HMDB0011409 RDKit 3D PE(P-18:1(11Z)/18:2(9Z,12Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -12.9720 0.7949 -2.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7794 1.7072 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0482 1.4620 -0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9319 1.6712 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1484 1.4072 1.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9851 2.3089 1.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7571 1.8492 1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 0.4056 1.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4897 0.2346 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2609 -0.2080 0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 -0.6016 1.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 0.0929 2.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3643 1.5779 2.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6653 2.3710 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7513 2.3216 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4347 2.9497 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 2.5444 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0472 1.1294 0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1054 0.4434 1.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 0.5102 -0.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2392 -0.8120 -0.3916 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2095 -0.9833 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 -0.5054 0.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 -1.1003 1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9444 -1.9982 1.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 -2.4010 0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3276 -2.1377 1.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 -0.7527 1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5845 0.3857 1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 0.6040 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5588 -0.1491 -1.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 -1.5640 -1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2191 -2.0399 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3223 -1.5507 -1.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3748 -0.8902 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7321 -0.4478 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0522 1.0109 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0129 1.9899 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4807 3.4538 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6113 3.6852 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0323 5.1527 -1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 -1.6244 -1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 -1.7419 -0.9182 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2893 -2.6838 -1.9984 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1702 -2.0961 -3.3819 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9222 -2.6553 -1.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7102 -4.2732 -2.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 -4.8263 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 -6.2535 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0248 -7.0929 -1.6414 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6449 -0.2558 -2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7675 1.0197 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3902 1.0338 -3.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0613 2.7706 -2.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0589 1.4934 -3.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1563 2.0961 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7022 0.4024 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7916 0.9758 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3310 2.7039 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9867 0.3655 1.7263 H 0 0 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21 82 1 1 22 83 1 0 22 84 1 0 24 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 46120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 M END