HMDB0061569 RDKit 3D PS(DiMe(11,5)/MonoMe(9,5)) 141142 0 0 0 0 0 0 0 0999 V2000 17.0607 6.4478 -1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2027 5.4386 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0016 6.1068 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1515 5.1261 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6884 4.0402 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7964 3.0618 0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1233 1.9354 1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9246 1.3747 1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7398 0.1353 2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9339 2.2175 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4486 2.0697 1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9517 1.0049 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 0.8248 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7674 2.1224 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 2.0134 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 0.9757 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1944 0.9212 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 0.5689 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 -0.8118 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 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