@MOLECULE 5-methyl-1-(2-methylcyclopropyl)-1-hexanone 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.6711 -0.1083 0.2729 C.3 1 UNL11111111 0.3190 2 C 3.8439 -1.5534 -0.2094 C.3 1 UNL11111111 -1.0567 3 C 4.9336 0.7031 -0.0476 C.3 1 UNL11111111 -1.0158 4 C 2.4463 0.5496 -0.3924 C.3 1 UNL11111111 -0.5551 5 C 1.1370 0.0605 0.2356 C.3 1 UNL11111111 -0.1159 6 C -0.0697 0.6780 -0.4770 C.3 1 UNL11111111 -0.6717 7 C -1.3542 0.3521 0.2435 C.2 1 UNL11111111 0.5525 8 O -1.3660 -0.2212 1.3051 O.2 1 UNL11111111 -0.3379 9 C -2.6036 0.7965 -0.4348 C.3 1 UNL11111111 -0.4012 10 H -2.4389 1.5648 -1.1971 H 1 UNL11111111 0.2134 11 C -3.8874 0.8562 0.3719 C.3 1 UNL11111111 -0.5126 12 C -3.7325 -0.2076 -0.6824 C.3 1 UNL11111111 -0.0158 13 H -4.2872 -0.0876 -1.6229 H 1 UNL11111111 0.1922 14 C -3.5909 -1.6488 -0.2816 C.3 1 UNL11111111 -0.8640 15 H 3.5219 -0.1135 1.3800 H 1 UNL11111111 0.1261 16 H 4.6821 -2.0431 0.2974 H 1 UNL11111111 0.2826 17 H 2.9465 -2.1504 -0.0118 H 1 UNL11111111 0.2960 18 H 4.0379 -1.5968 -1.2860 H 1 UNL11111111 0.3035 19 H 5.0820 0.8027 -1.1277 H 1 UNL11111111 0.2857 20 H 4.8786 1.7117 0.3748 H 1 UNL11111111 0.2628 21 H 5.8281 0.2237 0.3640 H 1 UNL11111111 0.2872 22 H 2.5166 1.6494 -0.2939 H 1 UNL11111111 0.2003 23 H 2.4527 0.3431 -1.4776 H 1 UNL11111111 0.2280 24 H 1.0717 -1.0439 0.1975 H 1 UNL11111111 0.1123 25 H 1.1087 0.3133 1.3149 H 1 UNL11111111 0.1294 26 H 0.0446 1.7796 -0.5410 H 1 UNL11111111 0.2506 27 H -0.1221 0.3184 -1.5241 H 1 UNL11111111 0.2308 28 H -3.8533 0.5745 1.4258 H 1 UNL11111111 0.2652 29 H -4.5741 1.6832 0.2236 H 1 UNL11111111 0.2196 30 H -4.5748 -2.1121 -0.1295 H 1 UNL11111111 0.2671 31 H -3.0615 -2.2311 -1.0459 H 1 UNL11111111 0.2526 32 H -3.0330 -1.7695 0.6611 H 1 UNL11111111 0.2698 @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 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 12 13 1 13 9 12 1 14 12 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 11 28 1 29 11 29 1 30 14 30 1 31 14 31 1 32 14 32 1