@MOLECULE (2S)-2-methyl-1-[(1S,2R)-2-methylcyclobutyl]pentan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.6255 0.6518 -0.2984 C.3 1 UNL11111111 -0.0008 2 H -2.9526 1.3008 -1.1294 H 1 UNL11111111 0.1221 3 C -2.3718 1.4701 0.9490 C.3 1 UNL11111111 -0.6732 4 C -3.5648 -0.5723 -0.0846 C.3 1 UNL11111111 -0.4903 5 C -2.4210 -1.5296 -0.4989 C.3 1 UNL11111111 -0.4843 6 C -1.4777 -0.3197 -0.7508 C.3 1 UNL11111111 0.1498 7 H -1.2252 -0.1891 -1.8156 H 1 UNL11111111 0.0480 8 C -0.2477 -0.3188 0.1114 C.2 1 UNL11111111 0.5998 9 O -0.2508 -0.7561 1.2347 O.2 1 UNL11111111 -0.4859 10 C 1.0230 0.2439 -0.5127 C.3 1 UNL11111111 -0.5240 11 H 1.0961 -0.1032 -1.5715 H 1 UNL11111111 0.2680 12 C 0.9275 1.7705 -0.4829 C.3 1 UNL11111111 -0.6771 13 C 2.2460 -0.2657 0.2641 C.3 1 UNL11111111 -0.4175 14 C 3.5506 -0.0107 -0.4997 C.3 1 UNL11111111 0.0604 15 C 4.7527 -0.4901 0.3140 C.3 1 UNL11111111 -0.8592 16 H -2.0338 0.8406 1.7871 H 1 UNL11111111 0.1663 17 H -1.6025 2.2333 0.7871 H 1 UNL11111111 0.1581 18 H -3.2845 1.9816 1.2779 H 1 UNL11111111 0.2210 19 H -3.9084 -0.7025 0.9451 H 1 UNL11111111 0.2130 20 H -4.4381 -0.5914 -0.7384 H 1 UNL11111111 0.1843 21 H -2.0844 -2.1940 0.3067 H 1 UNL11111111 0.2730 22 H -2.6235 -2.1360 -1.3833 H 1 UNL11111111 0.1670 23 H 1.8145 2.2297 -0.9365 H 1 UNL11111111 0.2443 24 H 0.0513 2.1327 -1.0327 H 1 UNL11111111 0.1836 25 H 0.8598 2.1474 0.5458 H 1 UNL11111111 0.2335 26 H 2.2818 0.2071 1.2646 H 1 UNL11111111 0.1736 27 H 2.1346 -1.3500 0.4666 H 1 UNL11111111 0.2552 28 H 3.5259 -0.5270 -1.4776 H 1 UNL11111111 0.0890 29 H 3.6575 1.0665 -0.7275 H 1 UNL11111111 0.1021 30 H 4.8346 0.0523 1.2629 H 1 UNL11111111 0.2544 31 H 4.6767 -1.5574 0.5516 H 1 UNL11111111 0.2311 32 H 5.6892 -0.3399 -0.2333 H 1 UNL11111111 0.2146 @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 10 12 1 13 10 13 1 14 13 14 1 15 14 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 12 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 32 15 32 1