HMDB0061590 RDKit 3D PS(DiMe(9,5)/DiMe(13,5)) 150151 0 0 0 0 0 0 0 0999 V2000 15.3586 -2.1137 -2.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7192 -3.3929 -2.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2627 -3.5160 -2.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6430 -2.7287 -3.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4360 -1.2777 -3.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3773 -0.7996 -2.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1369 -0.4914 -3.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3622 -0.1023 -2.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 0.3053 -2.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9085 -0.6992 -1.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9849 -1.2696 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8751 -2.2714 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5272 -1.5927 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -2.5496 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 -3.1423 1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 -2.1354 2.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -1.3297 2.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 -0.2770 3.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7943 0.8029 3.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 1.8705 2.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1497 1.4449 1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 1.0567 0.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8134 1.4943 1.7647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3088 1.2056 1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 0.0076 1.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4532 0.0937 1.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 0.9615 1.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 1.5300 2.8445 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 1.2755 1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4319 0.5540 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8559 1.1304 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4877 0.9464 1.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9180 1.5048 1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5753 1.3512 3.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7571 -0.0219 3.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6830 -0.9317 2.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4086 -1.2229 1.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0657 -0.7838 0.5186 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5717 -1.2311 -0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1711 -0.8641 -1.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1546 -1.8437 -2.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7035 -3.2194 -2.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7154 -3.3155 -3.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2969 -4.7710 -4.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4987 -2.0341 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5708 -2.7415 -1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4110 -2.0177 1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3837 -2.7766 1.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 2.3215 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 3.0942 -0.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 4.2918 -0.9061 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8160 4.0919 -2.3806 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 4.1269 -0.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 5.8038 -0.6651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 6.6838 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 8.0642 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 8.4027 -1.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 9.0163 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1857 8.9152 1.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 10.0143 -0.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1048 -0.1423 -0.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 0.2234 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 -0.5910 -1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 -0.6992 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8234 -1.3034 -1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8576 -1.7717 -3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2948 -2.2519 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9958 -4.0978 -1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2217 -3.9313 -3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7142 -3.4987 -1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0939 -4.6237 -2.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2454 -2.9737 -4.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6375 -3.2163 -3.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1362 -0.9219 -4.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3937 -0.7153 -3.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 1.1907 -1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7867 0.7735 -3.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9119 -0.1695 -2.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9067 -1.4808 -2.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9210 -1.8481 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 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