HMDB0011440 RDKit 3D PE(P-18:1(9Z)/18:1(11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -1.8959 -2.8027 9.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 -2.4347 8.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5809 -3.5892 7.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -3.7267 6.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -2.8677 5.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 -1.5211 5.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 -0.4063 5.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3038 0.7447 5.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 1.0701 3.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9653 1.4265 3.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.3390 3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 -0.9376 2.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5226 -2.0181 2.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8861 -1.7898 2.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8619 -1.7714 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 -1.5797 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8545 -0.2218 0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1534 0.8404 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8664 1.4793 -1.0795 O 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -0.9576 -1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6682 3.3938 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5982 4.0864 0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 5.3458 1.5335 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6482 6.5954 1.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 4.8659 3.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 5.6902 0.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 5.3662 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 5.6511 0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 4.8423 -0.3179 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -3.5848 9.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7086 -3.1846 8.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -1.8786 9.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 -1.5407 7.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 -2.1793 8.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4247 -4.4950 7.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6263 -3.8810 6.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4533 -3.7976 6.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 -4.8394 5.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 -3.4898 4.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 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0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 6 22 85 1 0 22 86 1 0 24 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 46122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 M END