@MOLECULE 1-(3-methylcyclobutyl)hexan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2773 -1.1398 -0.1493 C.3 1 UNL11111111 -0.0171 2 C -3.5333 -0.3470 -0.6230 C.3 1 UNL11111111 0.3413 3 H -3.5229 -0.1445 -1.7079 H 1 UNL11111111 0.1110 4 C -4.8594 -0.9439 -0.1988 C.3 1 UNL11111111 -1.4273 5 C -3.0656 0.8757 0.2195 C.3 1 UNL11111111 -0.4365 6 C -1.8187 0.0827 0.6946 C.3 1 UNL11111111 -0.3684 7 H -1.8146 -0.1089 1.7807 H 1 UNL11111111 0.1683 8 C -0.4989 0.6556 0.2553 C.2 1 UNL11111111 0.4719 9 O -0.4175 1.7104 -0.3205 O.2 1 UNL11111111 -0.5012 10 C 0.7191 -0.1673 0.5981 C.3 1 UNL11111111 -0.1988 11 C 1.9615 0.3648 -0.1214 C.3 1 UNL11111111 -0.2626 12 C 3.2096 -0.4263 0.2837 C.3 1 UNL11111111 -0.5613 13 C 4.4331 0.0513 -0.5104 C.3 1 UNL11111111 -0.0722 14 C 5.6952 -0.6874 -0.0650 C.3 1 UNL11111111 -0.6252 15 H -2.4986 -2.0327 0.4389 H 1 UNL11111111 0.0598 16 H -1.5986 -1.4236 -0.9569 H 1 UNL11111111 0.0696 17 H -4.8905 -1.1533 0.8769 H 1 UNL11111111 0.4370 18 H -5.6893 -0.2615 -0.4213 H 1 UNL11111111 0.3747 19 H -5.0581 -1.8866 -0.7223 H 1 UNL11111111 0.3192 20 H -2.8297 1.7686 -0.3720 H 1 UNL11111111 0.1934 21 H -3.7462 1.1713 1.0193 H 1 UNL11111111 0.1550 22 H 0.8742 -0.1493 1.6959 H 1 UNL11111111 0.0545 23 H 0.5491 -1.2306 0.3388 H 1 UNL11111111 0.1464 24 H 1.8111 0.3187 -1.2173 H 1 UNL11111111 0.2954 25 H 2.0958 1.4420 0.1058 H 1 UNL11111111 0.0728 26 H 3.3962 -0.3124 1.3678 H 1 UNL11111111 0.2674 27 H 3.0514 -1.5072 0.1142 H 1 UNL11111111 0.1791 28 H 4.2660 -0.1043 -1.5932 H 1 UNL11111111 0.0676 29 H 4.5676 1.1421 -0.3795 H 1 UNL11111111 0.1468 30 H 5.8904 -0.5390 1.0030 H 1 UNL11111111 0.1606 31 H 5.6110 -1.7656 -0.2389 H 1 UNL11111111 0.2096 32 H 6.5764 -0.3340 -0.6121 H 1 UNL11111111 0.1693 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 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 1 13 12 13 1 14 13 14 1 15 1 15 1 16 1 16 1 17 4 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 14 32 1