@MOLECULE cyclobutyl 3-methylbutanoate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8430 -0.0067 -0.1984 C.3 1 UNL11111111 -0.0373 2 C -3.9638 -1.0335 -0.3911 C.3 1 UNL11111111 -0.4571 3 C -3.0689 0.7949 1.0867 C.3 1 UNL11111111 -0.4582 4 C -1.4846 -0.7314 -0.1487 C.3 1 UNL11111111 -0.3691 5 C -0.3547 0.2478 -0.2332 C.2 1 UNL11111111 0.6153 6 O -0.3584 1.3629 -0.6841 O.2 1 UNL11111111 -0.5089 7 O 0.7647 -0.3238 0.2871 O.3 1 UNL11111111 -0.4548 8 C 1.9655 0.4276 0.2516 C.3 1 UNL11111111 0.1437 9 C 2.9995 -0.3157 1.1367 C.3 1 UNL11111111 -0.3086 10 C 3.8722 -0.5772 -0.1211 C.3 1 UNL11111111 -0.2668 11 C 2.8082 0.1173 -1.0131 C.3 1 UNL11111111 -0.3206 12 H -2.8397 0.7000 -1.0675 H 1 UNL11111111 0.1512 13 H -4.9424 -0.5419 -0.4408 H 1 UNL11111111 0.1478 14 H -3.8379 -1.6006 -1.3195 H 1 UNL11111111 0.1430 15 H -4.0015 -1.7503 0.4365 H 1 UNL11111111 0.1457 16 H -2.2934 1.5614 1.2152 H 1 UNL11111111 0.1557 17 H -4.0334 1.3145 1.0651 H 1 UNL11111111 0.1468 18 H -3.0583 0.1556 1.9751 H 1 UNL11111111 0.1437 19 H -1.4023 -1.3469 0.7718 H 1 UNL11111111 0.1799 20 H -1.3972 -1.4519 -0.9903 H 1 UNL11111111 0.1765 21 H 1.7726 1.4840 0.4738 H 1 UNL11111111 0.1429 22 H 3.4654 0.2986 1.9081 H 1 UNL11111111 0.1453 23 H 2.6048 -1.2212 1.6093 H 1 UNL11111111 0.1593 24 H 4.8443 -0.0790 -0.1085 H 1 UNL11111111 0.1392 25 H 4.0325 -1.6338 -0.3472 H 1 UNL11111111 0.1414 26 H 2.3109 -0.5470 -1.7249 H 1 UNL11111111 0.1550 27 H 3.1581 0.9970 -1.5564 H 1 UNL11111111 0.1491 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 8 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 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