HMDB0113066 RDKit 3D PE-NMe(16:1(9Z)/18:3(6Z,9Z,12Z)) 122121 0 0 0 0 0 0 0 0999 V2000 4.1379 -3.5129 5.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 -4.0198 4.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1039 -4.1245 3.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 -4.6273 2.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 -4.7865 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 -3.5031 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 -2.9376 -0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 -3.5563 -1.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -3.8054 -2.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6755 -3.3207 -3.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5204 -2.4542 -4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 -1.1640 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -0.0109 -4.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 0.2580 -3.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 1.0421 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 1.3921 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9281 2.1925 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 2.6094 1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 3.5353 1.9563 O 0 0 0 0 0 0 0 0 0 0 0 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