HMDB0112942 RDKit 3D PE-NMe(14:1(9Z)/14:1(9Z)) 108107 0 0 0 0 0 0 0 0999 V2000 12.9359 -3.7706 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2025 -3.7847 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6561 -3.8855 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 -2.6473 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5516 -1.4048 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6531 -0.6834 0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2857 -0.8830 1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.8461 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 -1.7649 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 -2.3762 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -1.3602 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 -0.4694 -1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6103 0.3641 0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 0.9315 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 0.1008 -0.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9475 2.0540 -1.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 2.2262 -1.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5036 2.4946 -0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 3.0194 0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 3.8438 1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 5.0545 2.0714 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9229 4.3420 2.6411 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 5.8103 3.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 6.0289 0.8026 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6149 7.1789 0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6299 7.9658 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 9.3072 -0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 10.0209 -0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5795 1.7979 -1.1043 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 0.6450 -0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 0.0956 0.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3179 -0.0094 -1.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7179 -1.0898 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0318 -0.3012 0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -0.9555 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0859 -1.0762 1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5224 -1.8140 0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0315 -1.3775 0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3936 -1.9094 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4768 -2.5061 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6636 -2.8673 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1708 -4.3016 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4737 -4.4995 0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0337 -5.8255 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4990 -4.4805 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0222 -2.7340 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9466 -4.1696 -0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4943 -4.5623 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4535 -2.8066 0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4603 -4.7515 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2580 -3.9587 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2624 -2.7393 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9182 -2.6353 -1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5497 -1.0480 0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1070 0.2384 1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0136 -1.0759 2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7514 0.1053 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2882 -1.7662 -0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7630 -2.9084 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7403 -0.7637 1.2446 H 0 0 0 0 0 0 0 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