@MOLECULE (2-cyclopropylacetyl) cyclohexanecarboxylate 33 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1560 -1.0339 0.7007 C.3 1 UNL11111111 -0.2598 2 C -3.4050 -1.8339 0.3120 C.3 1 UNL11111111 -0.2620 3 C -4.6141 -0.9026 0.1552 C.3 1 UNL11111111 -0.2647 4 C -4.3292 0.1812 -0.8932 C.3 1 UNL11111111 -0.2603 5 C -3.0855 0.9895 -0.5072 C.3 1 UNL11111111 -0.2661 6 C -1.8791 0.0523 -0.3529 C.3 1 UNL11111111 -0.1726 7 C -0.6835 0.8583 0.0906 C.2 1 UNL11111111 0.6134 8 O -0.6411 1.9610 0.5419 O.2 1 UNL11111111 -0.4229 9 O 0.4321 0.0685 -0.0807 O.3 1 UNL11111111 -0.5609 10 C 1.7247 0.4753 0.1743 C.2 1 UNL11111111 0.6320 11 O 2.0223 1.6026 0.4187 O.2 1 UNL11111111 -0.4103 12 C 2.5922 -0.7455 0.0607 C.3 1 UNL11111111 -0.3435 13 C 4.0367 -0.3800 0.2864 C.3 1 UNL11111111 -0.1320 14 C 5.1119 -1.3852 -0.0695 C.3 1 UNL11111111 -0.3264 15 C 4.9455 -0.1373 -0.9008 C.3 1 UNL11111111 -0.3106 16 H -2.2990 -0.5736 1.6976 H 1 UNL11111111 0.1472 17 H -1.2829 -1.7079 0.7919 H 1 UNL11111111 0.1452 18 H -3.2265 -2.3854 -0.6297 H 1 UNL11111111 0.1366 19 H -3.6134 -2.6031 1.0783 H 1 UNL11111111 0.1331 20 H -5.5073 -1.4853 -0.1333 H 1 UNL11111111 0.1300 21 H -4.8570 -0.4328 1.1271 H 1 UNL11111111 0.1401 22 H -4.1905 -0.2811 -1.8882 H 1 UNL11111111 0.1357 23 H -5.2013 0.8542 -0.9900 H 1 UNL11111111 0.1355 24 H -2.8772 1.7665 -1.2670 H 1 UNL11111111 0.1452 25 H -3.2647 1.5399 0.4387 H 1 UNL11111111 0.1576 26 H -1.6550 -0.4375 -1.3340 H 1 UNL11111111 0.1712 27 H 2.2639 -1.5093 0.8022 H 1 UNL11111111 0.1838 28 H 2.4358 -1.2264 -0.9306 H 1 UNL11111111 0.1833 29 H 4.1828 0.2444 1.1790 H 1 UNL11111111 0.1718 30 H 5.9780 -1.4922 0.5777 H 1 UNL11111111 0.1579 31 H 4.8393 -2.3503 -0.4844 H 1 UNL11111111 0.1544 32 H 4.5518 -0.2064 -1.9101 H 1 UNL11111111 0.1564 33 H 5.6899 0.6532 -0.8492 H 1 UNL11111111 0.1617 @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 14 15 1 16 13 15 1 17 1 16 1 18 1 17 1 19 2 18 1 20 2 19 1 21 3 20 1 22 3 21 1 23 4 22 1 24 4 23 1 25 5 24 1 26 5 25 1 27 6 26 1 28 12 27 1 29 12 28 1 30 13 29 1 31 14 30 1 32 14 31 1 33 15 32 1 34 15 33 1