!BIOSYM molecular_data 4
 
!Date: Tue Jul 02 12:43:30 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 naphthalene
 
NAPH_1:H1           H  h       1     0  0     0.1320 0 0 8 1.0000  0.0000 C2 
NAPH_1:C2           C  cp      1     0  0    -0.1280 0 0 8 1.0000  0.0000 H1 C3/1.5 C7/1.5 
NAPH_1:C3           C  cp      1     0  0    -0.1270 0 0 8 1.0000  0.0000 C2/1.5 C4/1.5 H8 
NAPH_1:C4           C  cp      1     0  0    -0.1170 0 0 8 1.0000  0.0000 C3/1.5 C5/1.5 H9 
NAPH_1:C5           C  cp      1     0  0    -0.0370 0 0 8 1.0000  0.0000 C4/1.5 C6/1.5 C11/1.5 
NAPH_1:C6           C  cp      1     0  0    -0.0360 0 0 8 1.0000  0.0000 C5/1.5 C7/1.5 C14/1.5 
NAPH_1:C7           C  cp      1     0  0    -0.1170 0 0 8 1.0000  0.0000 C2/1.5 C6/1.5 H10 
NAPH_1:H8           H  h       1     0  0     0.1310 0 0 8 1.0000  0.0000 C3 
NAPH_1:H9           H  h       1     0  0     0.1330 0 0 8 1.0000  0.0000 C4 
NAPH_1:H10          H  h       1     0  0     0.1320 0 0 8 1.0000  0.0000 C7 
NAPH_1:C11          C  cp      1     0  0    -0.1190 0 0 8 1.0000  0.0000 C5/1.5 C12/1.5 H15 
NAPH_1:C12          C  cp      1     0  0    -0.1270 0 0 8 1.0000  0.0000 C11/1.5 C13/1.5 H16 
NAPH_1:C13          C  cp      1     0  0    -0.1270 0 0 8 1.0000  0.0000 C12/1.5 C14/1.5 H17 
NAPH_1:C14          C  cp      1     0  0    -0.1180 0 0 8 1.0000  0.0000 C6/1.5 C13/1.5 H18 
NAPH_1:H15          H  h       1     0  0     0.1320 0 0 8 1.0000  0.0000 C11 
NAPH_1:H16          H  h       1     0  0     0.1310 0 0 8 1.0000  0.0000 C12 
NAPH_1:H17          H  h       1     0  0     0.1330 0 0 8 1.0000  0.0000 C13 
NAPH_1:H18          H  h       1     0  0     0.1310 0 0 8 1.0000  0.0000 C14 
 
!
#symmetry
@periodicity 3 xyz
@group (P1)

#end