@MOLECULE 3-methylbutanoyl cyclohexanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1360 -1.0707 0.5342 C.3 1 UNL11111111 -0.6590 2 C -3.4466 -1.7745 0.1621 C.3 1 UNL11111111 -0.2696 3 C -4.6151 -0.7808 0.1902 C.3 1 UNL11111111 -0.3769 4 C -4.3527 0.3881 -0.7687 C.3 1 UNL11111111 -0.2534 5 C -3.0413 1.0968 -0.4126 C.3 1 UNL11111111 -0.4976 6 C -1.8754 0.0972 -0.4317 C.3 1 UNL11111111 0.1437 7 C -0.6100 0.8091 -0.0270 C.2 1 UNL11111111 0.1773 8 O -0.4494 1.9485 0.2887 O.2 1 UNL11111111 -0.2339 9 O 0.4401 -0.0767 -0.1498 O.3 1 UNL11111111 -0.3372 10 C 1.6532 0.0924 0.4822 C.2 1 UNL11111111 0.4770 11 O 1.7926 0.8350 1.4065 O.2 1 UNL11111111 -0.3301 12 C 2.6311 -0.8593 -0.1331 C.3 1 UNL11111111 -0.7487 13 C 4.0695 -0.3306 0.0267 C.3 1 UNL11111111 0.4239 14 C 5.0611 -1.4290 -0.3691 C.3 1 UNL11111111 -1.0488 15 C 4.2776 0.9151 -0.8382 C.3 1 UNL11111111 -0.8791 16 H -2.1884 -0.7013 1.5764 H 1 UNL11111111 0.2760 17 H -1.2939 -1.7883 0.5025 H 1 UNL11111111 0.2402 18 H -3.3615 -2.2328 -0.8409 H 1 UNL11111111 0.1795 19 H -3.6397 -2.6083 0.8618 H 1 UNL11111111 0.1594 20 H -5.5561 -1.2919 -0.0817 H 1 UNL11111111 0.1459 21 H -4.7615 -0.4000 1.2187 H 1 UNL11111111 0.2072 22 H -4.3176 0.0211 -1.8111 H 1 UNL11111111 0.1595 23 H -5.1913 1.1080 -0.7284 H 1 UNL11111111 0.1481 24 H -2.8476 1.9283 -1.1171 H 1 UNL11111111 0.1907 25 H -3.1216 1.5685 0.5873 H 1 UNL11111111 0.2201 26 H -1.7448 -0.3083 -1.4677 H 1 UNL11111111 0.1972 27 H 2.5231 -1.8507 0.3570 H 1 UNL11111111 0.2782 28 H 2.3970 -1.0344 -1.2044 H 1 UNL11111111 0.2985 29 H 4.2359 -0.0568 1.1001 H 1 UNL11111111 0.1003 30 H 4.9259 -1.7404 -1.4104 H 1 UNL11111111 0.2932 31 H 6.0956 -1.0802 -0.2660 H 1 UNL11111111 0.2916 32 H 4.9543 -2.3181 0.2613 H 1 UNL11111111 0.2709 33 H 3.5954 1.7237 -0.5428 H 1 UNL11111111 0.2679 34 H 5.2974 1.3030 -0.7361 H 1 UNL11111111 0.2311 35 H 4.1088 0.7095 -1.8999 H 1 UNL11111111 0.2568 @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 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 12 27 1 28 12 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 15 35 1