# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9V1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -2.15400 4.77900 -0.70600 1.000 C1 C -1.17900 4.32300 0.09600 1.000 O2 O -0.98800 4.84200 1.17100 1.000 C3 C -0.32400 3.16300 -0.34300 1.000 C4 C 0.70300 2.84500 0.74600 1.000 C5 C 1.55900 1.68500 0.30600 1.000 C6 C 2.76600 1.76600 -0.41600 1.000 C7 C 3.43800 3.02800 -0.89100 1.000 C8 C 3.20900 0.50600 -0.60400 1.000 C9 C 4.46900 0.11200 -1.33000 1.000 C10 C 5.63600 0.17300 -0.37900 1.000 C11 C 7.05800 -0.21900 -0.72000 1.000 C12 C 7.13200 -1.69700 -1.10900 1.000 C13 C 8.55000 -2.02900 -1.57900 1.000 C14 C 7.82000 0.03700 0.59800 1.000 C15 C 8.90100 1.10200 0.40000 1.000 C16 C 6.73000 0.54300 1.52000 1.000 O17 O 6.88000 0.87300 2.67800 1.000 N18 N 5.57300 0.57000 0.84400 1.000 C19 C 1.31300 0.37900 0.53700 1.000 N20 N 2.31900 -0.35000 -0.02500 1.000 C21 C 0.12900 -0.17900 1.28300 1.000 C22 C -1.03600 -0.32700 0.33900 1.000 C23 C -1.27200 -1.38400 -0.46500 1.000 C24 C -0.42400 -2.62400 -0.58000 1.000 C25 C -0.90800 -3.66800 0.42900 1.000 C26 C -0.05900 -4.90900 0.31400 1.000 O27 O 0.84000 -4.95300 -0.49200 1.000 O28 O -0.30300 -5.96400 1.10700 1.000 C29 C -2.45800 -1.11600 -1.17600 1.000 C30 C -3.11100 -2.01600 -2.19300 1.000 C31 C -2.90100 0.09500 -0.78100 1.000 N32 N -2.03600 0.58100 0.15400 1.000 C33 C -4.14200 0.78800 -1.28100 1.000 C34 C -5.33600 0.31000 -0.49400 1.000 C35 C -6.66300 0.75000 -0.70300 1.000 C36 C -7.12000 1.75500 -1.72900 1.000 C37 C -7.45600 0.09400 0.19700 1.000 C38 C -8.85800 0.21500 0.35900 1.000 C39 C -9.49000 -0.50600 1.29900 1.000 C40 C -6.51600 -0.78400 0.97800 1.000 O41 O -6.81100 -1.53800 1.88200 1.000 N42 N -5.28500 -0.57400 0.47300 1.000 H43 H -2.67700 5.52500 -0.38000 1.000 H44 H -0.95400 2.29000 -0.51500 1.000 H45 H 0.19500 3.42300 -1.26600 1.000 H46 H 1.33300 3.71700 0.91700 1.000 H47 H 0.18400 2.58400 1.66900 1.000 H48 H 4.12400 3.38500 -0.12400 1.000 H49 H 3.99200 2.82200 -1.80700 1.000 H50 H 2.68300 3.79000 -1.08700 1.000 H51 H 4.36500 -0.90300 -1.71400 1.000 H52 H 4.64100 0.79800 -2.15900 1.000 H53 H 7.44700 0.40900 -1.52200 1.000 H54 H 6.88200 -2.31300 -0.24500 1.000 H55 H 6.42600 -1.89600 -1.91500 1.000 H56 H 9.24300 -1.92600 -0.74400 1.000 H57 H 8.57800 -3.05300 -1.95100 1.000 H58 H 8.83800 -1.34500 -2.37700 1.000 H59 H 8.25500 -0.88700 0.97800 1.000 H60 H 8.43800 2.03400 0.07500 1.000 H61 H 9.42500 1.26600 1.34200 1.000 H62 H 9.61000 0.76500 -0.35600 1.000 H63 H 2.39200 -1.31700 -0.01100 1.000 H64 H 0.38700 -1.15300 1.69800 1.000 H65 H -0.14300 0.50000 2.09200 1.000 H66 H -0.50600 -3.02900 -1.58900 1.000 H67 H 0.61600 -2.37400 -0.37300 1.000 H68 H -0.82500 -3.26400 1.43800 1.000 H69 H -1.94800 -3.91900 0.22200 1.000 H70 H 0.26800 -6.73700 0.99600 1.000 H71 H -3.81800 -2.67800 -1.69100 1.000 H72 H -3.64100 -1.41000 -2.92800 1.000 H73 H -2.34900 -2.61200 -2.69400 1.000 H74 H -2.11600 1.43400 0.60900 1.000 H75 H -4.03200 1.86500 -1.15600 1.000 H76 H -4.28700 0.55800 -2.33600 1.000 H77 H -7.37400 1.24000 -2.65500 1.000 H78 H -7.99700 2.28300 -1.35400 1.000 H79 H -6.31900 2.47000 -1.91800 1.000 H80 H -9.41900 0.88800 -0.27300 1.000 H81 H -8.93000 -1.17900 1.93100 1.000 H82 H -10.55900 -0.41400 1.42200 1.000