# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2U1' 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 -0.21500 3.36200 -0.59800 1.000 C1 C -0.41600 4.34400 -1.55200 1.000 Cl2 Cl 0.06900 5.98000 -1.23000 1.000 C3 C -1.00400 4.02200 -2.76200 1.000 C4 C -1.39000 2.72000 -3.01700 1.000 C5 C -1.18900 1.73900 -2.06500 1.000 C6 C -0.60100 2.06000 -0.85500 1.000 C7 C -0.38100 0.99000 0.18400 1.000 O8 O -1.45900 0.04800 0.13800 1.000 C9 C -1.42200 -0.89500 1.21200 1.000 C10 C -2.44000 -2.00600 0.94900 1.000 C11 C -3.80900 -1.40200 0.77200 1.000 C12 C -4.50000 -1.61600 -0.40700 1.000 C13 C -5.75700 -1.05900 -0.56600 1.000 C14 C -6.28200 -0.29500 0.48300 1.000 C15 C -7.61900 0.32200 0.36800 1.000 O16 O -8.27300 0.16800 -0.64500 1.000 O17 O -8.11300 1.05500 1.38400 1.000 C18 C -5.52100 -0.12600 1.64100 1.000 N19 N -4.33100 -0.68100 1.74600 1.000 C20 C -1.77000 -0.18600 2.52300 1.000 C21 C -0.04600 -1.49200 1.31900 1.000 O22 O 0.10200 -2.50700 1.96700 1.000 N23 N 1.02000 -0.94400 0.72400 1.000 C24 C 2.33100 -1.57000 0.91300 1.000 C25 C 2.68100 -1.57900 2.40300 1.000 C26 C 4.02200 -2.19300 2.81000 1.000 C27 C 3.82600 -0.67600 2.86500 1.000 C28 C 2.29100 -3.00700 0.39000 1.000 S29 S 2.02300 -2.99000 -1.40400 1.000 O30 O 0.73000 -2.46000 -1.66300 1.000 O31 O 3.15400 -2.39600 -2.02500 1.000 C32 C 2.01100 -4.76100 -1.79800 1.000 C33 C 3.35100 -5.38200 -1.39700 1.000 C34 C 0.88000 -5.44700 -1.02800 1.000 C35 C 1.79100 -4.94800 -3.30000 1.000 C36 C 0.92700 0.25300 -0.10800 1.000 C37 C 2.09200 1.16100 0.19100 1.000 C38 C 2.52800 1.32000 1.49300 1.000 C39 C 3.60000 2.14900 1.76700 1.000 C40 C 4.23600 2.82000 0.73800 1.000 Cl41 Cl 5.58200 3.86000 1.08200 1.000 C42 C 3.79900 2.66100 -0.56500 1.000 C43 C 2.72700 1.83200 -0.83800 1.000 H44 H 0.24800 3.61200 0.34500 1.000 H45 H -1.16200 4.78800 -3.50600 1.000 H46 H -1.84900 2.46800 -3.96200 1.000 H47 H -1.49000 0.72200 -2.26500 1.000 H48 H -0.33500 1.44500 1.17300 1.000 H49 H -2.16200 -2.54700 0.04400 1.000 H50 H -2.45300 -2.69400 1.79400 1.000 H51 H -4.06300 -2.21100 -1.19500 1.000 H52 H -6.31800 -1.21000 -1.47700 1.000 H53 H -8.99300 1.43900 1.26200 1.000 H54 H -5.91200 0.46100 2.45800 1.000 H55 H -2.70100 0.36700 2.40000 1.000 H56 H -1.88800 -0.92500 3.31500 1.000 H57 H -0.96900 0.50400 2.78600 1.000 H58 H 3.08600 -1.00500 0.36600 1.000 H59 H 1.83900 -1.71200 3.08300 1.000 H60 H 4.06300 -2.73000 3.75700 1.000 H61 H 4.65500 -2.59100 2.01600 1.000 H62 H 4.33100 -0.07600 2.10800 1.000 H63 H 3.73900 -0.21600 3.84900 1.000 H64 H 3.23700 -3.50100 0.61100 1.000 H65 H 1.47700 -3.54700 0.87400 1.000 H66 H 3.50700 -5.24900 -0.32600 1.000 H67 H 3.34300 -6.44600 -1.63400 1.000 H68 H 4.15600 -4.89300 -1.94500 1.000 H69 H -0.07400 -5.00500 -1.31400 1.000 H70 H 0.87300 -6.51100 -1.26500 1.000 H71 H 1.03700 -5.31400 0.04300 1.000 H72 H 2.59600 -4.45900 -3.84900 1.000 H73 H 1.78400 -6.01200 -3.53700 1.000 H74 H 0.83700 -4.50500 -3.58600 1.000 H75 H 0.95400 -0.03300 -1.15900 1.000 H76 H 2.03100 0.79600 2.29600 1.000 H77 H 3.94000 2.27300 2.78500 1.000 H78 H 4.29500 3.18400 -1.36800 1.000 H79 H 2.38900 1.70400 -1.85500 1.000