@MOLECULE methyl (9z,11z,13e,15e)-9,11,13,15-octadecatetraenoate 51 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0327 0.8723 0.9751 O.3 1 UNL1111111111 -0.4244 2 O -4.3396 0.7024 -1.1537 O.2 1 UNL1111111111 -0.5102 3 C 0.8133 1.4738 -0.7311 C.3 1 UNL1111111111 -0.2769 4 C 2.1311 2.0214 -0.1705 C.3 1 UNL1111111111 -0.2715 5 C -0.3620 1.8402 0.1832 C.3 1 UNL1111111111 -0.2627 6 C 3.3091 1.5546 -1.0341 C.3 1 UNL1111111111 -0.2649 7 C -1.6580 1.2279 -0.3583 C.3 1 UNL1111111111 -0.2614 8 C 4.6642 1.8879 -0.3881 C.3 1 UNL1111111111 -0.2808 9 C -2.8344 1.5390 0.5706 C.3 1 UNL1111111111 -0.3514 10 C 4.8139 1.2390 0.9516 C.2 1 UNL1111111111 -0.1289 11 C -4.1025 0.9960 -0.0115 C.2 1 UNL1111111111 0.6055 12 C 4.9599 -0.0758 1.1471 C.2 1 UNL1111111111 -0.1929 13 C 5.0141 -1.0729 0.0800 C.2 1 UNL1111111111 -0.1332 14 C -6.3046 0.3725 0.5793 C.3 1 UNL1111111111 -0.1673 15 C 3.9733 -1.8377 -0.2832 C.2 1 UNL1111111111 -0.1754 16 C 2.6553 -1.7307 0.3243 C.2 1 UNL1111111111 -0.1498 17 C 1.5414 -2.1802 -0.2794 C.2 1 UNL1111111111 -0.1573 18 C -2.2295 -2.4794 0.3716 C.3 1 UNL1111111111 -0.2684 19 C -0.8780 -2.5460 -0.2589 C.2 1 UNL1111111111 -0.1150 20 C 0.2262 -2.0623 0.3290 C.2 1 UNL1111111111 -0.2027 21 C -3.3363 -2.4124 -0.6809 C.3 1 UNL1111111111 -0.4419 22 H 0.6422 1.8610 -1.7517 H 1 UNL1111111111 0.1383 23 H 0.8801 0.3704 -0.8312 H 1 UNL1111111111 0.1494 24 H 2.2694 1.6728 0.8710 H 1 UNL1111111111 0.1399 25 H 2.1041 3.1242 -0.1220 H 1 UNL1111111111 0.1328 26 H -0.4560 2.9390 0.2588 H 1 UNL1111111111 0.1358 27 H -0.1674 1.4764 1.2096 H 1 UNL1111111111 0.1355 28 H 3.2407 0.4593 -1.1970 H 1 UNL1111111111 0.1526 29 H 3.2502 2.0149 -2.0370 H 1 UNL1111111111 0.1328 30 H -1.5412 0.1295 -0.4730 H 1 UNL1111111111 0.1576 31 H -1.8672 1.6056 -1.3794 H 1 UNL1111111111 0.1569 32 H 4.7753 2.9870 -0.3054 H 1 UNL1111111111 0.1392 33 H 5.4809 1.5559 -1.0633 H 1 UNL1111111111 0.1461 34 H -2.6578 1.1233 1.5852 H 1 UNL1111111111 0.1763 35 H -2.9402 2.6361 0.7172 H 1 UNL1111111111 0.1777 36 H 4.7891 1.9276 1.7959 H 1 UNL1111111111 0.1392 37 H 5.0551 -0.4928 2.1529 H 1 UNL1111111111 0.1549 38 H 5.9853 -1.1607 -0.4120 H 1 UNL1111111111 0.1513 39 H -6.8753 0.3763 1.5148 H 1 UNL1111111111 0.1449 40 H -6.2020 -0.6412 0.1776 H 1 UNL1111111111 0.1374 41 H -6.7564 1.0339 -0.1677 H 1 UNL1111111111 0.1402 42 H 4.0754 -2.5765 -1.0802 H 1 UNL1111111111 0.1502 43 H 2.6160 -1.2428 1.3005 H 1 UNL1111111111 0.1540 44 H -2.3121 -1.6137 1.0602 H 1 UNL1111111111 0.1436 45 H -2.3752 -3.3755 1.0147 H 1 UNL1111111111 0.1507 46 H 1.5819 -2.6580 -1.2595 H 1 UNL1111111111 0.1491 47 H -0.8425 -3.0380 -1.2304 H 1 UNL1111111111 0.1470 48 H 0.1845 -1.5647 1.2983 H 1 UNL1111111111 0.1507 49 H -3.2362 -1.5202 -1.3157 H 1 UNL1111111111 0.1629 50 H -4.3272 -2.3642 -0.2168 H 1 UNL1111111111 0.1402 51 H -3.3241 -3.2863 -1.3408 H 1 UNL1111111111 0.1441 @BOND 1 1 11 1 2 1 14 1 3 2 11 2 4 3 4 1 5 3 5 1 6 3 22 1 7 3 23 1 8 4 6 1 9 4 24 1 10 4 25 1 11 5 7 1 12 5 26 1 13 5 27 1 14 6 8 1 15 6 28 1 16 6 29 1 17 7 9 1 18 7 30 1 19 7 31 1 20 8 10 1 21 8 32 1 22 8 33 1 23 9 11 1 24 9 34 1 25 9 35 1 26 10 12 2 27 10 36 1 28 12 13 1 29 12 37 1 30 13 15 2 31 13 38 1 32 14 39 1 33 14 40 1 34 14 41 1 35 15 16 1 36 15 42 1 37 16 17 2 38 16 43 1 39 17 20 1 40 17 46 1 41 18 19 1 42 18 21 1 43 18 44 1 44 18 45 1 45 19 20 2 46 19 47 1 47 20 48 1 48 21 49 1 49 21 50 1 50 21 51 1