@MOLECULE dihydrogen 2 1 0 0 0 SMALL GASTEIGER @ATOM 1 H 0.3798 -0.0000 0.0000 H 1 UNK1111 0.0000 2 H -0.3798 0.0000 -0.0000 H 2 UNK2222 0.0000 @BOND 1 1 2 1