@MOLECULE (1s,5s)-3,3,5-trimethylcyclohexyl salicylate 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1859 0.3907 -0.0482 O.3 1 UNL1111111111 -0.4632 2 O 0.9434 -1.1904 -1.4537 O.2 1 UNL1111111111 -0.4814 3 O 3.2703 -2.0324 -0.2077 O.3 1 UNL1111111111 -0.4288 4 C -3.4729 1.0664 -0.0596 C.3 1 UNL1111111111 0.1160 5 C -3.8728 -0.2148 0.7028 C.3 1 UNL1111111111 -0.3149 6 C -3.0737 -1.4470 0.2450 C.3 1 UNL1111111111 -0.0678 7 C -1.9525 1.2951 0.0559 C.3 1 UNL1111111111 -0.3340 8 C -1.1717 0.0530 -0.3846 C.3 1 UNL1111111111 0.1593 9 C -1.5686 -1.1923 0.4084 C.3 1 UNL1111111111 -0.3392 10 C -3.8930 0.9760 -1.5341 C.3 1 UNL1111111111 -0.4674 11 C -4.1956 2.2654 0.5831 C.3 1 UNL1111111111 -0.4718 12 C -3.4893 -2.6752 1.0621 C.3 1 UNL1111111111 -0.4569 13 C 1.1720 -0.3250 -0.6499 C.2 1 UNL1111111111 0.6294 14 C 2.4787 0.1634 -0.1807 C.ar 1 UNL1111111111 -0.2394 15 C 3.5441 -0.7283 0.0070 C.ar 1 UNL1111111111 0.3381 16 C 2.6857 1.5196 0.0780 C.ar 1 UNL1111111111 -0.0121 17 C 4.8070 -0.2853 0.4184 C.ar 1 UNL1111111111 -0.3339 18 C 3.9355 1.9733 0.4907 C.ar 1 UNL1111111111 -0.2519 19 C 4.9901 1.0721 0.6556 C.ar 1 UNL1111111111 -0.0286 20 H -4.9537 -0.4017 0.5745 H 1 UNL1111111111 0.1382 21 H -3.7190 -0.0588 1.7870 H 1 UNL1111111111 0.1423 22 H -3.2932 -1.6446 -0.8322 H 1 UNL1111111111 0.1346 23 H -1.6847 1.5433 1.1017 H 1 UNL1111111111 0.1570 24 H -1.6459 2.1689 -0.5461 H 1 UNL1111111111 0.1483 25 H -1.2336 -0.1158 -1.4817 H 1 UNL1111111111 0.1380 26 H -1.3062 -1.0625 1.4746 H 1 UNL1111111111 0.1546 27 H -0.9849 -2.0659 0.0569 H 1 UNL1111111111 0.1622 28 H -3.6360 1.8906 -2.0783 H 1 UNL1111111111 0.1451 29 H -3.4030 0.1411 -2.0467 H 1 UNL1111111111 0.1493 30 H -4.9736 0.8274 -1.6300 H 1 UNL1111111111 0.1449 31 H -3.9385 3.2021 0.0782 H 1 UNL1111111111 0.1456 32 H -5.2828 2.1497 0.5262 H 1 UNL1111111111 0.1455 33 H -3.9313 2.3767 1.6393 H 1 UNL1111111111 0.1441 34 H -2.9376 -3.5673 0.7440 H 1 UNL1111111111 0.1480 35 H -3.2967 -2.5329 2.1307 H 1 UNL1111111111 0.1446 36 H -4.5569 -2.8889 0.9441 H 1 UNL1111111111 0.1415 37 H 1.8577 2.2225 -0.0470 H 1 UNL1111111111 0.1682 38 H 5.6230 -0.9867 0.5506 H 1 UNL1111111111 0.1639 39 H 4.0915 3.0305 0.6873 H 1 UNL1111111111 0.1596 40 H 5.9666 1.4374 0.9762 H 1 UNL1111111111 0.1477 41 H 4.0671 -2.6102 -0.0906 H 1 UNL1111111111 0.3256 @BOND 1 1 8 1 2 1 13 1 3 2 13 2 4 3 15 1 5 3 41 1 6 4 5 1 7 4 7 1 8 4 10 1 9 4 11 1 10 5 6 1 11 5 20 1 12 5 21 1 13 6 9 1 14 6 12 1 15 6 22 1 16 7 8 1 17 7 23 1 18 7 24 1 19 8 9 1 20 8 25 1 21 9 26 1 22 9 27 1 23 10 28 1 24 10 29 1 25 10 30 1 26 11 31 1 27 11 32 1 28 11 33 1 29 12 34 1 30 12 35 1 31 12 36 1 32 13 14 1 33 14 15 ar 34 14 16 ar 35 15 17 ar 36 16 18 ar 37 16 37 1 38 17 19 ar 39 17 38 1 40 18 19 ar 41 18 39 1 42 19 40 1