HMDB0113072 RDKit 3D PE-NMe(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 126125 0 0 0 0 0 0 0 0999 V2000 0.0913 2.2533 7.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1855 1.7017 6.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 1.1149 6.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9143 0.5715 4.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 -0.5500 4.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4768 -0.9591 3.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.8994 2.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5975 -0.3905 2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 0.7686 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 0.7884 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 -0.2858 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 0.3078 -0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3074 0.3321 -1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 -0.2513 -2.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 0.7756 -3.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 1.2222 -4.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4361 0.7172 -4.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 -0.0048 -5.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 -0.4681 -5.2944 C 0 0 0 0 0 0 0 0 0 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24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 47118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M END