@MOLECULE butanoyl cyclohexanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8240 -1.0390 0.7103 C.3 1 UNL11111111 -0.6297 2 C -3.0842 -1.8400 0.3602 C.3 1 UNL11111111 -0.3020 3 C -4.3000 -0.9109 0.2471 C.3 1 UNL11111111 -0.3197 4 C -4.0510 0.1762 -0.8067 C.3 1 UNL11111111 -0.3572 5 C -2.7983 0.9867 -0.4567 C.3 1 UNL11111111 -0.4254 6 C -1.5846 0.0524 -0.3469 C.3 1 UNL11111111 0.1285 7 C -0.3756 0.8596 0.0577 C.2 1 UNL11111111 0.2797 8 O -0.3199 1.9561 0.5225 O.2 1 UNL11111111 -0.2837 9 O 0.7364 0.0813 -0.1791 O.3 1 UNL11111111 -0.4182 10 C 2.0371 0.4924 0.0150 C.2 1 UNL11111111 0.4496 11 O 2.3374 1.6118 0.2954 O.2 1 UNL11111111 -0.3069 12 C 2.9175 -0.6988 -0.2146 C.3 1 UNL11111111 -0.5026 13 C 4.3865 -0.3073 -0.0290 C.3 1 UNL11111111 -0.0386 14 C 5.2959 -1.5162 -0.2313 C.3 1 UNL11111111 -0.8523 15 H -1.9340 -0.5836 1.7135 H 1 UNL11111111 0.2548 16 H -0.9468 -1.7112 0.7689 H 1 UNL11111111 0.2397 17 H -2.9363 -2.3870 -0.5897 H 1 UNL11111111 0.1837 18 H -3.2660 -2.6122 1.1302 H 1 UNL11111111 0.1624 19 H -5.2016 -1.4938 -0.0134 H 1 UNL11111111 0.1395 20 H -4.5113 -0.4450 1.2282 H 1 UNL11111111 0.1991 21 H -3.9416 -0.2831 -1.8068 H 1 UNL11111111 0.1830 22 H -4.9275 0.8469 -0.8749 H 1 UNL11111111 0.1659 23 H -2.6174 1.7676 -1.2191 H 1 UNL11111111 0.1856 24 H -2.9483 1.5319 0.4971 H 1 UNL11111111 0.2083 25 H -1.3932 -0.4330 -1.3372 H 1 UNL11111111 0.1866 26 H 2.6350 -1.5184 0.4803 H 1 UNL11111111 0.2305 27 H 2.7419 -1.1100 -1.2318 H 1 UNL11111111 0.2542 28 H 4.6577 0.5023 -0.7368 H 1 UNL11111111 0.1511 29 H 4.5411 0.1257 0.9806 H 1 UNL11111111 0.1052 30 H 5.1904 -1.9399 -1.2363 H 1 UNL11111111 0.2324 31 H 6.3503 -1.2421 -0.1032 H 1 UNL11111111 0.2425 32 H 5.0780 -2.3130 0.4889 H 1 UNL11111111 0.2540 @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 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 14 32 1