HMDB0114593 RDKit 3D PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) 137136 0 0 0 0 0 0 0 0999 V2000 3.9545 0.6344 2.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5117 0.2431 2.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 1.2577 2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 1.9441 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 1.6697 0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 1.1033 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 1.6090 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 2.8547 -1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 2.7014 -2.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 3.3739 -3.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 4.3557 -3.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0239 4.3328 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 4.0660 -3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5443 3.6771 -2.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4411 2.5263 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1284 1.2985 -2.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6972 1.0256 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 0.0417 -2.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7784 -1.1181 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0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M END