TITL  beta-alanina da H2O+cellosolve
CELL  0.71073      6.0902   9.8965  13.8249  90.000   90.000   90.000
ZERR        8      0.0002   0.0003   0.0004   0.000    0.000    0.000
LATT  1
SYMM 1/2-X,-Y,1/2+Z
SYMM 1/2+X,1/2-Y,-Z
SYMM -X,1/2+Y,1/2-Z
SFAC  C       H       N       O
UNIT  24      56      8       16
L.S.      5
FMAP      2
PLAN    -15
TEMP  20
WGHT    0.020000
FVAR       2.03418
O1    4    0.5082    0.1395    0.5902    11.00000    0.05
O2    4    0.2335   -0.0066    0.5863    11.00000    0.05
N     3    0.5463   -0.3012    0.5687    11.00000    0.05
C1    1    0.4333    0.0097    0.6104    11.00000    0.05
C2    1    0.5651   -0.0710    0.6595    11.00000    0.05
C3    1    0.4897   -0.2286    0.6596    11.00000    0.05

HKLF      4
END