HMDB0284849 RDKit 3D PE(PGD1/DiMe(11,5)) 143144 0 0 0 0 0 0 0 0999 V2000 15.9665 -3.6891 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4618 -2.2820 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5691 -1.4581 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1640 -0.0998 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4998 0.9113 -1.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0824 1.0925 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6067 2.0155 0.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2891 1.8801 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5505 2.8345 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8549 3.9438 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7386 3.6579 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5412 3.0206 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 2.7322 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 2.0958 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 2.9738 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5277 2.3947 1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4235 2.1638 0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 1.6042 1.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 1.4165 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 1.6376 -0.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 0.9769 0.8653 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 0.7962 -0.1272 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2357 1.7838 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2028 1.6087 -0.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3525 2.3618 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5915 3.2743 -0.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2866 2.0763 -2.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0848 0.6497 -2.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3655 -0.3564 -1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8255 -0.2431 -1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1721 -1.2483 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6077 -1.0775 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5090 -1.3012 -0.7403 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3797 -2.6878 -1.3286 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5010 -3.6982 -0.4051 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6374 -2.7518 -2.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6294 -1.8896 -1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7597 -1.7441 -1.9177 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9951 -1.3108 -0.3340 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.4135 0.0261 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3406 0.7542 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6920 2.1395 0.0532 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.2913 3.0436 -0.9226 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2068 2.1923 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6413 1.1239 1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1278 1.0490 1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3647 -0.0936 2.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8265 -0.2792 2.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5514 -0.6274 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 -1.5052 -0.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 -3.1021 -0.4194 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0497 -3.2203 -1.5347 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 -3.4476 1.0327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 -4.1840 -0.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1243 -5.4802 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -6.3931 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1676 -5.9341 0.4614 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8663 0.7906 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5223 0.1802 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0213 0.2913 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9946 -0.9021 -1.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3183 -4.0636 1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4703 -4.3563 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8686 -3.7965 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4927 -2.2798 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4381 -1.7870 1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5747 -1.4706 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5342 -2.0005 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2485 -0.2305 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1663 0.2714 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5522 0.5399 -2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0562 1.8663 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2469 3.3051 1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8678 2.2195 1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6371 4.4954 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5861 4.6954 1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3490 4.6557 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 3.1427 -1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1107 3.7465 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8611 2.0916 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7779 1.9711 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0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 6 34109 1 6 35110 1 0 36111 1 0 36112 1 0 39113 1 1 40114 1 0 41115 1 0 42116 1 1 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 53131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 59138 1 0 59139 1 0 59140 1 0 61141 1 0 61142 1 0 61143 1 0 M END