@MOLECULE ethyl linolenate 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7673 0.1107 0.3650 O.3 1 UNL1111111111 -0.4451 2 O -4.5696 2.0156 -0.8031 O.2 1 UNL1111111111 -0.5146 3 C 0.7556 2.1958 -0.3864 C.3 1 UNL1111111111 -0.2683 4 C 2.1252 2.0522 0.2872 C.3 1 UNL1111111111 -0.2773 5 C -0.3639 1.7475 0.5617 C.3 1 UNL1111111111 -0.2699 6 C 3.2146 2.7380 -0.5467 C.3 1 UNL1111111111 -0.2585 7 C -1.7189 1.8007 -0.1525 C.3 1 UNL1111111111 -0.2536 8 C 4.6072 2.5182 0.0698 C.3 1 UNL1111111111 -0.2823 9 C -2.8473 1.3677 0.7900 C.3 1 UNL1111111111 -0.3537 10 C 5.0809 1.1281 -0.2083 C.2 1 UNL1111111111 -0.1607 11 C -4.1246 1.2526 0.0148 C.2 1 UNL1111111111 0.6074 12 C 5.0878 0.1635 0.7154 C.2 1 UNL1111111111 -0.1555 13 C 5.5242 -1.2375 0.4134 C.3 1 UNL1111111111 -0.2886 14 C 4.3181 -2.1263 0.3448 C.2 1 UNL1111111111 -0.1561 15 C -6.0140 -0.1515 -0.2965 C.3 1 UNL1111111111 0.0084 16 C 3.4636 -2.0874 -0.6811 C.2 1 UNL1111111111 -0.1530 17 C 2.2535 -2.9634 -0.7642 C.3 1 UNL1111111111 -0.2863 18 C -6.4389 -1.5115 0.2328 C.3 1 UNL1111111111 -0.4634 19 C 1.0149 -2.1645 -0.5023 C.2 1 UNL1111111111 -0.1628 20 C -0.0481 -2.6745 0.1258 C.2 1 UNL1111111111 -0.1635 21 C -1.2831 -1.8772 0.3936 C.3 1 UNL1111111111 -0.2579 22 C -2.5465 -2.6670 0.0471 C.3 1 UNL1111111111 -0.4404 23 H 0.7318 1.5998 -1.3181 H 1 UNL1111111111 0.1373 24 H 0.5894 3.2455 -0.6937 H 1 UNL1111111111 0.1379 25 H 2.1013 2.4849 1.3041 H 1 UNL1111111111 0.1354 26 H 2.3740 0.9808 0.4226 H 1 UNL1111111111 0.1482 27 H -0.3788 2.3913 1.4608 H 1 UNL1111111111 0.1388 28 H -0.1587 0.7225 0.9267 H 1 UNL1111111111 0.1415 29 H 3.0076 3.8219 -0.6185 H 1 UNL1111111111 0.1330 30 H 3.1967 2.3549 -1.5844 H 1 UNL1111111111 0.1394 31 H -1.7006 1.1554 -1.0531 H 1 UNL1111111111 0.1462 32 H -1.9182 2.8242 -0.5307 H 1 UNL1111111111 0.1563 33 H 4.5770 2.7302 1.1564 H 1 UNL1111111111 0.1439 34 H 5.3233 3.2531 -0.3511 H 1 UNL1111111111 0.1413 35 H -2.9818 2.1090 1.6063 H 1 UNL1111111111 0.1759 36 H -2.6003 0.4087 1.2945 H 1 UNL1111111111 0.1789 37 H 5.4038 0.9517 -1.2321 H 1 UNL1111111111 0.1418 38 H 4.7544 0.3293 1.7368 H 1 UNL1111111111 0.1454 39 H 6.2340 -1.5912 1.1904 H 1 UNL1111111111 0.1484 40 H 6.0949 -1.2881 -0.5385 H 1 UNL1111111111 0.1518 41 H 4.1829 -2.7946 1.1906 H 1 UNL1111111111 0.1443 42 H -6.7203 0.6547 -0.0318 H 1 UNL1111111111 0.1322 43 H -5.8437 -0.1460 -1.3876 H 1 UNL1111111111 0.1352 44 H 3.5932 -1.3985 -1.5139 H 1 UNL1111111111 0.1466 45 H 2.3305 -3.8225 -0.0650 H 1 UNL1111111111 0.1496 46 H 2.1870 -3.4236 -1.7768 H 1 UNL1111111111 0.1567 47 H -5.7528 -2.3034 -0.0940 H 1 UNL1111111111 0.1569 48 H -6.4443 -1.5256 1.3313 H 1 UNL1111111111 0.1610 49 H -7.4456 -1.7727 -0.1125 H 1 UNL1111111111 0.1541 50 H 1.0417 -1.1376 -0.8626 H 1 UNL1111111111 0.1495 51 H -0.0742 -3.6997 0.4870 H 1 UNL1111111111 0.1421 52 H -1.2755 -0.9266 -0.1801 H 1 UNL1111111111 0.1463 53 H -1.3031 -1.5859 1.4658 H 1 UNL1111111111 0.1420 54 H -2.5442 -2.9778 -1.0035 H 1 UNL1111111111 0.1452 55 H -3.4460 -2.0573 0.2095 H 1 UNL1111111111 0.1528 56 H -2.6410 -3.5687 0.6603 H 1 UNL1111111111 0.1401 @BOND 1 1 11 1 2 1 15 1 3 2 11 2 4 3 4 1 5 3 5 1 6 3 23 1 7 3 24 1 8 4 6 1 9 4 25 1 10 4 26 1 11 5 7 1 12 5 27 1 13 5 28 1 14 6 8 1 15 6 29 1 16 6 30 1 17 7 9 1 18 7 31 1 19 7 32 1 20 8 10 1 21 8 33 1 22 8 34 1 23 9 11 1 24 9 35 1 25 9 36 1 26 10 12 2 27 10 37 1 28 12 13 1 29 12 38 1 30 13 14 1 31 13 39 1 32 13 40 1 33 14 16 2 34 14 41 1 35 15 18 1 36 15 42 1 37 15 43 1 38 16 17 1 39 16 44 1 40 17 19 1 41 17 45 1 42 17 46 1 43 18 47 1 44 18 48 1 45 18 49 1 46 19 20 2 47 19 50 1 48 20 21 1 49 20 51 1 50 21 22 1 51 21 52 1 52 21 53 1 53 22 54 1 54 22 55 1 55 22 56 1