HMDB0114154 RDKit 3D PE-NMe2(18:4(6Z,9Z,12Z,15Z)/15:0) 122121 0 0 0 0 0 0 0 0999 V2000 2.7237 -4.8279 5.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7582 -3.7502 5.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3628 -4.1033 5.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 -3.3639 4.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 -2.0984 3.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2232 -2.3060 2.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 -2.1862 1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -1.8336 1.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9826 -2.9675 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 -2.9203 0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -1.6614 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6939 -1.2792 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 -1.1133 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 -1.2992 -2.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 -0.0969 -3.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7211 1.1322 -2.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 1.0853 -2.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 2.4579 -2.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 3.4934 -2.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 2.6001 -2.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7618 3.8430 -1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 3.5812 -1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 2.8680 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 2.9023 0.6013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0177 2.1977 2.1254 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1435 1.2176 2.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3023 3.4686 3.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 1.3792 2.5268 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 2.1370 3.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 1.3456 3.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 2.0392 4.5944 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 1.2206 4.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 3.3373 4.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4683 2.8764 -2.0611 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 3.2631 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 4.3253 -1.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5972 2.4583 -3.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0799 2.9416 -3.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8113 2.0621 -4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2228 2.2142 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3023 1.9863 -3.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5877 2.6235 -2.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 2.6328 -0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5472 1.3808 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6948 0.4006 -0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4848 -0.8604 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6142 -1.8811 -0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 -1.4065 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4885 -2.5573 -1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1868 -3.0014 -2.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4299 -5.1554 5.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 -5.7180 4.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3407 -4.4543 4.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9307 -3.7105 6.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 -2.7837 5.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -5.0297 5.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4506 -3.7635 4.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 -1.3742 4.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 -1.7243 4.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 -2.5803 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 -2.3520 0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -0.8435 1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3141 -1.7766 2.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 -3.9302 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 -3.8629 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 -0.8051 0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 -1.8023 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 -1.1268 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 -0.8344 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0933 -2.0195 -2.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3632 -1.8776 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 0.1446 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 -0.4336 -4.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0851 1.6166 -1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 1.9040 -3.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 0.7411 -3.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8649 0.4551 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7487 4.5274 -2.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 4.3743 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1306 4.5467 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.4959 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8894 1.8712 0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9981 3.2629 3.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.1570 3.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6091 2.1968 4.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1777 0.3763 4.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 1.1114 2.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 0.4530 4.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4308 1.8590 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4731 0.7395 5.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3404 4.1663 4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 3.3849 4.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4687 3.4568 2.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 2.6741 -4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 1.3943 -2.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2973 2.8250 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1255 4.0138 -3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5379 0.9908 -3.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2067 2.1155 -5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4522 1.5829 -5.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3728 3.2965 -4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4486 0.8356 -3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3006 2.2107 -4.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7346 2.4409 -1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7247 3.7697 -2.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9763 3.3645 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5571 3.2596 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4789 0.9161 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9835 1.6833 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9116 0.1263 -1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6493 0.8496 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9553 -0.5952 0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4720 -1.2815 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0857 -2.3310 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4847 -2.7070 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2251 -0.5467 -1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6902 -1.1532 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 -2.3056 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4904 -3.4475 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 -3.3257 -3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 -3.8582 -2.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 -2.1605 -3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 27 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 32 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 33 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 50122 1 0 M END