@MOLECULE 4,4-dimethyl-1-[(1S,2R)-2-methylcyclobutyl]pentan-1-one 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7803 -1.4879 -0.7324 C.3 1 UNL11111111 -0.4661 2 C -2.8689 -0.1349 -0.0084 C.3 1 UNL11111111 0.1316 3 C -3.4626 0.9196 -0.9542 C.3 1 UNL11111111 -0.4656 4 C -3.7913 -0.2851 1.2163 C.3 1 UNL11111111 -0.4698 5 C -1.4783 0.3054 0.5000 C.3 1 UNL11111111 -0.2781 6 C -0.4521 0.5211 -0.6155 C.3 1 UNL11111111 -0.3853 7 C 0.8855 0.8974 -0.0225 C.2 1 UNL11111111 0.4789 8 O 0.9691 1.5907 0.9602 O.2 1 UNL11111111 -0.4606 9 C 2.0957 0.3780 -0.7450 C.3 1 UNL11111111 -0.2622 10 H 1.9983 0.5435 -1.8308 H 1 UNL11111111 0.1539 11 C 2.4818 -1.1007 -0.3895 C.3 1 UNL11111111 -0.0649 12 H 2.5805 -1.7251 -1.2939 H 1 UNL11111111 0.1324 13 C 1.6164 -1.7908 0.6445 C.3 1 UNL11111111 -0.4633 14 C 3.8536 -0.5996 0.1527 C.3 1 UNL11111111 -0.2942 15 C 3.4580 0.8600 -0.1788 C.3 1 UNL11111111 -0.2596 16 H -2.2063 -1.4140 -1.6610 H 1 UNL11111111 0.1416 17 H -2.3026 -2.2455 -0.1033 H 1 UNL11111111 0.1435 18 H -3.7759 -1.8595 -0.9972 H 1 UNL11111111 0.1434 19 H -4.4952 0.6736 -1.2223 H 1 UNL11111111 0.1428 20 H -3.4704 1.9111 -0.4889 H 1 UNL11111111 0.1477 21 H -2.8949 0.9931 -1.8865 H 1 UNL11111111 0.1417 22 H -3.4099 -1.0373 1.9140 H 1 UNL11111111 0.1448 23 H -3.8850 0.6587 1.7640 H 1 UNL11111111 0.1472 24 H -4.7987 -0.5934 0.9203 H 1 UNL11111111 0.1434 25 H -1.5764 1.2415 1.0890 H 1 UNL11111111 0.1597 26 H -1.0953 -0.4480 1.2157 H 1 UNL11111111 0.1416 27 H -0.3684 -0.3820 -1.2488 H 1 UNL11111111 0.1595 28 H -0.7830 1.3382 -1.2901 H 1 UNL11111111 0.1701 29 H 0.6168 -2.0161 0.2537 H 1 UNL11111111 0.1487 30 H 2.0660 -2.7386 0.9650 H 1 UNL11111111 0.1509 31 H 1.4865 -1.1745 1.5455 H 1 UNL11111111 0.1612 32 H 4.0171 -0.7910 1.2162 H 1 UNL11111111 0.1469 33 H 4.7193 -0.9747 -0.3953 H 1 UNL11111111 0.1366 34 H 4.1009 1.3582 -0.9064 H 1 UNL11111111 0.1366 35 H 3.3663 1.5130 0.6989 H 1 UNL11111111 0.1650 @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 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1