@MOLECULE (1-methylcyclopropyl) hexanoate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.7396 0.3064 -0.1394 C.3 1 UNL11111111 -0.7856 2 C 4.4339 -0.4056 0.2128 C.3 1 UNL11111111 -0.1518 3 C 3.2211 0.4468 -0.1849 C.3 1 UNL11111111 -0.3310 4 C 1.9170 -0.2781 0.1647 C.3 1 UNL11111111 -0.4118 5 C 0.7055 0.5695 -0.2324 C.3 1 UNL11111111 -0.3839 6 C -0.5626 -0.1597 0.0977 C.2 1 UNL11111111 0.4938 7 O -0.6966 -1.1958 0.6895 O.2 1 UNL11111111 -0.4015 8 O -1.6112 0.5569 -0.3979 O.3 1 UNL11111111 -0.3234 9 C -2.9093 0.0427 -0.2264 C.3 1 UNL11111111 0.4353 10 C -3.1768 -1.1311 -1.1130 C.3 1 UNL11111111 -1.1142 11 C -3.5220 0.2081 1.1457 C.3 1 UNL11111111 -0.5538 12 C -3.9018 1.1563 0.0279 C.3 1 UNL11111111 -0.4914 13 H 6.6099 -0.2898 0.1570 H 1 UNL11111111 0.2231 14 H 5.8189 0.4897 -1.2166 H 1 UNL11111111 0.2290 15 H 5.8182 1.2753 0.3662 H 1 UNL11111111 0.2259 16 H 4.3907 -1.3879 -0.2951 H 1 UNL11111111 0.1364 17 H 4.4037 -0.6249 1.2972 H 1 UNL11111111 0.1456 18 H 3.2651 1.4254 0.3285 H 1 UNL11111111 0.1781 19 H 3.2575 0.6698 -1.2677 H 1 UNL11111111 0.1737 20 H 1.8752 -1.2624 -0.3429 H 1 UNL11111111 0.2055 21 H 1.8807 -0.5095 1.2483 H 1 UNL11111111 0.1831 22 H 0.7196 1.5513 0.2875 H 1 UNL11111111 0.2120 23 H 0.7308 0.8141 -1.3162 H 1 UNL11111111 0.2122 24 H -2.6097 -2.0146 -0.7743 H 1 UNL11111111 0.3366 25 H -4.2385 -1.4074 -1.1226 H 1 UNL11111111 0.3370 26 H -2.8769 -0.9236 -2.1501 H 1 UNL11111111 0.3082 27 H -4.2360 -0.5241 1.5097 H 1 UNL11111111 0.2443 28 H -2.9068 0.5645 1.9674 H 1 UNL11111111 0.2180 29 H -3.5513 2.1852 0.0584 H 1 UNL11111111 0.2261 30 H -4.8901 1.1098 -0.4170 H 1 UNL11111111 0.2247 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 9 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 10 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1