# --------------------------------------------------------------------------
#
# CIF file generated by openbabel 3.1.1 http://openbabel.org/
# to comply with the Macromolecular CIF Dictionary  (cif_mm.dic) version  2.0.11 http://mmcif.pdb.org/
# The contents of this file were derived from fch3f.xyz
#
#---------------------------------------------------------------------------

data_COORDINATESFROMORCA-JOBFCH3F

###########
## ENTRY ##
###########

_entry.id	COORDINATESFROMORCA-JOBFCH3F

##############
## CHEMICAL ##
##############

_chemical.entry_id	COORDINATESFROMORCA-JOBFCH3F
_chemical.name_common	'Coordinates from ORCA-job fch3f'

######################
## CHEMICAL FORMULA ##
######################

_chemical_formula.entry_id	COORDINATESFROMORCA-JOBFCH3F
_chemical_formula.structural	'CH3F2'

###############
## ATOM_SITE ##
###############

loop_
_atom_site.id
_atom_site.type_symbol
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
	1	C	0.0019995	0.00137034	0.619993
	2	F	-0.0105478	-0.00538891	2.05053
	3	H	1.02094	-0.110658	0.233182
	4	H	-0.403372	0.937641	0.220825
	5	H	-0.598678	-0.816099	0.206519
	6	F	-0.0103631	-0.00688976	-1.78821