@MOLECULE 3-isobutoxy-1,1-dimethyl-cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.1791 0.0039 -1.0314 C.3 1 UNL11111111 -0.3733 2 C -2.3524 -0.2285 -0.0230 C.3 1 UNL11111111 0.1153 3 C -3.7146 0.1520 -0.5787 C.3 1 UNL11111111 -0.4653 4 C -2.3696 -1.6229 0.5799 C.3 1 UNL11111111 -0.4631 5 C -1.7375 0.8506 0.9270 C.3 1 UNL11111111 -0.3373 6 C -0.5881 1.0869 -0.0865 C.3 1 UNL11111111 0.1162 7 O 0.6000 0.6880 0.5446 O.3 1 UNL11111111 -0.4123 8 C 1.7652 0.8465 -0.2572 C.3 1 UNL11111111 -0.0578 9 C 2.7499 -0.2026 0.2906 C.3 1 UNL11111111 -0.0800 10 C 2.3573 -1.5984 -0.2001 C.3 1 UNL11111111 -0.4497 11 C 4.1736 0.1506 -0.1456 C.3 1 UNL11111111 -0.4559 12 H -0.5280 -0.8631 -1.1651 H 1 UNL11111111 0.1560 13 H -1.4817 0.3612 -2.0139 H 1 UNL11111111 0.1423 14 H -4.0298 -0.5426 -1.3661 H 1 UNL11111111 0.1476 15 H -4.4824 0.1348 0.2035 H 1 UNL11111111 0.1481 16 H -3.7111 1.1585 -1.0116 H 1 UNL11111111 0.1455 17 H -1.3894 -1.8916 0.9949 H 1 UNL11111111 0.1539 18 H -3.0994 -1.6962 1.3942 H 1 UNL11111111 0.1473 19 H -2.6279 -2.3790 -0.1695 H 1 UNL11111111 0.1459 20 H -2.3681 1.7179 1.1164 H 1 UNL11111111 0.1441 21 H -1.3939 0.4601 1.8904 H 1 UNL11111111 0.1626 22 H -0.4983 2.0966 -0.5017 H 1 UNL11111111 0.1146 23 H 1.5470 0.6881 -1.3247 H 1 UNL11111111 0.1188 24 H 2.1276 1.8779 -0.1051 H 1 UNL11111111 0.1182 25 H 2.6878 -0.1840 1.4080 H 1 UNL11111111 0.1486 26 H 1.3174 -1.8216 0.0742 H 1 UNL11111111 0.1540 27 H 2.4407 -1.6868 -1.2875 H 1 UNL11111111 0.1399 28 H 2.9905 -2.3715 0.2466 H 1 UNL11111111 0.1418 29 H 4.4830 1.1270 0.2430 H 1 UNL11111111 0.1430 30 H 4.8919 -0.5903 0.2241 H 1 UNL11111111 0.1473 31 H 4.2675 0.1791 -1.2364 H 1 UNL11111111 0.1437 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 1 12 1 13 1 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 6 22 1 23 8 23 1 24 8 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 11 31 1