@MOLECULE tert-butyl radical 4 4 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.2952 -0.0006 0.0006 C.2 1 UNL1 -0.9192 2 C 0.9506 -0.7303 -0.0002 C.3 1 UNL1 0.1485 3 C 0.9495 0.7309 -0.0002 C.3 1 UNL1 0.1484 4 C -1.6048 -0.0000 -0.0003 C.2 1 UNL1 0.6223 @BOND 1 4 1 2 2 2 3 1 3 2 1 1 4 3 1 1