# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CAO' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 5.60700 1.92600 -7.94000 1.000 C1 C 4.42100 1.85500 -8.51500 1.000 N2 N 3.33600 1.50100 -7.85800 1.000 C3 C 3.39800 1.19000 -6.56800 1.000 C4 C 4.63700 1.25600 -5.90800 1.000 C5 C 5.76500 1.63900 -6.65200 1.000 N6 N 7.01300 1.71600 -6.05700 1.000 N7 N 4.42100 0.90100 -4.61800 1.000 C8 C 3.15900 0.63400 -4.44700 1.000 N9 N 2.48500 0.80100 -5.62000 1.000 C10 C 1.05000 0.59600 -5.83200 1.000 C11 C 0.74800 -0.89100 -6.14300 1.000 O12 O 0.89300 -1.16000 -7.53900 1.000 C13 C -0.73500 -1.02000 -5.70600 1.000 O14 O -1.60100 -0.90500 -6.83700 1.000 P15 P -2.46100 -2.26400 -6.90400 1.000 O16 O -3.24300 -2.41500 -5.65700 1.000 O17 O -3.46400 -2.20300 -8.16200 1.000 O18 O -1.46800 -3.52000 -7.07000 1.000 C19 C -0.94200 0.15900 -4.73700 1.000 O20 O 0.31600 0.84100 -4.61300 1.000 C21 C -1.38700 -0.36300 -3.36900 1.000 O22 O -1.57000 0.73600 -2.47600 1.000 P23 P -2.03600 0.11700 -1.06400 1.000 O24 O -3.30200 -0.62800 -1.24600 1.000 O25 O -0.89900 -0.88100 -0.51600 1.000 O26 O -2.26200 1.30700 -0.00400 1.000 P27 P -2.72300 0.61900 1.37600 1.000 O28 O -3.97800 -0.13300 1.15600 1.000 O29 O -1.57500 -0.38700 1.88300 1.000 O30 O -2.96800 1.75800 2.48700 1.000 C31 C -3.62400 2.11900 4.78500 1.000 C32 C -3.37300 1.08800 3.68300 1.000 C33 C -2.33700 2.90400 5.05100 1.000 C34 C -4.72600 3.08200 4.34200 1.000 C35 C -4.05700 1.40200 6.06500 1.000 O36 O -5.32800 0.78200 5.85600 1.000 C37 C -3.03800 0.35000 6.42200 1.000 O38 O -3.31100 -0.82400 6.30100 1.000 N39 N -1.82300 0.71600 6.87600 1.000 C40 C -0.86100 -0.30300 7.29900 1.000 C41 C 0.42800 0.37300 7.76600 1.000 C42 C 1.41700 -0.67600 8.20200 1.000 O43 O 1.12000 -1.85000 8.14400 1.000 N44 N 2.63200 -0.31000 8.65500 1.000 C45 C 3.59400 -1.33100 9.07900 1.000 C46 C 4.88400 -0.65300 9.54600 1.000 S47 S 6.07500 -1.91700 10.07000 1.000 O48 O 7.24100 -1.02800 10.47900 1.000 H49 H 4.33700 2.09800 -9.56400 1.000 H50 H 7.78400 1.98200 -6.58200 1.000 H51 H 7.11600 1.50400 -5.11700 1.000 H52 H 2.71200 0.32600 -3.51400 1.000 H53 H 0.68600 1.23700 -6.63500 1.000 H54 H 1.38600 -1.54900 -5.55300 1.000 H55 H 1.81400 -0.97400 -7.76500 1.000 H56 H -0.90100 -1.96800 -5.19400 1.000 H57 H -3.95900 -3.03300 -8.16600 1.000 H58 H -0.97800 -3.38300 -7.89300 1.000 H59 H -1.69400 0.83900 -5.13600 1.000 H60 H -0.62500 -1.03200 -2.97000 1.000 H61 H -2.32700 -0.90500 -3.47600 1.000 H62 H -0.09300 -0.35700 -0.41100 1.000 H63 H -0.77600 0.14100 2.01400 1.000 H64 H -2.58800 0.40200 3.99800 1.000 H65 H -4.29000 0.52900 3.49300 1.000 H66 H -1.52100 2.20800 5.24600 1.000 H67 H -2.09600 3.51200 4.17900 1.000 H68 H -2.47900 3.55000 5.91700 1.000 H69 H -5.66000 2.53400 4.21700 1.000 H70 H -4.85800 3.85700 5.09700 1.000 H71 H -4.44700 3.54300 3.39400 1.000 H72 H -4.13400 2.12400 6.87800 1.000 H73 H -5.21600 0.15200 5.13100 1.000 H74 H -1.58500 1.65600 6.92200 1.000 H75 H -1.28400 -0.88400 8.11900 1.000 H76 H -0.64100 -0.96500 6.46100 1.000 H77 H 0.85100 0.95400 6.94700 1.000 H78 H 0.20800 1.03500 8.60400 1.000 H79 H 2.87000 0.62800 8.70200 1.000 H80 H 3.17100 -1.91100 9.89800 1.000 H81 H 3.81400 -1.99200 8.24100 1.000 H82 H 5.30700 -0.07300 8.72700 1.000 H83 H 4.66400 0.00700 10.38400 1.000 H84 H 7.94700 -1.61500 10.78200 1.000