TITLE s92 input file for XPREP SOURCE Mo 0.71073 CHEM C19 H31 N2 B F4 CELL 9.50600 9.99130 13.46460 71.3832 87.9719 62.9346 CELLSD 0.00029 0.00050 0.00080 0.0020 0.0031 0.0027