HMDB0113065 RDKit 3D PE-NMe(16:1(9Z)/18:2(9Z,12Z)) 124123 0 0 0 0 0 0 0 0999 V2000 2.2854 -3.7866 4.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 -4.9488 3.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -4.5742 1.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9619 -3.3847 1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 -2.9969 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7453 -4.1465 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9013 -4.0617 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7354 -2.8517 -1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8881 -2.5295 -2.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 -1.4214 -3.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8309 -0.3310 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4405 -0.0405 -2.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4832 0.3534 -4.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 0.6417 -4.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.5428 -4.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.1258 -5.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1407 -1.2692 -5.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4533 -0.8534 -6.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -0.8337 -7.2656 O 0 0 0 0 0 0 0 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2.8611 6.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7868 1.4016 -4.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 2.0788 -5.8526 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8072 3.7174 -5.5893 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1965 4.2223 -5.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3983 4.4256 -7.0992 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6578 4.2235 -4.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 3.5376 -3.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5319 4.0656 -2.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7432 5.4494 -2.0386 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 5.6864 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 -3.2897 4.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 -3.0294 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 -4.1075 4.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 -5.7950 3.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 -5.2882 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 -4.2777 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 -5.4870 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 -2.5481 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -3.6528 2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -2.8312 -0.1225 H 0 0 0 0 0 0 0 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30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 45116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END