@MOLECULE diborane 6 5 0 0 0 SMALL USER_CHARGES @ATOM 1 B -0.7631 0.0003 -0.0001 B 1 UNL111111111 0.0687 2 B 0.7631 0.0003 0.0002 B 1 UNL111111111 0.0886 3 H 1.3931 0.7398 -0.6651 H 1 UNL111111111 -0.0645 4 H -1.3884 -0.6681 -0.7415 H 1 UNL111111111 -0.0382 5 H -1.3934 0.6649 0.7397 H 1 UNL111111111 -0.0364 6 H 1.3884 -0.7431 0.6663 H 1 UNL111111111 -0.0182 @BOND 1 4 1 1 2 3 2 1 3 1 2 1 4 1 5 1 5 2 6 1