HMDB0113227 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/18:1(11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -6.7598 -7.4842 -5.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2753 -7.5333 -4.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0552 -7.1820 -3.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5103 -8.0172 -2.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 -9.3389 -2.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 -9.8096 -2.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 -9.2238 -2.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4799 -7.8041 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 -7.2521 -2.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 -6.2607 -3.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -5.4673 -3.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 -4.0114 -3.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3359 -3.4463 -4.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0266 -2.0118 -4.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.0940 -4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7977 0.2727 -3.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9059 1.3160 -3.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 2.6049 -3.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 3.5096 -2.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 2.8024 -3.3346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 3.9636 -2.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 4.0506 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 5.2728 -0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5156 5.2931 -1.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 6.7275 -0.5254 P 0 0 0 0 0 5 0 0 0 0 0 0 4.7077 6.5978 -0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 7.9944 -1.5113 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 7.0438 1.0803 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 6.0393 1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 6.1743 3.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 7.4298 3.8021 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8961 8.5296 3.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9859 2.8396 -0.7617 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 1.9327 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 2.2858 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 0.6574 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 -0.2047 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 0.3532 2.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 -0.5715 2.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1398 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0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 27 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 46115 1 0 47116 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