@MOLECULE MOL 5 4 1 0 0 SMALL resp @ATOM 1 C1 0.0000 0.0000 0.7630 c3 1 MOL -0.306375 2 H1 0.8860 0.0000 1.3700 h2 1 MOL 0.235932 3 H2 -0.8860 0.0000 1.3700 h2 1 MOL 0.235932 4 Cl1 0.0000 1.4730 -0.2150 cl 1 MOL -0.082744 5 Cl2 0.0000 -1.4730 -0.2150 cl 1 MOL -0.082744 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 @SUBSTRUCTURE 1 MOL 1 TEMP 0 **** **** 0 ROOT