@MOLECULE (2-cyclohexylacetyl) (1S)-2,2-dimethylcyclopropanecarboxylate 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.3392 0.1958 -0.5799 C.3 1 UNL11111111 0.1096 2 C -5.0857 -0.4032 -1.7456 C.3 1 UNL11111111 -0.4522 3 C -4.1831 1.6884 -0.6840 C.3 1 UNL11111111 -0.4603 4 C -4.4942 -0.4370 0.7815 C.3 1 UNL11111111 -0.3138 5 C -3.2032 -0.6560 0.0157 C.3 1 UNL11111111 -0.3163 6 H -3.0163 -1.6404 -0.4365 H 1 UNL11111111 0.1925 7 C -1.9802 -0.0089 0.5261 C.2 1 UNL11111111 0.6613 8 O -1.8573 0.9793 1.1894 O.2 1 UNL11111111 -0.4471 9 O -0.8833 -0.7048 0.0607 O.3 1 UNL11111111 -0.5508 10 C 0.3454 -0.6492 0.6881 C.2 1 UNL11111111 0.6415 11 O 0.4557 -0.3491 1.8381 O.2 1 UNL11111111 -0.4318 12 C 1.3876 -1.1118 -0.2807 C.3 1 UNL11111111 -0.3728 13 C 2.7512 -0.4893 0.0688 C.3 1 UNL11111111 -0.0774 14 C 3.8609 -1.1987 -0.7265 C.3 1 UNL11111111 -0.2784 15 C 5.2267 -0.5876 -0.3855 C.3 1 UNL11111111 -0.2616 16 C 5.2355 0.9172 -0.6852 C.3 1 UNL11111111 -0.2661 17 C 4.1179 1.6273 0.0899 C.3 1 UNL11111111 -0.2582 18 C 2.7523 1.0161 -0.2482 C.3 1 UNL11111111 -0.2812 19 H -4.5506 -0.2313 -2.6892 H 1 UNL11111111 0.1565 20 H -5.2295 -1.4861 -1.6463 H 1 UNL11111111 0.1507 21 H -6.0827 0.0472 -1.8478 H 1 UNL11111111 0.1569 22 H -5.1610 2.1867 -0.7199 H 1 UNL11111111 0.1565 23 H -3.6395 2.1194 0.1719 H 1 UNL11111111 0.1775 24 H -3.6315 1.9744 -1.5891 H 1 UNL11111111 0.1561 25 H -4.4814 0.1932 1.6714 H 1 UNL11111111 0.1777 26 H -5.1716 -1.2733 0.9281 H 1 UNL11111111 0.1631 27 H 1.4429 -2.2214 -0.2448 H 1 UNL11111111 0.1791 28 H 1.0990 -0.8673 -1.3249 H 1 UNL11111111 0.1818 29 H 2.9446 -0.6261 1.1628 H 1 UNL11111111 0.1558 30 H 3.8659 -2.2801 -0.5008 H 1 UNL11111111 0.1307 31 H 3.6697 -1.1095 -1.8115 H 1 UNL11111111 0.1372 32 H 5.4629 -0.7611 0.6812 H 1 UNL11111111 0.1383 33 H 6.0227 -1.0944 -0.9601 H 1 UNL11111111 0.1272 34 H 6.2167 1.3511 -0.4217 H 1 UNL11111111 0.1284 35 H 5.1086 1.0862 -1.7706 H 1 UNL11111111 0.1340 36 H 4.3050 1.5536 1.1782 H 1 UNL11111111 0.1406 37 H 4.1177 2.7070 -0.1462 H 1 UNL11111111 0.1316 38 H 2.5153 1.1859 -1.3140 H 1 UNL11111111 0.1366 39 H 1.9586 1.5270 0.3314 H 1 UNL11111111 0.1469 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 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 16 17 1 18 17 18 1 19 13 18 1 20 2 19 1 21 2 20 1 22 2 21 1 23 3 22 1 24 3 23 1 25 3 24 1 26 4 25 1 27 4 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 35 16 34 1 36 16 35 1 37 17 36 1 38 17 37 1 39 18 38 1 40 18 39 1