HMDB0113345 RDKit 3D PE-NMe(20:2(11Z,14Z)/18:2(9Z,12Z)) 134133 0 0 0 0 0 0 0 0999 V2000 0.7967 4.0691 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 3.0582 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0997 3.7373 2.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 2.8444 4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7743 1.7971 4.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 1.0241 5.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0924 -0.2465 5.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -1.1199 4.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 -2.1471 4.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 -3.4199 4.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1887 -4.0613 4.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -5.0434 3.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 -4.3871 1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 -5.4944 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8487 -4.8135 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 -5.8593 -1.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3256 -5.1802 -2.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 -4.4768 -2.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8281 -5.3077 -2.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9877 -4.3542 -2.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1509 -4.7793 -2.2697 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7343 -3.0167 -2.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6703 -1.9750 -2.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8743 -0.6429 -2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3669 -0.2614 -3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7521 0.9777 -3.2901 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 1.3206 -4.8607 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3631 1.8422 -5.7299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7059 -0.1249 -5.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9266 2.3914 -4.8794 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6287 2.6307 -6.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 3.5901 -6.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7427 4.8778 -5.7365 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 5.7027 -5.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 -0.7476 -0.9839 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 -0.0927 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 0.6797 0.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 -0.3438 1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 -1.0214 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 -0.2059 -0.5307 C 0 0 0 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0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END