@MOLECULE methyl alpha-linolenate 53 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.8879 -0.3590 0.4781 O.3 1 UNL1111 -0.4270 2 O 4.2688 1.1058 -0.0511 O.2 1 UNL1111 -0.5024 3 C -0.0317 -1.8516 -0.2912 C.3 1 UNL1111 -0.2663 4 C -0.8905 -3.1216 -0.3246 C.3 1 UNL1111 -0.2753 5 C 1.4536 -2.2040 -0.1412 C.3 1 UNL1111 -0.2677 6 C -2.3821 -2.7946 -0.4623 C.3 1 UNL1111 -0.2612 7 C 2.3053 -0.9310 -0.0946 C.3 1 UNL1111 -0.2547 8 C -2.9622 -2.2034 0.8331 C.3 1 UNL1111 -0.2746 9 C 3.7834 -1.2790 0.0972 C.3 1 UNL1111 -0.3536 10 C -4.4105 -1.8840 0.6451 C.2 1 UNL1111 -0.1696 11 C 4.6081 -0.0298 0.1513 C.2 1 UNL1111 0.6040 12 C -4.8864 -0.7665 0.0878 C.2 1 UNL1111 -0.1502 13 C -4.0517 0.3533 -0.4503 C.3 1 UNL1111 -0.2860 14 C -4.3596 1.6125 0.2964 C.2 1 UNL1111 -0.1593 15 C -3.4806 2.3474 0.9832 C.2 1 UNL1111 -0.1546 16 C -2.0203 2.0568 1.1346 C.3 1 UNL1111 -0.2795 17 C 6.8111 0.7195 0.5726 C.3 1 UNL1111 -0.1664 18 C -1.2269 3.1814 0.5455 C.2 1 UNL1111 -0.1617 19 C -0.3042 3.0595 -0.4130 C.2 1 UNL1111 -0.1508 20 C 0.1082 1.7784 -1.0639 C.3 1 UNL1111 -0.2604 21 C -0.7663 1.5034 -2.2905 C.3 1 UNL1111 -0.4313 22 H -0.1937 -1.2635 -1.2148 H 1 UNL1111 0.1403 23 H -0.3513 -1.2016 0.5457 H 1 UNL1111 0.1372 24 H -0.7175 -3.7225 0.5875 H 1 UNL1111 0.1366 25 H -0.5752 -3.7622 -1.1706 H 1 UNL1111 0.1335 26 H 1.6075 -2.8009 0.7774 H 1 UNL1111 0.1368 27 H 1.7757 -2.8484 -0.9803 H 1 UNL1111 0.1355 28 H -2.5440 -2.0924 -1.3019 H 1 UNL1111 0.1414 29 H -2.9414 -3.7114 -0.7303 H 1 UNL1111 0.1362 30 H 1.9630 -0.2652 0.7233 H 1 UNL1111 0.1536 31 H 2.1724 -0.3433 -1.0257 H 1 UNL1111 0.1543 32 H -2.3946 -1.2991 1.1327 H 1 UNL1111 0.1469 33 H -2.8254 -2.9181 1.6686 H 1 UNL1111 0.1404 34 H 4.1458 -1.9303 -0.7270 H 1 UNL1111 0.1767 35 H 3.9335 -1.8744 1.0233 H 1 UNL1111 0.1775 36 H -5.0904 -2.6581 1.0006 H 1 UNL1111 0.1395 37 H -5.9607 -0.6040 -0.0055 H 1 UNL1111 0.1412 38 H -4.2725 0.4983 -1.5326 H 1 UNL1111 0.1543 39 H -2.9686 0.1095 -0.4169 H 1 UNL1111 0.1558 40 H -5.4087 1.9088 0.2469 H 1 UNL1111 0.1427 41 H -3.8029 3.2569 1.4937 H 1 UNL1111 0.1421 42 H -1.7714 1.9480 2.2150 H 1 UNL1111 0.1545 43 H -1.7463 1.0813 0.6814 H 1 UNL1111 0.1501 44 H 7.7552 0.2166 0.8113 H 1 UNL1111 0.1451 45 H 6.5084 1.4039 1.3723 H 1 UNL1111 0.1396 46 H 6.8720 1.2524 -0.3823 H 1 UNL1111 0.1399 47 H -1.4668 4.1595 0.9634 H 1 UNL1111 0.1391 48 H 0.2181 3.9382 -0.7930 H 1 UNL1111 0.1405 49 H 1.1768 1.8284 -1.3629 H 1 UNL1111 0.1486 50 H 0.0470 0.9307 -0.3527 H 1 UNL1111 0.1386 51 H -1.8273 1.4564 -2.0159 H 1 UNL1111 0.1469 52 H -0.4976 0.5566 -2.7692 H 1 UNL1111 0.1363 53 H -0.6610 2.2973 -3.0387 H 1 UNL1111 0.1470 @BOND 1 1 11 1 2 1 17 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 14 1 31 13 38 1 32 13 39 1 33 14 15 2 34 14 40 1 35 15 16 1 36 15 41 1 37 16 18 1 38 16 42 1 39 16 43 1 40 17 44 1 41 17 45 1 42 17 46 1 43 18 19 2 44 18 47 1 45 19 20 1 46 19 48 1 47 20 21 1 48 20 49 1 49 20 50 1 50 21 51 1 51 21 52 1 52 21 53 1