@MOLECULE N-isohexylcyclohexanecarboxamide 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.6575 -1.3036 0.1668 C.3 1 UNL11111111 -0.4382 2 C -4.0344 -1.7161 -0.3654 C.3 1 UNL11111111 -0.4488 3 C -5.1013 -0.6975 0.0584 C.3 1 UNL11111111 -0.3247 4 C -4.7358 0.7064 -0.4425 C.3 1 UNL11111111 -0.2546 5 C -3.3614 1.1250 0.0922 C.3 1 UNL11111111 -0.5117 6 C -2.2929 0.1043 -0.3321 C.3 1 UNL11111111 -0.0414 7 C -0.9755 0.5048 0.3155 C.2 1 UNL11111111 0.2779 8 O -0.8000 0.5018 1.5170 O.2 1 UNL11111111 -0.3341 9 N 0.0279 0.9079 -0.5451 N.am 1 UNL11111111 -0.7274 10 C 1.3577 1.2489 -0.0289 C.3 1 UNL11111111 -0.0865 11 C 2.3952 0.2054 -0.4836 C.3 1 UNL11111111 -0.2078 12 C 3.7784 0.5659 0.0652 C.3 1 UNL11111111 -0.6530 13 C 4.8502 -0.4455 -0.3865 C.3 1 UNL11111111 0.3214 14 C 6.2460 0.1210 -0.0922 C.3 1 UNL11111111 -0.9853 15 C 4.6747 -1.7906 0.3276 C.3 1 UNL11111111 -0.9452 16 H -2.6571 -1.3157 1.2769 H 1 UNL11111111 0.2608 17 H -1.8883 -2.0333 -0.1437 H 1 UNL11111111 0.1920 18 H -4.0080 -1.8005 -1.4673 H 1 UNL11111111 0.2180 19 H -4.2984 -2.7213 0.0119 H 1 UNL11111111 0.1890 20 H -6.0898 -0.9966 -0.3329 H 1 UNL11111111 0.1433 21 H -5.1963 -0.6900 1.1610 H 1 UNL11111111 0.2007 22 H -4.7379 0.7268 -1.5478 H 1 UNL11111111 0.1655 23 H -5.5019 1.4360 -0.1217 H 1 UNL11111111 0.1420 24 H -3.0965 2.1339 -0.2719 H 1 UNL11111111 0.1975 25 H -3.3883 1.1971 1.1994 H 1 UNL11111111 0.2288 26 H -2.2203 0.0909 -1.4433 H 1 UNL11111111 0.1967 27 H -0.0759 0.8696 -1.5416 H 1 UNL11111111 0.4070 28 H 1.6355 2.2643 -0.3881 H 1 UNL11111111 0.1537 29 H 1.3248 1.2984 1.0872 H 1 UNL11111111 0.1537 30 H 2.0908 -0.7984 -0.1283 H 1 UNL11111111 0.2021 31 H 2.4235 0.1427 -1.5859 H 1 UNL11111111 0.1266 32 H 4.0629 1.5806 -0.2720 H 1 UNL11111111 0.2199 33 H 3.7502 0.6115 1.1704 H 1 UNL11111111 0.2542 34 H 4.7546 -0.6065 -1.4868 H 1 UNL11111111 0.1158 35 H 6.3769 0.3267 0.9756 H 1 UNL11111111 0.2836 36 H 7.0302 -0.5835 -0.3890 H 1 UNL11111111 0.2695 37 H 6.4222 1.0555 -0.6346 H 1 UNL11111111 0.2588 38 H 4.7474 -1.6792 1.4150 H 1 UNL11111111 0.2841 39 H 3.6992 -2.2377 0.1082 H 1 UNL11111111 0.2330 40 H 5.4418 -2.5079 0.0176 H 1 UNL11111111 0.2629 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 am 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 9 27 1 28 10 28 1 29 10 29 1 30 11 30 1 31 11 31 1 32 12 32 1 33 12 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 14 37 1 38 15 38 1 39 15 39 1 40 15 40 1