HMDB0113820 RDKit 3D PE-NMe(9D5/11D5) 144145 0 0 0 0 0 0 0 0999 V2000 -2.3234 2.3849 -4.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 3.8569 -4.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5384 4.5517 -3.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3728 5.9955 -3.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0242 6.5489 -3.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 5.9978 -1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 6.1682 -0.5992 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2239 5.5288 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 5.5167 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5764 4.3305 2.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 2.9957 2.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3066 2.8042 2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 2.9979 4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 2.0264 4.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 0.5769 4.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8837 -0.2490 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 -1.7142 5.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0487 -2.3685 3.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6549 -2.1959 2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 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