!BIOSYM molecular_data 4
 
!Date: Tue Jul 02 12:34:43 2013   Materials Studio Generated MDF file
 
#topology

@column 1 element
@column 2 atom_type
@column 3 charge_group
@column 4 isotope
@column 5 formal_charge
@column 6 charge
@column 7 switching_atom
@column 8 oop_flag
@column 9 chirality_flag
@column 10 occupancy
@column 11 xray_temp_factor
@column 12 connections
 
@molecule benzene
 
XXXX_1:H1           H  h       1     0  0     0.1020 0 0 8 1.0000  0.0000 C2 
XXXX_1:C2           C  cp      1     0  0    -0.1020 0 0 8 1.0000  0.0000 H1 C3/1.5 C7/1.5 
XXXX_1:C3           C  cp      1     0  0    -0.1020 0 0 8 1.0000  0.0000 C2/1.5 C4/1.5 H9 
XXXX_1:C4           C  cp      1     0  0    -0.1020 0 0 8 1.0000  0.0000 C3/1.5 C5/1.5 H10 
XXXX_1:C5           C  cp      1     0  0    -0.1020 0 0 8 1.0000  0.0000 C4/1.5 H8 C6/1.5 
XXXX_1:C6           C  cp      1     0  0    -0.1020 0 0 8 1.0000  0.0000 C5/1.5 C7/1.5 H11 
XXXX_1:C7           C  cp      1     0  0    -0.1020 0 0 8 1.0000  0.0000 C2/1.5 C6/1.5 H12 
XXXX_1:H8           H  h       1     0  0     0.1020 0 0 8 1.0000  0.0000 C5 
XXXX_1:H9           H  h       1     0  0     0.1020 0 0 8 1.0000  0.0000 C3 
XXXX_1:H10          H  h       1     0  0     0.1020 0 0 8 1.0000  0.0000 C4 
XXXX_1:H11          H  h       1     0  0     0.1020 0 0 8 1.0000  0.0000 C6 
XXXX_1:H12          H  h       1     0  0     0.1020 0 0 8 1.0000  0.0000 C7 
 
!
#symmetry
@periodicity 3 xyz
@group (P1)

#end