@MOLECULE (1-methylcyclobutyl) butanoate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4918 -0.6049 0.1301 C.3 1 UNL11111111 -0.4393 2 C 3.2242 0.1382 -0.2831 C.3 1 UNL11111111 -0.2299 3 C 1.9881 -0.5027 0.3547 C.3 1 UNL11111111 -0.3522 4 C 0.7496 0.2294 -0.0700 C.2 1 UNL11111111 0.6211 5 O 0.6631 1.1551 -0.8334 O.2 1 UNL11111111 -0.5149 6 O -0.3205 -0.3268 0.5484 O.3 1 UNL11111111 -0.4722 7 C -1.6191 0.1984 0.3074 C.3 1 UNL11111111 0.3212 8 C -1.7573 1.5657 0.9268 C.3 1 UNL11111111 -0.5011 9 C -2.0891 0.0196 -1.1625 C.3 1 UNL11111111 -0.3270 10 C -3.0954 -1.0669 -0.7009 C.3 1 UNL11111111 -0.2695 11 C -2.6101 -0.9127 0.7650 C.3 1 UNL11111111 -0.3182 12 H 4.4695 -1.6521 -0.1913 H 1 UNL11111111 0.1433 13 H 5.3816 -0.1458 -0.3169 H 1 UNL11111111 0.1448 14 H 4.6311 -0.5947 1.2169 H 1 UNL11111111 0.1431 15 H 3.2897 1.2065 0.0059 H 1 UNL11111111 0.1492 16 H 3.1217 0.1445 -1.3874 H 1 UNL11111111 0.1512 17 H 1.9066 -1.5737 0.0714 H 1 UNL11111111 0.1770 18 H 2.0674 -0.5011 1.4626 H 1 UNL11111111 0.1772 19 H -1.1325 2.3030 0.3979 H 1 UNL11111111 0.1786 20 H -2.7922 1.9247 0.8875 H 1 UNL11111111 0.1593 21 H -1.4423 1.5620 1.9779 H 1 UNL11111111 0.1606 22 H -2.5349 0.9106 -1.6091 H 1 UNL11111111 0.1530 23 H -1.3084 -0.3348 -1.8411 H 1 UNL11111111 0.1591 24 H -4.1446 -0.8081 -0.8589 H 1 UNL11111111 0.1391 25 H -2.9199 -2.0556 -1.1316 H 1 UNL11111111 0.1415 26 H -2.1168 -1.7991 1.1761 H 1 UNL11111111 0.1585 27 H -3.3676 -0.5822 1.4760 H 1 UNL11111111 0.1467 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 7 11 1 12 1 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 8 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1