# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9PH' 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 6.90400 -3.02900 -0.87300 1.000 C1 C 5.42500 -3.01800 -0.47900 1.000 C2 C 5.08400 -4.31400 0.25800 1.000 C3 C 7.25300 -1.70400 -1.55800 1.000 C4 C -8.90100 -2.54500 0.79900 1.000 C5 C -9.33200 -2.72100 2.10000 1.000 C6 C -8.69300 -3.62900 2.92300 1.000 C7 C -7.62100 -4.36000 2.44500 1.000 C8 C -7.19000 -4.18400 1.14300 1.000 C9 C -7.83000 -3.27600 0.32000 1.000 C10 C -7.36300 -3.08800 -1.10000 1.000 O11 O -6.37300 -2.05900 -1.14400 1.000 C12 C -5.86100 -1.80000 -2.45300 1.000 C13 C -4.83000 -0.70300 -2.38100 1.000 C14 C -4.42100 -0.04700 -1.27000 1.000 N15 N -4.13400 -0.19100 -3.40200 1.000 N16 N -3.35000 0.72500 -2.95400 1.000 N17 N -3.49000 0.84500 -1.68000 1.000 C18 C -2.76300 1.78300 -0.82100 1.000 C19 C -1.25700 1.59300 -1.01800 1.000 O20 O -0.88600 0.27200 -0.61800 1.000 O21 O -3.12200 3.12200 -1.16700 1.000 C22 C -2.48500 4.12100 -0.36800 1.000 C23 C -2.96400 5.50700 -0.80700 1.000 O24 O -4.36000 5.63700 -0.53400 1.000 C25 C -0.96800 4.02500 -0.54700 1.000 O26 O -0.32600 4.98500 0.29500 1.000 C27 C -0.50500 2.61700 -0.16200 1.000 O28 O 0.90000 2.49500 -0.39500 1.000 C29 C 1.55600 1.57400 0.47800 1.000 C30 C 3.02300 1.43200 0.06100 1.000 O31 O 3.09300 0.89300 -1.26100 1.000 O32 O 1.48900 2.06000 1.82000 1.000 C33 C 2.09700 1.19700 2.78400 1.000 C34 C 1.94000 1.80200 4.18100 1.000 O35 O 0.55500 1.84200 4.53000 1.000 C36 C 3.58500 1.04000 2.46000 1.000 O37 O 4.18300 0.13300 3.38800 1.000 C38 C 3.73400 0.49000 1.03800 1.000 O39 O 5.12000 0.40900 0.70000 1.000 C40 C 5.43200 -0.63300 -0.22700 1.000 O41 O 5.17000 -1.90100 0.37600 1.000 O42 O 3.68000 -4.35600 0.52300 1.000 O43 O 7.15000 -4.11000 -1.77400 1.000 O44 O 8.64800 -1.67500 -1.86300 1.000 C45 C 6.91200 -0.54800 -0.61100 1.000 O46 O 7.16500 0.69600 -1.26700 1.000 H47 H 7.51800 -3.15000 0.01900 1.000 H48 H 4.81100 -2.93700 -1.37600 1.000 H49 H 5.36200 -5.16800 -0.35900 1.000 H50 H 5.63300 -4.35200 1.19900 1.000 H51 H 6.67600 -1.60500 -2.47700 1.000 H52 H -9.40300 -1.83900 0.15400 1.000 H53 H -10.16900 -2.15000 2.47400 1.000 H54 H -9.02900 -3.76700 3.94000 1.000 H55 H -7.12100 -5.06900 3.08800 1.000 H56 H -6.35300 -4.75500 0.77000 1.000 H57 H -6.93500 -4.02000 -1.46800 1.000 H58 H -8.21000 -2.80500 -1.72600 1.000 H59 H -5.40200 -2.70500 -2.84900 1.000 H60 H -6.67600 -1.49000 -3.10700 1.000 H61 H -4.76900 -0.20400 -0.26000 1.000 H62 H -3.02000 1.59500 0.22100 1.000 H63 H -1.00500 1.74000 -2.06800 1.000 H64 H -1.32900 -0.42900 -1.11600 1.000 H65 H -2.73900 3.96500 0.68000 1.000 H66 H -2.41400 6.27200 -0.26000 1.000 H67 H -2.79000 5.62900 -1.87600 1.000 H68 H -4.73300 6.49300 -0.78700 1.000 H69 H -0.71000 4.22300 -1.58700 1.000 H70 H -0.57700 5.90100 0.11000 1.000 H71 H -0.71700 2.43800 0.89200 1.000 H72 H 1.06500 0.60300 0.41800 1.000 H73 H 3.50400 2.41000 0.08200 1.000 H74 H 2.65800 1.43800 -1.93100 1.000 H75 H 1.61300 0.22100 2.75400 1.000 H76 H 2.48000 1.19000 4.90400 1.000 H77 H 2.34600 2.81300 4.18600 1.000 H78 H 0.38100 2.21500 5.40500 1.000 H79 H 4.07700 2.01000 2.52900 1.000 H80 H 4.12100 0.41700 4.31100 1.000 H81 H 3.28500 -0.50100 0.98100 1.000 H82 H 4.81800 -0.52100 -1.12100 1.000 H83 H 3.39200 -5.15200 0.99000 1.000 H84 H 8.07000 -4.17800 -2.06600 1.000 H85 H 8.93900 -0.86300 -2.29900 1.000 H86 H 7.52600 -0.61900 0.28700 1.000 H87 H 6.97000 1.47300 -0.72400 1.000