# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94K' 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 -4.96500 3.20300 -0.23400 1.000 C1 C 5.36400 1.19700 1.44900 1.000 C2 C -5.55300 2.12800 -0.87400 1.000 C3 C -3.84200 3.01200 0.54800 1.000 C4 C 5.21500 2.45500 0.89100 1.000 C5 C 4.45000 0.20200 1.16800 1.000 C6 C -5.01700 0.86200 -0.73200 1.000 C7 C -3.30600 1.74600 0.69000 1.000 C8 C 4.14800 2.72500 0.05400 1.000 C9 C 1.05500 -0.46100 0.11600 1.000 C10 C 3.37000 0.46800 0.32500 1.000 C11 C 0.35100 -1.61400 -0.23600 1.000 C12 C -3.89300 0.67100 0.05000 1.000 C13 C 3.22300 1.74000 -0.23000 1.000 C14 C 2.38700 -0.59400 0.02000 1.000 C15 C 1.14500 -2.65600 -0.61000 1.000 C16 C -1.11900 -1.69700 -0.20600 1.000 C17 C 0.64000 -4.01000 -1.03700 1.000 C18 C -3.75800 -1.30600 1.54000 1.000 C19 C -3.30900 -0.71000 0.20500 1.000 N20 N -1.84600 -0.62800 0.17500 1.000 N21 N -3.09400 -2.60000 1.74700 1.000 O22 O -1.67700 -2.73000 -0.52400 1.000 S23 S 2.79100 -2.21600 -0.52200 1.000 Cl24 Cl 1.88400 2.08200 -1.28100 1.000 H25 H -5.38200 4.19300 -0.34800 1.000 H26 H 6.19900 0.99200 2.10200 1.000 H27 H -6.43100 2.27700 -1.48500 1.000 H28 H -3.38300 3.85200 1.04800 1.000 H29 H 5.93600 3.22800 1.11100 1.000 H30 H 4.56900 -0.78000 1.60100 1.000 H31 H -5.47600 0.02200 -1.23200 1.000 H32 H -2.42700 1.59700 1.30100 1.000 H33 H 4.03800 3.70900 -0.37800 1.000 H34 H 0.57300 0.45200 0.43100 1.000 H35 H 0.48000 -4.01600 -2.11500 1.000 H36 H 1.37500 -4.77100 -0.77400 1.000 H37 H -0.30100 -4.22400 -0.52900 1.000 H38 H -3.49000 -0.62700 2.35000 1.000 H39 H -4.83900 -1.45000 1.52900 1.000 H40 H -3.65400 -1.34400 -0.61100 1.000 H41 H -1.40100 0.19600 0.42800 1.000 H42 H -2.09100 -2.50400 1.69700 1.000 H43 H -3.37500 -3.01500 2.62300 1.000