@MOLECULE 1-cyclobutyl-5-methyl-1-hexanone 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.0188 1.3658 0.1724 C.3 1 UNL11111111 -0.0923 2 C 4.2737 0.6447 0.7317 C.3 1 UNL11111111 -0.2406 3 C 3.8964 -0.6303 -0.0659 C.3 1 UNL11111111 -0.3020 4 C 2.6532 0.0959 -0.6499 C.3 1 UNL11111111 -0.0298 5 C 1.3286 -0.5081 -0.2722 C.2 1 UNL11111111 -0.0410 6 O 1.2462 -1.5614 0.3064 O.2 1 UNL11111111 -0.3193 7 C 0.1075 0.2763 -0.6865 C.3 1 UNL11111111 -0.0651 8 C -1.1239 -0.1754 0.1041 C.3 1 UNL11111111 0.1774 9 C -2.3729 0.5849 -0.3529 C.3 1 UNL11111111 -1.2975 10 C -3.6227 0.1463 0.4350 C.3 1 UNL11111111 0.5519 11 C -4.7699 1.1309 0.1699 C.3 1 UNL11111111 -0.8286 12 C -4.0544 -1.2709 0.0404 C.3 1 UNL11111111 -0.9929 13 H 2.2857 1.6450 0.9339 H 1 UNL11111111 0.1286 14 H 3.2330 2.2474 -0.4355 H 1 UNL11111111 0.0569 15 H 5.2240 1.0975 0.4417 H 1 UNL11111111 0.1002 16 H 4.2748 0.5151 1.8168 H 1 UNL11111111 0.1348 17 H 4.6307 -0.9416 -0.8107 H 1 UNL11111111 0.1109 18 H 3.6518 -1.5006 0.5559 H 1 UNL11111111 0.1855 19 H 2.7106 0.2459 -1.7410 H 1 UNL11111111 0.1133 20 H 0.2758 1.3622 -0.5534 H 1 UNL11111111 0.0793 21 H -0.0620 0.1303 -1.7735 H 1 UNL11111111 0.0803 22 H -1.2657 -1.2688 -0.0194 H 1 UNL11111111 0.0189 23 H -0.9549 -0.0267 1.1877 H 1 UNL11111111 0.1993 24 H -2.2166 1.6723 -0.2226 H 1 UNL11111111 0.3275 25 H -2.5405 0.4316 -1.4344 H 1 UNL11111111 0.4091 26 H -3.3845 0.1598 1.5260 H 1 UNL11111111 0.0383 27 H -5.0297 1.1653 -0.8935 H 1 UNL11111111 0.2431 28 H -5.6729 0.8430 0.7189 H 1 UNL11111111 0.2132 29 H -4.5067 2.1470 0.4811 H 1 UNL11111111 0.2253 30 H -4.9538 -1.5774 0.5847 H 1 UNL11111111 0.2544 31 H -4.2761 -1.3401 -1.0297 H 1 UNL11111111 0.2718 32 H -3.2712 -2.0047 0.2627 H 1 UNL11111111 0.2892 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 7 20 1 21 7 21 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 12 32 1