HMDB0113556 RDKit 3D PE-NMe(22:1(13Z)/22:1(13Z)) 156155 0 0 0 0 0 0 0 0999 V2000 -2.3904 1.7122 -5.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0668 0.8134 -6.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 1.1987 -7.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 1.2326 -6.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 1.5929 -7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 1.6768 -6.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2849 0.3940 -6.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7104 0.4652 -5.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8689 1.4981 -4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 1.2767 -3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6998 -0.0348 -2.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0718 -0.6150 -1.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4224 -0.0651 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1601 1.3410 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6732 1.6025 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 2.9500 1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 3.4739 2.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 3.5891 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 4.4800 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 4.4406 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 5.2429 -1.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 5.0765 -2.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 5.7106 -3.5793 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 4.1556 -2.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4991 3.8164 -2.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 2.7230 -1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 3.1956 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7167 4.2038 0.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4831 4.6625 1.8553 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9969 4.9220 2.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3335 6.0536 2.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 3.3929 2.8811 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 2.9010 2.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 1.7819 3.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8496 0.6390 3.3136 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6218 0.9389 4.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 2.2145 -1.7574 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 0.8686 -2.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3513 0.1857 -2.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 0.3585 -2.3323 C 0 0 0 0 0 0 0 0 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