@MOLECULE cyclobutyl 3,3-dimethylbutanoate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8422 1.0847 -0.9497 C.3 1 UNL11111111 -0.9878 2 C -2.6380 -0.1744 -0.0987 C.3 1 UNL11111111 0.8268 3 C -2.8832 0.1428 1.3813 C.3 1 UNL11111111 -0.9849 4 C -3.6282 -1.2617 -0.5556 C.3 1 UNL11111111 -1.1085 5 C -1.2065 -0.7279 -0.2971 C.3 1 UNL11111111 -0.3859 6 C -0.1274 0.2124 0.1413 C.2 1 UNL11111111 0.2096 7 O -0.1950 1.3513 0.5216 O.2 1 UNL11111111 -0.3620 8 O 1.0643 -0.4427 0.0471 O.3 1 UNL11111111 -0.1705 9 C 2.2451 0.2624 0.3832 C.3 1 UNL11111111 0.1127 10 C 3.3215 -0.7866 0.7673 C.3 1 UNL11111111 -0.5671 11 C 4.1537 -0.3726 -0.4764 C.3 1 UNL11111111 -0.1471 12 C 3.0504 0.6392 -0.8885 C.3 1 UNL11111111 -0.5447 13 H -2.1628 1.8909 -0.6367 H 1 UNL11111111 0.2736 14 H -2.6605 0.8933 -2.0111 H 1 UNL11111111 0.2408 15 H -3.8620 1.4708 -0.8517 H 1 UNL11111111 0.2496 16 H -3.9106 0.4823 1.5501 H 1 UNL11111111 0.2540 17 H -2.7130 -0.7296 2.0185 H 1 UNL11111111 0.2702 18 H -2.2197 0.9461 1.7315 H 1 UNL11111111 0.2751 19 H -3.4887 -1.5181 -1.6103 H 1 UNL11111111 0.2626 20 H -3.5202 -2.1795 0.0307 H 1 UNL11111111 0.2913 21 H -4.6629 -0.9210 -0.4381 H 1 UNL11111111 0.3027 22 H -1.0969 -1.6912 0.2477 H 1 UNL11111111 0.1950 23 H -1.0472 -0.9835 -1.3676 H 1 UNL11111111 0.1895 24 H 2.0460 1.0671 1.1018 H 1 UNL11111111 0.1628 25 H 3.8042 -0.6148 1.7300 H 1 UNL11111111 0.2272 26 H 2.9578 -1.8191 0.7439 H 1 UNL11111111 0.2448 27 H 5.1192 0.0818 -0.2444 H 1 UNL11111111 0.1346 28 H 4.3191 -1.1782 -1.1953 H 1 UNL11111111 0.1363 29 H 2.5393 0.3949 -1.8236 H 1 UNL11111111 0.2097 30 H 3.3694 1.6815 -0.9359 H 1 UNL11111111 0.1893 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 9 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 9 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