HMDB0011405 RDKit 3D PE(P-18:1(11Z)/16:1(9Z)) 122121 0 0 0 0 0 0 0 0999 V2000 14.3128 1.9937 -0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1012 3.4769 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2339 3.9151 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2338 3.2269 1.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8580 3.5616 1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7838 2.8935 2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8960 1.4379 2.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9310 0.6541 1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6134 1.0813 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 0.6457 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0866 1.0359 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 0.4114 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 0.7962 -0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 0.1666 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 -1.3441 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 -1.9136 -1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -1.7214 -2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 -1.4327 -1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 -1.2541 -0.5195 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 -2.1635 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2384 -2.7813 -0.1435 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9344 -3.7861 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0818 -4.5269 -1.5723 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5638 -5.6022 -2.7736 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1306 -6.0048 -2.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5372 -4.8448 -4.2824 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 -7.0218 -2.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -7.8454 -1.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6936 -9.1595 -1.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 -9.9318 -0.6365 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 -1.8123 -0.4174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4065 -1.7071 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -2.5785 1.1436 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -0.6417 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6326 -0.7387 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5399 -0.6221 2.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9712 0.6703 2.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7628 1.8381 2.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1819 1.7820 2.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9546 3.0047 2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3233 2.8627 2.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3600 2.7840 1.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2851 2.8265 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0760 4.0158 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5109 3.8851 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1666 2.6893 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3216 2.5395 -1.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1478 2.4969 -2.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2657 1.7196 -0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5183 1.3900 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2821 1.7922 -1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9219 3.9781 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1443 3.8302 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0940 5.0217 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2499 3.6780 1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3990 2.1302 1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3476 3.5701 2.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 4.6355 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6767 3.1821 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8326 3.2550 1.6222 H 0 0 0 0 0 0 0 0 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38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END