HMDB0113185 RDKit 3D PE-NMe(18:2(9Z,12Z)/22:1(13Z)) 142141 0 0 0 0 0 0 0 0999 V2000 -12.7288 2.6793 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5654 2.9433 0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9416 1.5848 1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7661 1.6407 2.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2556 0.2189 2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1234 0.1029 3.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9599 -0.3365 2.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6554 -0.7578 1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2893 -2.1866 1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 -2.5439 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 -1.7240 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5532 -1.9895 -0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1613 -3.4052 -1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6839 -3.8290 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 -3.3198 -3.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2201 -1.9218 -3.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1607 -1.2795 -4.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 0.1315 -4.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 0.8603 -5.4786 O 0 0 0 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0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 22 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 23 91 1 0 23 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 32101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 M END