HMDB0113172 RDKit 3D PE-NMe(18:2(9Z,12Z)/18:2(9Z,12Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -5.4886 -2.8531 -1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3304 -3.8114 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6799 -3.4547 -2.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -2.0258 -2.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 -1.6408 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.4788 -4.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2226 -2.0404 -4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1507 -0.6119 -4.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -0.0878 -5.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6483 0.4059 -6.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 0.5774 -5.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2091 2.0598 -5.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 2.8925 -4.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 2.5561 -3.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 2.8135 -2.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9051 4.2499 -2.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 5.2107 -2.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0846 5.0263 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 4.2938 -0.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 5.5872 0.3086 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 5.5595 1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 4.3638 2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 3.3351 2.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 2.4090 1.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2284 1.3288 1.9861 P 0 0 0 0 0 5 0 0 0 0 0 0 5.5009 2.0915 2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 0.3014 0.7009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 0.5071 3.3802 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 -0.3791 3.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 -1.0978 4.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9081 -0.1448 5.4186 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 0.4903 5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 3.7598 2.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4099 3.6860 3.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 4.1744 4.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 3.0310 2.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5694 2.9535 4.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8736 2.2849 3.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6658 0.8913 3.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0177 0.2545 2.9976 C 0 0 0 0 0 0 0 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15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END