@MOLECULE 1,1-dimethylbutyl cyclohexanecarboxylate 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.7451 0.8080 -0.9106 C.3 1 UNL11111111 -0.2602 2 C -2.9863 1.6967 -0.7694 C.3 1 UNL11111111 -0.2586 3 C -4.2101 0.8542 -0.3873 C.3 1 UNL11111111 -0.2646 4 C -3.9529 0.0981 0.9230 C.3 1 UNL11111111 -0.2605 5 C -2.7157 -0.7971 0.7951 C.3 1 UNL11111111 -0.2615 6 C -1.4908 0.0379 0.3962 C.3 1 UNL11111111 -0.1756 7 C -0.3091 -0.8838 0.1902 C.2 1 UNL11111111 0.6093 8 O -0.3170 -2.0877 0.2069 O.2 1 UNL11111111 -0.5286 9 O 0.7928 -0.1371 -0.0272 O.3 1 UNL11111111 -0.4780 10 C 2.0610 -0.7494 -0.3274 C.3 1 UNL11111111 0.3489 11 C 2.4882 -1.6465 0.8283 C.3 1 UNL11111111 -0.5052 12 C 1.9408 -1.5229 -1.6406 C.3 1 UNL11111111 -0.5113 13 C 2.9733 0.4821 -0.5090 C.3 1 UNL11111111 -0.3135 14 C 3.0546 1.3482 0.7528 C.3 1 UNL11111111 -0.2388 15 C 3.8942 2.6002 0.4966 C.3 1 UNL11111111 -0.4420 16 H -1.8811 0.0994 -1.7497 H 1 UNL11111111 0.1439 17 H -0.8594 1.4222 -1.1652 H 1 UNL11111111 0.1475 18 H -2.8100 2.4780 -0.0067 H 1 UNL11111111 0.1367 19 H -3.1751 2.2346 -1.7163 H 1 UNL11111111 0.1311 20 H -5.0999 1.5006 -0.2858 H 1 UNL11111111 0.1277 21 H -4.4428 0.1369 -1.1968 H 1 UNL11111111 0.1383 22 H -3.8199 0.8159 1.7536 H 1 UNL11111111 0.1350 23 H -4.8348 -0.5142 1.1868 H 1 UNL11111111 0.1324 24 H -2.5215 -1.3292 1.7456 H 1 UNL11111111 0.1439 25 H -2.8932 -1.5927 0.0439 H 1 UNL11111111 0.1552 26 H -1.2495 0.7655 1.2105 H 1 UNL11111111 0.1669 27 H 1.8990 -2.5761 0.8517 H 1 UNL11111111 0.1796 28 H 3.5436 -1.9247 0.7493 H 1 UNL11111111 0.1531 29 H 2.3385 -1.1527 1.7955 H 1 UNL11111111 0.1587 30 H 1.5210 -0.8982 -2.4364 H 1 UNL11111111 0.1557 31 H 2.9144 -1.8928 -1.9760 H 1 UNL11111111 0.1542 32 H 1.2790 -2.3950 -1.5297 H 1 UNL11111111 0.1793 33 H 3.9819 0.1426 -0.8068 H 1 UNL11111111 0.1448 34 H 2.5904 1.0942 -1.3494 H 1 UNL11111111 0.1517 35 H 2.0339 1.6336 1.0768 H 1 UNL11111111 0.1485 36 H 3.4883 0.7692 1.5893 H 1 UNL11111111 0.1336 37 H 3.4521 3.2257 -0.2871 H 1 UNL11111111 0.1424 38 H 3.9742 3.2140 1.4005 H 1 UNL11111111 0.1400 39 H 4.9114 2.3441 0.1809 H 1 UNL11111111 0.1399 @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 1 12 10 12 1 13 10 13 1 14 13 14 1 15 14 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 11 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1 39 15 39 1