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TITLE Napthalene from Cerius2
DIMENSION 3
CELL
   8.09800    5.95300    8.65200   90.00000  124.39998   90.00000
SYMMETRY  NUMBER 14  LABEL P21/A  QUALIFIER B_UNIQUE
SYM MAT  1.0  0.0  0.0  0.0  1.0  0.0  0.0  0.0  1.0 0.0000 0.0000 0.0000
SYM MAT -1.0  0.0  0.0  0.0  1.0  0.0  0.0  0.0 -1.0 0.5000 0.5000 0.0000
SYM MAT -1.0  0.0  0.0  0.0 -1.0  0.0  0.0  0.0 -1.0 0.0000 0.0000 0.0000
SYM MAT  1.0  0.0  0.0  0.0 -1.0  0.0  0.0  0.0  1.0 0.5000 0.5000 0.0000

ATOMS
NAME       X          Y          Z     CHARGE   TEMP    OCCUP   SCAT
  C1    0.08232    0.01856    0.32836  0.0000  0.0000  1.0000   C 0+
  C2    0.11295    0.16384    0.22289  0.0000  0.0000  1.0000   C 0+
  H8    0.14180    0.39070   -0.02360  0.0000  0.0000  1.0000   H 0+
  C3    0.04799    0.10518    0.03714  0.0000  0.0000  1.0000   C 0+
  H7    0.17870    0.30560    0.27110  0.0000  0.0000  1.0000   H 0+
  C4    0.07656    0.25183   -0.07582  0.0000  0.0000  1.0000   C 0+
  H6    0.12420    0.05890    0.45540  0.0000  0.0000  1.0000   H 0+
  C5   -0.01320   -0.19021    0.25460  0.0000  0.0000  1.0000   C 0+
  H9   -0.03330   -0.29520    0.33130  0.0000  0.0000  1.0000   H 0+
EOF