@MOLECULE (1S,2R)-1-isobutoxy-2-methyl-cyclobutane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2853 0.0270 -0.3719 C.3 1 UNL11111111 -0.0790 2 C -3.5051 -0.8971 -0.4059 C.3 1 UNL11111111 -0.4548 3 C -2.6655 1.4168 0.1427 C.3 1 UNL11111111 -0.4477 4 C -1.1980 -0.5928 0.5243 C.3 1 UNL11111111 -0.0638 5 O -0.0319 0.1702 0.2296 O.3 1 UNL11111111 -0.3980 6 C 1.1469 -0.3996 0.7283 C.3 1 UNL11111111 0.0894 7 H 1.0560 -0.6317 1.7954 H 1 UNL11111111 0.1139 8 C 2.3461 0.5251 0.3313 C.3 1 UNL11111111 -0.1070 9 H 2.9940 0.7582 1.1924 H 1 UNL11111111 0.1326 10 C 1.9604 1.7849 -0.4126 C.3 1 UNL11111111 -0.4378 11 C 2.9101 -0.6232 -0.5595 C.3 1 UNL11111111 -0.2850 12 C 1.7172 -1.5332 -0.1724 C.3 1 UNL11111111 -0.3379 13 H -1.8664 0.1287 -1.4041 H 1 UNL11111111 0.1459 14 H -4.3077 -0.4641 -1.0140 H 1 UNL11111111 0.1478 15 H -3.2591 -1.8735 -0.8366 H 1 UNL11111111 0.1421 16 H -3.9121 -1.0659 0.5967 H 1 UNL11111111 0.1443 17 H -1.7729 2.0505 0.2352 H 1 UNL11111111 0.1566 18 H -3.3605 1.9182 -0.5382 H 1 UNL11111111 0.1409 19 H -3.1375 1.3706 1.1289 H 1 UNL11111111 0.1414 20 H -1.4278 -0.4882 1.5972 H 1 UNL11111111 0.1187 21 H -1.0299 -1.6556 0.2842 H 1 UNL11111111 0.1161 22 H 1.4008 2.4701 0.2371 H 1 UNL11111111 0.1507 23 H 2.8407 2.3136 -0.7925 H 1 UNL11111111 0.1404 24 H 1.3043 1.5629 -1.2662 H 1 UNL11111111 0.1596 25 H 2.9612 -0.3799 -1.6234 H 1 UNL11111111 0.1446 26 H 3.8875 -0.9958 -0.2490 H 1 UNL11111111 0.1346 27 H 1.9870 -2.4483 0.3539 H 1 UNL11111111 0.1385 28 H 1.0646 -1.7928 -1.0105 H 1 UNL11111111 0.1527 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 6 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 10 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1