@MOLECULE (1r,3s)-1,3-dimethylcyclopentane 21 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.2201 -0.1185 0.3977 C.3 1 UNL1 -0.0744 2 C 1.2200 -0.1181 0.3972 C.3 1 UNL1 -0.0744 3 C 0.0000 -1.0324 0.1710 C.3 1 UNL1 -0.2987 4 C -0.7704 1.2828 -0.0769 C.3 1 UNL1 -0.2825 5 C 0.7701 1.2825 -0.0779 C.3 1 UNL1 -0.2826 6 C -2.4550 -0.6138 -0.3507 C.3 1 UNL1 -0.4578 7 C 2.4553 -0.6137 -0.3501 C.3 1 UNL1 -0.4578 8 H -1.4470 -0.0775 1.4877 H 1 UNL1 0.1275 9 H 1.4459 -0.0763 1.4877 H 1 UNL1 0.1275 10 H 0.0002 -1.8965 0.8490 H 1 UNL1 0.1314 11 H -0.0002 -1.4390 -0.8538 H 1 UNL1 0.1419 12 H -1.1568 1.4987 -1.0860 H 1 UNL1 0.1363 13 H -1.1736 2.0677 0.5801 H 1 UNL1 0.1305 14 H 1.1747 2.0685 0.5769 H 1 UNL1 0.1305 15 H 1.1551 1.4973 -1.0880 H 1 UNL1 0.1363 16 H -2.7490 -1.6132 -0.0112 H 1 UNL1 0.1437 17 H -3.3089 0.0545 -0.1938 H 1 UNL1 0.1436 18 H -2.2770 -0.6732 -1.4304 H 1 UNL1 0.1457 19 H 2.2784 -0.6729 -1.4300 H 1 UNL1 0.1457 20 H 3.3093 0.0542 -0.1923 H 1 UNL1 0.1436 21 H 2.7487 -1.6132 -0.0105 H 1 UNL1 0.1438 @BOND 1 18 6 1 2 19 7 1 3 15 5 1 4 12 4 1 5 11 3 1 6 6 17 1 7 6 16 1 8 6 1 1 9 7 20 1 10 7 21 1 11 7 2 1 12 5 4 1 13 5 2 1 14 5 14 1 15 4 1 1 16 4 13 1 17 3 2 1 18 3 1 1 19 3 10 1 20 2 9 1 21 1 8 1