.3671 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5531 -1.0603 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4354 -2.0151 -0.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1723 -1.7425 -1.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9252 -1.8856 -0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 -1.6108 -1.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 -0.2299 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4688 0.1080 -3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 0.0496 -2.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 0.3188 -2.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -0.2917 -0.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8014 -0.3130 -0.3251 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7194 0.4185 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 0.3620 1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 0.9273 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 1.5231 -0.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 0.8390 1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0671 1.3587 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0456 0.5353 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 0.9304 -2.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3704 0.9048 -2.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1163 1.7059 -1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 1.6318 -1.3130 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9554 2.1178 -2.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6225 3.1759 -3.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7660 1.0838 -3.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3805 0.3074 -2.1900 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7923 -0.9396 -2.5947 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1935 0.2679 -1.2279 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.6715 -0.0673 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9313 -0.4166 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4261 -0.7466 1.7247 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3546 -1.3039 2.4738 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9915 0.3417 2.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1697 1.0774 2.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0560 1.8329 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9829 2.9016 0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3010 3.9083 1.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 -1.7970 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5848 -2.2372 0.8744 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3646 -3.8645 1.2750 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4824 -4.3715 2.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8982 -4.1332 2.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -4.7703 -0.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -6.1058 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -6.7748 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8633 -8.1632 -1.1731 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9351 5.2127 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 5.6106 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2957 5.3653 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2964 3.2716 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1224 2.9889 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2549 3.7375 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3192 4.0371 3.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2806 1.8607 3.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0753 1.6912 3.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8205 1.0476 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9395 0.0221 2.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7022 2.3796 0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8069 1.2979 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4305 0.6031 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6028 0.6277 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 -1.2317 0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5336 -1.3036 0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 -1.8702 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -3.0343 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 -0.7345 -2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1749 -2.4530 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9332 -1.2635 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8655 -2.9482 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6403 -2.3525 -2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8217 -1.8549 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5472 -0.1950 -2.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8721 0.4958 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 -0.5296 -3.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6069 1.1466 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -0.0517 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 1.4537 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3392 -0.1201 1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 -0.1415 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1764 1.5763 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 1.4444 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 2.4277 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -0.5368 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 0.4181 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 0.3032 -3.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6221 1.9731 -2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7364 1.0878 -3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6827 -0.1815 -1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8093 2.7552 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0467 1.2582 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1319 2.3189 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1212 0.3507 -3.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5624 1.4991 -3.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1939 0.9416 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6308 -0.8372 -3.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5216 -0.4989 -1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9573 -0.0179 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5870 -0.4708 -0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1725 -1.5774 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1591 -0.7881 3.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1476 1.0043 2.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3072 -0.1381 3.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9881 0.3038 1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6199 1.7139 2.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0157 1.2834 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0267 2.4402 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9711 2.4981 0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0475 3.4525 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6905 3.7508 2.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3900 3.8317 2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1537 4.9544 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 -1.9296 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 -2.4349 -0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 -4.7311 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -6.2283 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 -6.6221 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4886 -6.2549 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 -6.6944 -1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -8.7415 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -8.3086 -0.2675 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 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 18 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 35 29 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 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 18 83 1 6 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 1 32 99 1 0 32100 1 0 33101 1 1 34102 1 0 35103 1 6 36104 1 0 37105 1 0 38106 1 6 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 49121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 M END