@MOLECULE (2-cyclobutylacetyl) cyclohexanecarboxylate 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5251 -1.0634 0.6784 C.3 1 UNL11111111 -0.2601 2 C -3.7632 -1.8593 0.2481 C.3 1 UNL11111111 -0.2613 3 C -4.9742 -0.9301 0.0923 C.3 1 UNL11111111 -0.2647 4 C -4.6760 0.1806 -0.9238 C.3 1 UNL11111111 -0.2602 5 C -3.4402 0.9824 -0.5001 C.3 1 UNL11111111 -0.2656 6 C -2.2331 0.0455 -0.3470 C.3 1 UNL11111111 -0.1735 7 C -1.0468 0.8440 0.1345 C.2 1 UNL11111111 0.6133 8 O -1.0203 1.9216 0.6445 O.2 1 UNL11111111 -0.4246 9 O 0.0801 0.0812 -0.0783 O.3 1 UNL11111111 -0.5599 10 C 1.3698 0.5087 0.1623 C.2 1 UNL11111111 0.6325 11 O 1.6455 1.6393 0.4186 O.2 1 UNL11111111 -0.4156 12 C 2.2647 -0.6837 0.0006 C.3 1 UNL11111111 -0.3627 13 C 3.6783 -0.3528 0.4502 C.3 1 UNL11111111 -0.0915 14 C 4.7023 -1.5036 0.2209 C.3 1 UNL11111111 -0.2905 15 C 5.5164 -0.5913 -0.7340 C.3 1 UNL11111111 -0.2746 16 C 4.4908 0.5515 -0.5228 C.3 1 UNL11111111 -0.2752 17 H -2.6887 -0.6249 1.6819 H 1 UNL11111111 0.1478 18 H -1.6509 -1.7355 0.7717 H 1 UNL11111111 0.1446 19 H -3.5650 -2.3860 -0.7041 H 1 UNL11111111 0.1366 20 H -3.9817 -2.6476 0.9917 H 1 UNL11111111 0.1330 21 H -5.8590 -1.5097 -0.2268 H 1 UNL11111111 0.1299 22 H -5.2372 -0.4858 1.0709 H 1 UNL11111111 0.1401 23 H -4.5212 -0.2567 -1.9277 H 1 UNL11111111 0.1356 24 H -5.5481 0.8541 -1.0169 H 1 UNL11111111 0.1353 25 H -3.2211 1.7749 -1.2403 H 1 UNL11111111 0.1446 26 H -3.6359 1.5114 0.4546 H 1 UNL11111111 0.1580 27 H -1.9927 -0.4222 -1.3350 H 1 UNL11111111 0.1710 28 H 1.8638 -1.5455 0.5783 H 1 UNL11111111 0.1808 29 H 2.2492 -1.0170 -1.0608 H 1 UNL11111111 0.1833 30 H 3.6818 0.0291 1.4864 H 1 UNL11111111 0.1490 31 H 5.2383 -1.8114 1.1212 H 1 UNL11111111 0.1402 32 H 4.2919 -2.3984 -0.2497 H 1 UNL11111111 0.1376 33 H 6.5271 -0.3626 -0.3892 H 1 UNL11111111 0.1381 34 H 5.5842 -0.9557 -1.7610 H 1 UNL11111111 0.1363 35 H 3.9520 0.8574 -1.4216 H 1 UNL11111111 0.1438 36 H 4.8973 1.4536 -0.0579 H 1 UNL11111111 0.1488 @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 15 16 1 17 13 16 1 18 1 17 1 19 1 18 1 20 2 19 1 21 2 20 1 22 3 21 1 23 3 22 1 24 4 23 1 25 4 24 1 26 5 25 1 27 5 26 1 28 6 27 1 29 12 28 1 30 12 29 1 31 13 30 1 32 14 31 1 33 14 32 1 34 15 33 1 35 15 34 1 36 16 35 1 37 16 36 1