HMDB0113835 RDKit 3D PE-NMe(9M5/9D5) 135136 0 0 0 0 0 0 0 0999 V2000 4.3373 1.3570 -7.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 0.4217 -6.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 0.1661 -4.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6185 -0.7690 -3.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 -0.9128 -2.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 -1.7923 -1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2681 -3.1549 -1.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6309 -3.6040 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -5.0038 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0126 -2.4903 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 -2.3964 1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 -3.0517 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 -2.8598 2.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2401 -3.5662 2.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0101 -3.4028 3.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 -1.9479 3.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0551 -1.6626 5.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -0.2037 5.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3589 0.7384 5.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 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