TITLE s92 input file for XPREP SOURCE Mo 0.71073 CHEM C13 H19 N2 B F4 CELL 8.67740 9.01760 10.07400 107.6248 96.1965 102.8708 CELLSD 0.00029 0.00029 0.00029 0.0016 0.0019 0.0022