HMDB0114260 RDKit 3D PE-NMe2(20:2(11Z,14Z)/22:1(13Z)) 151150 0 0 0 0 0 0 0 0999 V2000 -1.6353 5.1141 -6.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7079 3.7114 -5.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 3.6022 -4.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5425 4.3948 -3.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 4.2737 -2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5365 4.7820 -2.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 4.1091 -1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 2.6465 -1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3846 1.9768 -2.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3804 1.2200 -2.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7375 0.9444 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 -0.5621 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9683 -0.7913 0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8430 -2.2169 1.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4355 -2.7643 1.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4426 -1.9504 2.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7398 -1.9157 3.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 -3.1104 4.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6165 -3.9362 4.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8768 -4.6725 3.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0644 -4.6644 2.4142 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8137 -5.5078 4.1011 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9623 -6.2921 3.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -5.6615 2.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 -6.7864 1.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 -6.2628 1.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 -7.4198 0.5656 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5684 -8.2896 1.6591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 -8.4138 -0.5054 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 -6.6384 -0.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7267 -5.5714 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7752 -4.8084 -0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 -3.7054 0.5137 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 -2.7252 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2855 -3.0192 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5464 -4.9447 1.4609 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2134 -3.5791 1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5888 -3.1158 2.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8123 -2.8149 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 -1.3866 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8692 -0.4936 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 0.9694 0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9831 1.8692 1.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 3.3034 1.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5131 3.8871 1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 3.7636 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 4.4787 2.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 4.2211 1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4974 2.9634 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 1.6958 1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 0.8352 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3387 1.0928 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0347 1.0130 -2.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 1.9383 -2.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 1.7429 -4.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 2.5787 -4.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 2.5613 -6.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3414 1.2855 -6.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4633 0.2916 -6.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5643 5.3610 -6.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 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