# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '972' 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 -4.26300 -0.71500 0.20900 1.000 C1 C -4.46800 0.52000 -0.42100 1.000 Cl2 Cl -6.06800 0.98900 -0.90500 1.000 C3 C -3.40500 1.36300 -0.66000 1.000 C4 C -2.12300 0.99100 -0.27500 1.000 C5 C -1.90500 -0.24700 0.35900 1.000 C6 C -2.98400 -1.09800 0.59900 1.000 C7 C -5.41000 -1.61200 0.46100 1.000 N8 N -6.45600 -1.17600 1.16100 1.000 N9 N -5.39700 -2.85800 -0.01300 1.000 N10 N -0.88800 1.59700 -0.37100 1.000 N11 N -0.57500 -0.33900 0.61100 1.000 C12 C 0.02800 0.74500 0.18800 1.000 C13 C 1.47800 1.00500 0.29300 1.000 C14 C 1.94000 2.28300 0.61900 1.000 C15 C 3.29400 2.52300 0.71500 1.000 C16 C 4.20200 1.50200 0.49100 1.000 C17 C 3.75900 0.23000 0.16700 1.000 C18 C 2.39600 -0.02400 0.06000 1.000 O19 O 1.95800 -1.27000 -0.25800 1.000 O20 O 4.65600 -0.76800 -0.05200 1.000 C21 C 5.95600 -0.20000 0.12400 1.000 C22 C 7.01800 -1.27600 -0.10900 1.000 C23 C 6.97000 -1.73200 -1.56900 1.000 C24 C 8.40200 -0.70200 0.20000 1.000 H25 H -3.56900 2.31300 -1.14600 1.000 H26 H -2.82700 -2.05000 1.08500 1.000 H27 H -6.46500 -0.27000 1.50600 1.000 H28 H -7.20800 -1.76500 1.32600 1.000 H29 H -6.11400 -3.47000 0.21500 1.000 H30 H -4.67100 -3.15200 -0.58500 1.000 H31 H -0.70100 2.46500 -0.76200 1.000 H32 H 1.23500 3.08200 0.79500 1.000 H33 H 3.64800 3.51100 0.96800 1.000 H34 H 5.26100 1.69900 0.57000 1.000 H35 H 6.04900 0.18800 1.13900 1.000 H36 H 6.09800 0.61100 -0.59000 1.000 H37 H 6.82400 -2.12700 0.54400 1.000 H38 H 7.72700 -2.49900 -1.73500 1.000 H39 H 5.98400 -2.14100 -1.78900 1.000 H40 H 7.16500 -0.88200 -2.22200 1.000 H41 H 8.59700 0.14900 -0.45300 1.000 H42 H 8.43700 -0.37700 1.24000 1.000 H43 H 9.15900 -1.46900 0.03400 1.000