@MOLECULE isopentyl 1-methylcyclopropanecarboxylate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5845 -0.3264 -1.0056 C.3 1 UNL11111111 -0.5048 2 C -3.9140 0.3245 0.3090 C.3 1 UNL11111111 -0.4815 3 C -2.5722 -0.3692 0.1305 C.3 1 UNL11111111 0.3259 4 C -2.2929 -1.6604 0.8446 C.3 1 UNL11111111 -1.0629 5 C -1.3875 0.5216 -0.0227 C.2 1 UNL11111111 0.2191 6 O -1.3922 1.7133 -0.2081 O.2 1 UNL11111111 -0.3704 7 O -0.2388 -0.1897 0.0602 O.3 1 UNL11111111 -0.0855 8 C 0.9805 0.5582 -0.0720 C.3 1 UNL11111111 -0.3973 9 C 2.0571 -0.5232 -0.1264 C.3 1 UNL11111111 -0.4390 10 C 3.4548 0.0930 -0.3084 C.3 1 UNL11111111 0.3197 11 C 3.8941 0.8445 0.9533 C.3 1 UNL11111111 -0.9327 12 C 4.4620 -1.0192 -0.6286 C.3 1 UNL11111111 -1.0969 13 H -4.0821 -1.2450 -1.3043 H 1 UNL11111111 0.2376 14 H -3.3870 0.2948 -1.8777 H 1 UNL11111111 0.2136 15 H -3.9428 1.4131 0.3770 H 1 UNL11111111 0.2132 16 H -4.6551 -0.1149 0.9701 H 1 UNL11111111 0.2396 17 H -3.1911 -2.2813 0.9473 H 1 UNL11111111 0.3336 18 H -1.5387 -2.2583 0.3092 H 1 UNL11111111 0.3048 19 H -1.8990 -1.4808 1.8556 H 1 UNL11111111 0.3171 20 H 0.9360 1.1687 -0.9905 H 1 UNL11111111 0.1887 21 H 1.0693 1.2200 0.8062 H 1 UNL11111111 0.2157 22 H 2.0213 -1.1412 0.7909 H 1 UNL11111111 0.2400 23 H 1.8354 -1.2217 -0.9577 H 1 UNL11111111 0.1983 24 H 3.4286 0.8095 -1.1656 H 1 UNL11111111 0.1126 25 H 3.8978 0.1888 1.8307 H 1 UNL11111111 0.2935 26 H 4.9067 1.2476 0.8417 H 1 UNL11111111 0.2505 27 H 3.2308 1.6876 1.1734 H 1 UNL11111111 0.2458 28 H 4.2046 -1.5387 -1.5576 H 1 UNL11111111 0.2808 29 H 5.4733 -0.6158 -0.7488 H 1 UNL11111111 0.3000 30 H 4.5007 -1.7677 0.1704 H 1 UNL11111111 0.3209 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 3 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 4 17 1 18 4 18 1 19 4 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 12 30 1