HMDB0113806 RDKit 3D PE-NMe(13M5/13M5) 156157 0 0 0 0 0 0 0 0999 V2000 4.5291 3.4656 3.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 3.5620 4.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8229 2.6234 3.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3495 1.2028 3.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 0.7551 5.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4706 -0.6785 4.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2703 -1.7959 5.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 -2.8857 4.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8974 -4.2951 4.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 -2.3880 4.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 -3.1796 4.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9638 -3.6261 2.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 -4.3843 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -4.8552 1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2295 -5.5543 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1921 -6.0985 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3164 -5.0781 -1.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 -3.9608 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4165 -2.9921 -2.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2762 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