@MOLECULE (3r)-3-methylcyclopentanone 17 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.1513 0.1404 -0.0246 C.2 1 UNL1111111111 0.5017 2 C -0.6303 -1.2552 -0.2712 C.3 1 UNL1111111111 -0.3830 3 C 0.7800 -1.2809 0.3262 C.3 1 UNL1111111111 -0.2760 4 C 1.2338 0.1954 0.4762 C.3 1 UNL1111111111 -0.0633 5 C -0.0624 1.0270 0.5271 C.3 1 UNL1111111111 -0.4036 6 O -2.2783 0.4953 -0.2387 O.2 1 UNL1111111111 -0.4663 7 H -1.2956 -2.0147 0.1756 H 1 UNL1111111111 0.1704 8 H -0.6254 -1.4686 -1.3566 H 1 UNL1111111111 0.1713 9 H 1.4798 -1.8542 -0.3029 H 1 UNL1111111111 0.1445 10 H 0.7780 -1.7793 1.3107 H 1 UNL1111111111 0.1393 11 C 2.1184 0.6221 -0.6952 C.3 1 UNL1111111111 -0.4567 12 H 1.8047 0.3166 1.4234 H 1 UNL1111111111 0.1327 13 H 0.0108 1.9668 -0.0487 H 1 UNL1111111111 0.1758 14 H -0.3116 1.3376 1.5582 H 1 UNL1111111111 0.1712 15 H 2.4182 1.6727 -0.6092 H 1 UNL1111111111 0.1463 16 H 3.0365 0.0256 -0.7416 H 1 UNL1111111111 0.1451 17 H 1.6008 0.5037 -1.6544 H 1 UNL1111111111 0.1507 @BOND 1 17 11 1 2 8 2 1 3 16 11 1 4 11 15 1 5 11 4 1 6 9 3 1 7 2 1 1 8 2 7 1 9 2 3 1 10 6 1 2 11 13 5 1 12 1 5 1 13 3 4 1 14 3 10 1 15 4 5 1 16 4 12 1 17 5 14 1