@MOLECULE [(2R)-2-methylbutanoyl] (1S,2S)-2-methylcyclobutanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4593 0.2037 0.1535 C.3 1 UNL11111111 0.2008 2 H 3.4778 1.0977 -0.5001 H 1 UNL11111111 0.1231 3 C 4.3149 0.4168 1.3830 C.3 1 UNL11111111 -0.8545 4 C 3.7323 -1.1175 -0.6252 C.3 1 UNL11111111 -0.5070 5 C 2.2825 -1.5889 -0.3479 C.3 1 UNL11111111 -0.4888 6 C 2.0058 -0.2885 0.4580 C.3 1 UNL11111111 -0.2263 7 H 1.8043 -0.4651 1.5294 H 1 UNL11111111 0.2157 8 C 0.9479 0.5692 -0.1547 C.2 1 UNL11111111 0.4916 9 O 1.0662 1.5445 -0.8325 O.2 1 UNL11111111 -0.3516 10 O -0.2731 0.0167 0.1611 O.3 1 UNL11111111 -0.3766 11 C -1.4873 0.5799 -0.1666 C.2 1 UNL11111111 0.3105 12 O -1.6036 1.6952 -0.5718 O.2 1 UNL11111111 -0.2860 13 C -2.5566 -0.4515 0.1155 C.3 1 UNL11111111 0.0204 14 H -2.2467 -1.0797 0.9900 H 1 UNL11111111 0.2245 15 C -2.6807 -1.3360 -1.1256 C.3 1 UNL11111111 -1.1637 16 C -3.8676 0.2808 0.4455 C.3 1 UNL11111111 -0.2557 17 C -4.8625 -0.6442 1.1418 C.3 1 UNL11111111 -0.6916 18 H 5.3498 0.6572 1.1068 H 1 UNL11111111 0.2292 19 H 3.9393 1.2502 1.9912 H 1 UNL11111111 0.2488 20 H 4.3472 -0.4708 2.0256 H 1 UNL11111111 0.2505 21 H 3.9697 -0.9740 -1.6823 H 1 UNL11111111 0.1967 22 H 4.5075 -1.7508 -0.1892 H 1 UNL11111111 0.2295 23 H 1.6646 -1.7141 -1.2419 H 1 UNL11111111 0.2124 24 H 2.2033 -2.5043 0.2444 H 1 UNL11111111 0.2382 25 H -1.7450 -1.8704 -1.3337 H 1 UNL11111111 0.3368 26 H -3.4665 -2.0898 -0.9937 H 1 UNL11111111 0.3585 27 H -2.9375 -0.7518 -2.0191 H 1 UNL11111111 0.3218 28 H -3.6603 1.1590 1.0910 H 1 UNL11111111 0.1986 29 H -4.3109 0.7011 -0.4797 H 1 UNL11111111 0.1711 30 H -5.1247 -1.5040 0.5153 H 1 UNL11111111 0.2205 31 H -4.4625 -1.0327 2.0854 H 1 UNL11111111 0.1969 32 H -5.7943 -0.1151 1.3763 H 1 UNL11111111 0.2055 @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 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 16 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 15 25 1 26 15 26 1 27 15 27 1 28 16 28 1 29 16 29 1 30 17 30 1 31 17 31 1 32 17 32 1