HMDB0061613 RDKit 3D PS(MonoMe(11,5)/MonoMe(13,5)) 150151 0 0 0 0 0 0 0 0999 V2000 -16.0633 0.8334 -3.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4523 -0.3701 -2.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9901 -0.0488 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9225 1.1880 -1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5139 1.5748 -0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8430 0.5086 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9090 0.4478 1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1902 -0.6395 1.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9592 -1.1414 3.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6951 -1.2213 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8584 -2.4414 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4888 -2.2110 1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5082 -1.4673 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8640 -0.1231 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6888 0.5005 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 0.7569 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9431 1.7268 0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9595 2.1623 1.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6988 2.8088 1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 3.9590 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8945 4.7020 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 3.8608 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 2.9170 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 3.2722 0.9609 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 1.6744 -0.6175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 0.9108 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 0.3449 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 -0.2993 0.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 0.4894 1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 1.7403 1.7276 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2517 -0.0048 3.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4476 0.8857 3.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 0.8266 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 -0.5940 2.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 -0.9192 1.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 -0.6847 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 -1.0373 -1.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 -0.2192 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4051 -0.7538 -2.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -0.0561 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