HMDB0297957 RDKit 3D DG(PGF2alpha/0:0/a-21:0) 132132 0 0 0 0 0 0 0 0999 V2000 -16.0743 0.6029 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4093 -0.5387 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1388 -1.2430 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2621 -0.3065 -1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0304 -0.9361 -1.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1015 -1.5184 -0.9764 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6543 -2.5349 -0.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6480 -0.3995 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1599 -0.6043 1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7075 0.4877 2.0414 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.3103 0.4268 3.4089 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6252 0.8851 3.4494 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3864 1.2725 4.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1018 1.4177 3.4186 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2399 2.6067 2.6669 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2040 0.2889 2.3776 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3757 0.5817 1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9313 0.3882 1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3382 -0.0588 2.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8868 -0.2412 2.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0916 0.0070 1.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 -0.9543 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 -0.5670 -1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 -1.4281 -1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4951 0.7224 -1.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 1.1968 -2.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 0.9936 -2.3786 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6596 1.5068 -3.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 1.4777 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 1.2190 -0.8008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 1.7880 -1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 2.6212 -2.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 1.4319 -1.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0235 0.3265 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -0.0442 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 -0.4951 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6003 -0.8924 -0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 -2.0282 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1185 -2.4002 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8159 -2.8177 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2586 -3.2116 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8759 -3.6083 -1.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8653 -2.5293 -2.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6517 -1.2743 -2.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0602 -1.6491 -2.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0570 -0.6435 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9473 0.1956 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8396 1.1756 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8368 1.9981 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6848 1.1169 1.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9930 2.9463 0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9534 3.7397 2.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0354 0.9602 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6221 1.4378 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4432 0.2887 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9679 -1.2955 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0031 -0.1676 -1.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6406 -1.7398 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4808 -2.0316 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8267 0.1521 -2.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9775 0.5949 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2670 -1.6841 -2.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4168 -0.1610 -2.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2087 -1.9427 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3933 -3.4423 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7302 0.6048 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0746 -1.6166 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7906 1.4860 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2746 -0.6384 3.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6285 1.7640 2.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1602 0.7810 5.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8727 2.2582 4.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2166 1.4007 4.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1279 3.0175 2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0422 -0.6916 2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5948 1.5978 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7077 -0.1405 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 0.6966 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9419 -0.3452 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4428 0.3895 3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7062 -1.2951 2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 -0.0629 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1983 1.0601 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9068 -1.9576 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3378 -1.1554 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 2.2885 -2.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 0.6805 -3.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -0.1249 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 1.7336 -4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 2.5561 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 0.9385 -0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 1.1021 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 2.3179 -0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5425 -0.6066 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 0.6228 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 0.7896 0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3812 -0.8660 0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2265 0.3666 -1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 -1.3066 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1157 0.0098 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 -1.2648 -1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 -1.8007 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 -2.9306 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1222 -3.2072 1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6465 -1.5448 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8495 -1.9333 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 -3.6342 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7754 -2.3993 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2853 -4.1153 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8973 -4.0277 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2357 -4.4415 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4272 -2.8521 -3.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8652 -2.1883 -3.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0657 -1.0261 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5285 -0.4853 -3.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4189 -2.1899 -3.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1052 -2.4604 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0620 -1.2233 -1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3222 0.0157 -2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9052 -0.4856 0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9131 0.7968 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0456 1.9223 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8492 0.7865 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9084 2.6072 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7203 0.5576 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5451 0.4349 2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5792 1.7584 2.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9326 2.3558 0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9606 3.6549 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1305 3.1064 2.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9670 4.2109 2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7076 4.5573 2.0042 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 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 16 10 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 6 11 69 1 1 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 1 15 74 1 0 16 75 1 1 17 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 1 28 89 1 0 29 90 1 0 29 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 50125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END