HMDB0114473 RDKit 3D PE-NMe2(22:2(13Z,16Z)/18:1(9Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -17.4544 3.2771 -3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1315 3.9813 -3.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0390 3.0362 -3.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0191 1.7674 -2.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7880 1.9414 -1.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4703 2.5780 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5118 2.0074 -0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5955 0.6859 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4178 0.7772 1.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4634 0.1770 2.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4400 -0.6615 1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0371 -0.0583 1.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8493 -0.0645 3.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6118 0.4322 3.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3453 -0.2612 3.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7315 -0.3320 2.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4121 -1.1472 2.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4904 -0.5224 3.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 -1.3037 3.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 -2.7401 3.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 -3.5036 3.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 -3.4660 2.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 -4.4854 1.8861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3927 -2.4982 2.2887 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 -1.6600 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 -1.2561 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.5240 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 -2.1980 -1.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 -3.5175 -2.8191 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1079 -3.2207 -3.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 -3.6711 -4.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 -4.9397 -1.9568 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1379 -5.3341 -1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 -6.6480 -0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -7.6109 -1.7106 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 -8.8220 -0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 -8.0221 -2.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 -0.2544 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 0.8785 -0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4339 0.9865 -1.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 1.9585 -1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 1.8987 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 2.9473 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5511 2.9324 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4156 1.7185 -1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3788 1.5235 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2806 0.3460 -0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2060 0.0996 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4991 0.2154 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2242 0.5961 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0198 1.8889 -0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0331 1.7212 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7689 3.0077 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5021 3.5008 -0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2293 4.8052 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9380 5.2337 -1.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6939 6.5336 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4041 2.4215 -4.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8458 2.8458 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2309 3.9748 -3.8810 H 0 0 0 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1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 0 27100 1 0 27101 1 0 31102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 36107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 37112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 57145 1 0 M END