@MOLECULE (1-methylcyclopropyl) (2R)-2-methylpentanoate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.1289 0.5030 -0.2810 C.3 1 UNL11111111 -0.0168 2 H -1.0939 0.5090 -1.4010 H 1 UNL11111111 0.1882 3 C -1.1768 1.9430 0.2310 C.3 1 UNL11111111 -0.8727 4 C -2.3364 -0.3200 0.1928 C.3 1 UNL11111111 -0.5361 5 C -3.5997 0.0303 -0.6021 C.3 1 UNL11111111 -0.0495 6 C -4.8002 -0.7550 -0.0737 C.3 1 UNL11111111 -0.8173 7 C 0.1362 -0.1486 0.2324 C.2 1 UNL11111111 0.2936 8 O 0.2390 -1.0760 0.9885 O.2 1 UNL11111111 -0.2977 9 O 1.2081 0.4861 -0.3173 O.3 1 UNL11111111 -0.2230 10 C 2.4969 0.0177 -0.0031 C.3 1 UNL11111111 0.3664 11 C 2.8793 0.2715 1.4190 C.3 1 UNL11111111 -1.0351 12 C 2.9711 -1.1807 -0.7941 C.3 1 UNL11111111 -0.5623 13 C 3.4297 0.2105 -1.1790 C.3 1 UNL11111111 -0.5202 14 H -1.1822 1.9858 1.3268 H 1 UNL11111111 0.2932 15 H -0.3095 2.5202 -0.1182 H 1 UNL11111111 0.2479 16 H -2.0788 2.4581 -0.1203 H 1 UNL11111111 0.2499 17 H -2.1202 -1.4041 0.0950 H 1 UNL11111111 0.2216 18 H -2.5041 -0.1594 1.2755 H 1 UNL11111111 0.2488 19 H -3.8040 1.1158 -0.5388 H 1 UNL11111111 0.1166 20 H -3.4480 -0.1887 -1.6761 H 1 UNL11111111 0.1091 21 H -5.7140 -0.5014 -0.6216 H 1 UNL11111111 0.2123 22 H -4.6471 -1.8361 -0.1718 H 1 UNL11111111 0.2546 23 H -4.9832 -0.5442 0.9861 H 1 UNL11111111 0.2472 24 H 2.3146 -0.3889 2.0998 H 1 UNL11111111 0.3285 25 H 3.9465 0.0912 1.5977 H 1 UNL11111111 0.3257 26 H 2.6622 1.3083 1.7120 H 1 UNL11111111 0.2893 27 H 3.6671 -1.8825 -0.3462 H 1 UNL11111111 0.2660 28 H 2.2704 -1.7101 -1.4339 H 1 UNL11111111 0.2293 29 H 3.0480 0.6640 -2.0907 H 1 UNL11111111 0.2109 30 H 4.4566 0.5152 -1.0091 H 1 UNL11111111 0.2314 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 10 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 6 21 1 22 6 22 1 23 6 23 1 24 11 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1