@MOLECULE 3-methyl-1-[(1R,2R)-2-methylcyclobutyl]butan-1-one 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5782 -0.1745 -0.1696 C.3 1 UNL11111111 -0.0338 2 C -3.8803 -0.0897 0.6346 C.3 1 UNL11111111 -0.4581 3 C -2.3594 1.1201 -0.9602 C.3 1 UNL11111111 -0.4595 4 C -1.3979 -0.4350 0.7843 C.3 1 UNL11111111 -0.4067 5 C -0.1275 -0.6997 0.0137 C.2 1 UNL11111111 0.4738 6 O -0.1215 -1.3592 -0.9952 O.2 1 UNL11111111 -0.4581 7 C 1.1290 -0.1197 0.5977 C.3 1 UNL11111111 -0.2618 8 H 1.3123 -0.5431 1.5996 H 1 UNL11111111 0.1619 9 C 2.3836 -0.1786 -0.3315 C.3 1 UNL11111111 -0.0637 10 H 2.1475 -0.5994 -1.3278 H 1 UNL11111111 0.1588 11 C 3.5850 -0.8710 0.2763 C.3 1 UNL11111111 -0.4549 12 C 2.4471 1.3774 -0.3319 C.3 1 UNL11111111 -0.2936 13 C 1.1809 1.4332 0.5594 C.3 1 UNL11111111 -0.2672 14 H -2.6453 -1.0291 -0.8906 H 1 UNL11111111 0.1518 15 H -4.7408 0.0678 -0.0254 H 1 UNL11111111 0.1458 16 H -4.0654 -1.0100 1.1982 H 1 UNL11111111 0.1422 17 H -3.8602 0.7401 1.3488 H 1 UNL11111111 0.1434 18 H -3.2059 1.3218 -1.6261 H 1 UNL11111111 0.1470 19 H -2.2458 1.9859 -0.3013 H 1 UNL11111111 0.1404 20 H -1.4632 1.0521 -1.5890 H 1 UNL11111111 0.1510 21 H -1.2780 0.4132 1.4828 H 1 UNL11111111 0.1602 22 H -1.6148 -1.3206 1.4174 H 1 UNL11111111 0.1693 23 H 3.4179 -1.9530 0.3568 H 1 UNL11111111 0.1512 24 H 4.4809 -0.7230 -0.3394 H 1 UNL11111111 0.1487 25 H 3.8130 -0.4971 1.2807 H 1 UNL11111111 0.1443 26 H 3.3439 1.7960 0.1282 H 1 UNL11111111 0.1419 27 H 2.3292 1.8304 -1.3184 H 1 UNL11111111 0.1416 28 H 0.3168 1.9061 0.0839 H 1 UNL11111111 0.1438 29 H 1.3312 1.9014 1.5346 H 1 UNL11111111 0.1403 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 7 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1