@MOLECULE (2R)-1-(3,3-dimethylcyclobutyl)-2-methyl-pentan-1-one 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3640 -0.8200 -0.5241 C.3 1 UNL11111111 -0.7965 2 C 2.6791 0.5885 0.0723 C.3 1 UNL11111111 0.8606 3 C 3.9938 0.6495 0.8301 C.3 1 UNL11111111 -1.0153 4 C 2.5649 1.7201 -0.9342 C.3 1 UNL11111111 -0.9382 5 C 1.4260 0.4542 1.0007 C.3 1 UNL11111111 -0.9893 6 C 1.1240 -0.9449 0.3995 C.3 1 UNL11111111 -0.0495 7 C -0.1859 -1.0360 -0.3301 C.2 1 UNL11111111 0.4644 8 O -0.2489 -1.3578 -1.4897 O.2 1 UNL11111111 -0.3366 9 C -1.4408 -0.7179 0.4708 C.3 1 UNL11111111 -0.2120 10 H -1.1697 -0.3006 1.4688 H 1 UNL11111111 0.2256 11 C -2.2122 -2.0244 0.6614 C.3 1 UNL11111111 -0.8523 12 C -2.2495 0.3274 -0.3141 C.3 1 UNL11111111 -0.6153 13 C -3.3681 0.9390 0.5371 C.3 1 UNL11111111 0.1247 14 C -4.0982 2.0344 -0.2403 C.3 1 UNL11111111 -0.8840 15 H 2.1268 -0.8207 -1.5942 H 1 UNL11111111 0.2493 16 H 3.1342 -1.5735 -0.3549 H 1 UNL11111111 0.2591 17 H 4.8488 0.5954 0.1456 H 1 UNL11111111 0.2579 18 H 4.0851 1.5824 1.3977 H 1 UNL11111111 0.2654 19 H 4.0928 -0.1781 1.5417 H 1 UNL11111111 0.2761 20 H 1.6187 1.6761 -1.4885 H 1 UNL11111111 0.2437 21 H 2.6145 2.6984 -0.4433 H 1 UNL11111111 0.2470 22 H 3.3737 1.6790 -1.6735 H 1 UNL11111111 0.2522 23 H 1.6531 0.4457 2.0682 H 1 UNL11111111 0.2999 24 H 0.6565 1.2093 0.8259 H 1 UNL11111111 0.3276 25 H 1.2028 -1.7677 1.1313 H 1 UNL11111111 0.2013 26 H -2.4737 -2.4768 -0.3056 H 1 UNL11111111 0.2978 27 H -1.6278 -2.7613 1.2233 H 1 UNL11111111 0.2416 28 H -3.1477 -1.8571 1.2070 H 1 UNL11111111 0.2558 29 H -1.5758 1.1285 -0.6761 H 1 UNL11111111 0.1922 30 H -2.6703 -0.1358 -1.2289 H 1 UNL11111111 0.2383 31 H -4.0844 0.1539 0.8450 H 1 UNL11111111 0.0955 32 H -2.9521 1.3545 1.4739 H 1 UNL11111111 0.0793 33 H -4.9218 2.4561 0.3458 H 1 UNL11111111 0.2189 34 H -3.4249 2.8583 -0.5022 H 1 UNL11111111 0.2599 35 H -4.5236 1.6473 -1.1734 H 1 UNL11111111 0.2550 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 13 14 1 15 1 15 1 16 1 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 11 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1