HMDB0113763 RDKit 3D PE-NMe(11D3/9D5) 138139 0 0 0 0 0 0 0 0999 V2000 2.3144 -3.2053 3.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4069 -3.2521 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7612 -1.8801 2.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 -1.2577 1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 0.0876 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 0.8112 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 1.7703 0.9672 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 2.1906 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8422 3.2427 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4814 4.5987 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 5.0031 -1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 4.5488 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4596 5.1133 -3.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8096 4.5977 -3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1547 5.1515 -5.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2832 4.8582 -6.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 3.4753 -6.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 3.3035 -8.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 2.3333 -6.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 1.0902 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