HMDB0113584 RDKit 3D PE-NMe(22:2(13Z,16Z)/22:1(13Z)) 154153 0 0 0 0 0 0 0 0999 V2000 -3.3843 -3.2382 -7.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -1.8705 -8.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 -0.9832 -7.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 0.3473 -7.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1657 1.2919 -6.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2102 1.5600 -5.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 1.3006 -4.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 0.7076 -4.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5832 -0.5443 -3.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6172 -1.3708 -3.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2182 -1.2571 -3.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 -2.4457 -4.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 -2.2377 -4.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3983 -2.2378 -3.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -2.0297 -3.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3107 -0.7069 -4.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6193 -0.3805 -5.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 -0.3638 -4.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4101 -1.5940 -3.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 -1.4787 -3.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0178 -0.6101 -1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 0.8307 -2.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 1.5070 -3.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0298 1.5238 -0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9614 2.9088 -0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0951 3.5469 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 5.0506 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 5.3562 -0.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 7.0164 -0.5703 P 0 0 0 0 0 5 0 0 0 0 0 0 6.0162 7.6277 -0.3829 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 7.3079 -2.1901 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 7.7375 0.4975 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 8.6576 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 9.2622 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 9.9483 1.9101 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 9.0822 2.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1454 3.0551 1.4289 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 2.5799 2.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8319 2.6515 2.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 2.0043 3.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 1.5193 3.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5622 0.8689 4.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 1.7734 5.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 1.1028 6.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.6618 5.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.7789 5.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 1.4394 5.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 0.8576 3.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2511 -0.4022 3.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 -0.0979 2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -1.0365 2.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -2.3100 1.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 -3.1899 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6558 -4.2393 3.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -5.1207 3.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 -6.1760 4.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 -7.0961 5.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 -6.5617 5.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3879 -5.9381 7.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5012 -4.7363 7.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 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1 0 59150 1 0 59151 1 0 60152 1 0 60153 1 0 60154 1 0 M END