@MOLECULE methyl (19z)-akuammilan-17-oate 46 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8307 -1.5444 1.4538 O.3 1 UNL1111111111 -0.3913 2 O 0.7341 -2.9139 -0.3266 O.2 1 UNL1111111111 -0.4972 3 N -2.0978 2.0781 0.5200 N.3 1 UNL1111111111 -0.4138 4 N 1.3549 1.5224 1.2884 N.2 1 UNL1111111111 -0.3697 5 C 0.1169 0.4900 -0.4936 C.3 1 UNL1111111111 -0.0164 6 C -0.5708 -0.8749 -0.3298 C.3 1 UNL1111111111 -0.2016 7 C -1.1809 1.4146 1.4967 C.3 1 UNL1111111111 0.0478 8 C -1.8454 -0.8142 0.5581 C.3 1 UNL1111111111 -0.0937 9 C 0.1636 1.2153 0.8781 C.2 1 UNL1111111111 0.1694 10 C -1.6235 -0.0227 1.8601 C.3 1 UNL1111111111 -0.3116 11 C -0.6340 1.4075 -1.4705 C.3 1 UNL1111111111 -0.3135 12 C -1.3780 2.5213 -0.6953 C.3 1 UNL1111111111 -0.1106 13 C -2.9629 -0.1742 -0.2173 C.2 1 UNL1111111111 -0.0714 14 C 1.5954 0.4061 -0.7826 C.ar 1 UNL1111111111 -0.1239 15 C -3.2736 1.2454 0.1882 C.3 1 UNL1111111111 -0.1167 16 C 2.2769 1.0373 0.3011 C.ar 1 UNL1111111111 0.1298 17 C 0.3930 -1.9003 0.2253 C.2 1 UNL1111111111 0.5791 18 C 2.3026 -0.1341 -1.8316 C.ar 1 UNL1111111111 -0.1165 19 C -3.6633 -0.7893 -1.1773 C.2 1 UNL1111111111 -0.1671 20 C 3.6558 1.1239 0.3349 C.ar 1 UNL1111111111 -0.1591 21 C 3.7035 -0.0490 -1.7979 C.ar 1 UNL1111111111 -0.1617 22 C 4.3630 0.5660 -0.7385 C.ar 1 UNL1111111111 -0.1306 23 C -3.4461 -2.1889 -1.6295 C.3 1 UNL1111111111 -0.4396 24 C 1.8124 -2.3956 2.0406 C.3 1 UNL1111111111 -0.1721 25 H -0.8732 -1.2439 -1.3501 H 1 UNL1111111111 0.1884 26 H -1.1514 2.0793 2.3973 H 1 UNL1111111111 0.1746 27 H -2.1312 -1.8643 0.8280 H 1 UNL1111111111 0.1566 28 H -2.5453 -0.0067 2.4679 H 1 UNL1111111111 0.1567 29 H -0.8557 -0.5064 2.4965 H 1 UNL1111111111 0.1744 30 H -1.3523 0.8283 -2.0793 H 1 UNL1111111111 0.1586 31 H 0.0698 1.8666 -2.1900 H 1 UNL1111111111 0.1593 32 H -0.6544 3.3079 -0.3741 H 1 UNL1111111111 0.1549 33 H -2.1040 3.0287 -1.3649 H 1 UNL1111111111 0.1432 34 H -3.8616 1.7737 -0.5953 H 1 UNL1111111111 0.1447 35 H -3.9298 1.2352 1.0930 H 1 UNL1111111111 0.1542 36 H 1.7995 -0.6252 -2.6617 H 1 UNL1111111111 0.1616 37 H -4.4627 -0.2679 -1.7054 H 1 UNL1111111111 0.1438 38 H 4.1658 1.6052 1.1656 H 1 UNL1111111111 0.1721 39 H 4.2787 -0.4774 -2.6169 H 1 UNL1111111111 0.1540 40 H 5.4512 0.6169 -0.7376 H 1 UNL1111111111 0.1513 41 H -4.3927 -2.6792 -1.8984 H 1 UNL1111111111 0.1526 42 H -2.9668 -2.8223 -0.8696 H 1 UNL1111111111 0.1565 43 H -2.8041 -2.2195 -2.5243 H 1 UNL1111111111 0.1606 44 H 2.6926 -2.4630 1.3922 H 1 UNL1111111111 0.1430 45 H 1.3892 -3.3888 2.2191 H 1 UNL1111111111 0.1399 46 H 2.0509 -1.8777 2.9775 H 1 UNL1111111111 0.1510 @BOND 1 1 17 1 2 1 24 1 3 2 17 2 4 3 7 1 5 3 12 1 6 3 15 1 7 4 9 2 8 4 16 1 9 5 6 1 10 5 9 1 11 5 11 1 12 5 14 1 13 6 8 1 14 6 17 1 15 6 25 1 16 7 9 1 17 7 10 1 18 7 26 1 19 8 10 1 20 8 13 1 21 8 27 1 22 10 28 1 23 10 29 1 24 11 12 1 25 11 30 1 26 11 31 1 27 12 32 1 28 12 33 1 29 13 15 1 30 13 19 2 31 14 16 ar 32 14 18 ar 33 15 34 1 34 15 35 1 35 16 20 ar 36 18 21 ar 37 18 36 1 38 19 23 1 39 19 37 1 40 20 22 ar 41 20 38 1 42 21 22 ar 43 21 39 1 44 22 40 1 45 23 41 1 46 23 42 1 47 23 43 1 48 24 44 1 49 24 45 1 50 24 46 1