@MOLECULE (2R)-2-methyl-1-[(1R,2R)-2-methylcyclobutyl]butan-1-one 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9037 -0.7316 0.3849 C.3 1 UNL11111111 -0.4375 2 C 2.6482 -0.4818 -0.4482 C.3 1 UNL11111111 -0.2439 3 C 1.5540 0.2238 0.3680 C.3 1 UNL11111111 -0.1988 4 H 1.4501 -0.2872 1.3543 H 1 UNL11111111 0.1508 5 C 1.8676 1.7058 0.5894 C.3 1 UNL11111111 -0.4358 6 C 0.2370 0.1571 -0.3911 C.2 1 UNL11111111 0.4540 7 O 0.1968 0.2248 -1.5936 O.2 1 UNL11111111 -0.4538 8 C -0.9975 0.0059 0.4488 C.3 1 UNL11111111 -0.2655 9 H -0.9256 0.5972 1.3761 H 1 UNL11111111 0.1584 10 C -2.3457 0.2223 -0.3101 C.3 1 UNL11111111 -0.0656 11 H -2.1929 0.4100 -1.3908 H 1 UNL11111111 0.1598 12 C -3.2473 1.2732 0.3028 C.3 1 UNL11111111 -0.4561 13 C -2.7438 -1.2534 -0.0108 C.3 1 UNL11111111 -0.2893 14 C -1.3805 -1.4826 0.6911 C.3 1 UNL11111111 -0.2609 15 H 4.3545 0.2068 0.7266 H 1 UNL11111111 0.1421 16 H 3.6869 -1.3372 1.2719 H 1 UNL11111111 0.1405 17 H 4.6638 -1.2643 -0.1989 H 1 UNL11111111 0.1423 18 H 2.8912 0.1195 -1.3471 H 1 UNL11111111 0.1538 19 H 2.2600 -1.4427 -0.8412 H 1 UNL11111111 0.1406 20 H 1.0836 2.2069 1.1675 H 1 UNL11111111 0.1418 21 H 2.8110 1.8314 1.1336 H 1 UNL11111111 0.1523 22 H 1.9688 2.2385 -0.3662 H 1 UNL11111111 0.1588 23 H -2.8351 2.2805 0.1626 H 1 UNL11111111 0.1489 24 H -4.2419 1.2584 -0.1607 H 1 UNL11111111 0.1494 25 H -3.3871 1.1204 1.3793 H 1 UNL11111111 0.1451 26 H -3.6128 -1.3670 0.6399 H 1 UNL11111111 0.1405 27 H -2.9042 -1.8634 -0.9028 H 1 UNL11111111 0.1435 28 H -0.7336 -2.2068 0.1875 H 1 UNL11111111 0.1445 29 H -1.4502 -1.7612 1.7446 H 1 UNL11111111 0.1402 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 5 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