# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0VA' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -4.20500 1.54900 -1.49600 1.000 C1 C -3.06300 1.16900 0.59600 1.000 C2 C -4.05300 2.90900 -1.32800 1.000 C3 C -2.91900 2.53100 0.76100 1.000 C4 C 3.26300 1.12300 0.60100 1.000 C5 C 3.89000 -1.18400 0.77300 1.000 C6 C -3.71300 0.67000 -0.53200 1.000 C7 C -2.88000 -1.74000 -0.26800 1.000 C8 C 3.09100 -0.12600 1.16700 1.000 C9 C 5.03300 0.25700 -0.76800 1.000 C10 C -3.41100 3.40400 -0.20100 1.000 C11 C 4.23200 1.31900 -0.36600 1.000 C12 C 4.86500 -0.99500 -0.18900 1.000 C13 C -3.88100 -0.79300 -0.70600 1.000 C14 C -3.22800 -3.04700 -0.52100 1.000 C15 C -1.61800 -1.34600 0.37700 1.000 C16 C -0.34300 -0.97300 2.33100 1.000 C17 C -2.41900 -4.27800 -0.20100 1.000 C18 C -2.59100 5.18400 1.14400 1.000 C19 C 2.03000 -0.33600 2.21600 1.000 N20 N -4.94000 -1.30800 -1.26300 1.000 N21 N -1.55300 -1.23100 1.71800 1.000 N22 N 6.01700 0.45200 -1.74200 1.000 N23 N -0.26100 -0.96300 3.63000 1.000 N24 N 0.77400 -0.72600 1.56900 1.000 O25 O -0.63300 -1.12400 -0.30100 1.000 O26 O -3.26200 4.74400 -0.03800 1.000 S27 S -4.77000 -2.99200 -1.27500 1.000 Cl28 Cl 4.44600 2.88700 -1.07700 1.000 Cl29 Cl 5.86300 -2.32500 -0.68700 1.000 H30 H -4.70900 1.16600 -2.37100 1.000 H31 H -2.68100 0.49100 1.34400 1.000 H32 H -4.43400 3.59100 -2.07400 1.000 H33 H -2.42400 2.91800 1.63900 1.000 H34 H 2.63700 1.94700 0.91100 1.000 H35 H 3.75300 -2.15800 1.21800 1.000 H36 H -2.67700 -4.63300 0.79700 1.000 H37 H -2.63900 -5.05700 -0.93100 1.000 H38 H -1.35700 -4.03500 -0.23700 1.000 H39 H -2.54000 6.27300 1.14900 1.000 H40 H -3.14000 4.84200 2.02200 1.000 H41 H -1.58200 4.77300 1.16400 1.000 H42 H 2.34600 -1.12400 2.90000 1.000 H43 H 1.88000 0.58900 2.77200 1.000 H44 H -2.35600 -1.33000 2.25300 1.000 H45 H 6.58300 -0.28700 -2.01400 1.000 H46 H 6.13400 1.32600 -2.14600 1.000 H47 H -1.03100 -1.20800 4.16700 1.000 H48 H 0.73100 -0.81000 0.60400 1.000