@MOLECULE 1,4-dibromobutanedione 12 11 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.8613 -0.5734 -0.0049 Br 1 UNL1111111111 -0.0302 2 BR 2.7033 -0.7359 0.0036 Br 1 UNL1111111111 -0.0316 3 O -1.2803 1.9486 -0.7004 O.2 1 UNL1111111111 -0.3310 4 O 1.3414 2.1108 0.9125 O.2 1 UNL1111111111 -0.3343 5 C -0.6232 1.1864 -0.0500 C.2 1 UNL1111111111 0.3491 6 C 0.8854 1.3910 0.0695 C.2 1 UNL1111111111 0.3457 7 C -1.1481 0.0081 0.7024 C.3 1 UNL1111111111 -0.3722 8 C 1.7064 0.6449 -0.9357 C.3 1 UNL1111111111 -0.3703 9 H -1.3028 0.2680 1.7691 H 1 UNL1111111111 0.2010 10 H -0.4709 -0.8652 0.6671 H 1 UNL1111111111 0.1885 11 H 1.1140 0.1543 -1.7255 H 1 UNL1111111111 0.1847 12 H 2.4406 1.3110 -1.4288 H 1 UNL1111111111 0.2006 @BOND 1 1 7 1 2 2 8 1 3 3 5 2 4 4 6 2 5 5 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 8 12 1