# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9NJ' 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 -3.30600 0.95000 0.95200 1.000 C1 C -1.14100 1.58700 -0.06500 1.000 C2 C -4.02500 -0.17100 1.20500 1.000 C3 C 0.28000 -1.12700 0.26800 1.000 C4 C -3.27500 -1.26200 0.72900 1.000 C5 C -1.25400 2.94700 0.25200 1.000 C6 C -1.01500 -1.47900 -0.41600 1.000 C7 C -0.02500 1.15000 -0.78800 1.000 C8 C 0.73800 3.41700 -0.82000 1.000 C9 C -0.92300 -1.11800 -1.90000 1.000 C10 C -5.74600 -1.68800 1.91800 1.000 C11 C 4.62100 0.07300 0.84500 1.000 C12 C 0.92100 2.08300 -1.16600 1.000 C13 C 2.66600 -1.46800 0.62700 1.000 C14 C 1.42400 5.69100 -0.80700 1.000 O15 O 1.66500 4.33500 -1.19000 1.000 O16 O -2.32500 3.38700 0.95600 1.000 C17 C -2.38000 4.78500 1.24700 1.000 N18 N -0.32300 3.80500 -0.13100 1.000 C19 C -2.18000 0.62800 0.36200 1.000 C20 C -5.26900 -0.40000 1.80200 1.000 F21 F -6.94700 -1.90800 2.49400 1.000 C22 C -5.00000 -2.76000 1.44600 1.000 C23 C -3.77100 -2.55100 0.85500 1.000 N24 N -2.11300 -0.73000 0.20100 1.000 C25 C 0.33600 -1.74800 -2.50000 1.000 C26 C 0.42800 -1.38700 -3.98400 1.000 C27 C -0.80600 -1.91800 -4.71600 1.000 C28 C -2.06500 -1.28800 -4.11600 1.000 C29 C -2.15700 -1.64900 -2.63200 1.000 O30 O 0.29200 -0.30100 1.15600 1.000 N31 N 1.42600 -1.73000 -0.10700 1.000 C32 C 3.61900 -2.65300 0.45800 1.000 C33 C 4.91400 -2.37900 1.22500 1.000 C34 C 5.57400 -1.11200 0.67700 1.000 C35 C 3.32600 -0.20100 0.07900 1.000 C36 C 6.85000 -0.84200 1.43200 1.000 O37 O 6.98300 0.19100 2.04300 1.000 O38 O 7.83800 -1.75100 1.42600 1.000 H39 H -1.20200 -2.54800 -0.31300 1.000 H40 H 0.09500 0.10700 -1.04500 1.000 H41 H -0.87400 -0.03500 -2.00900 1.000 H42 H 4.39500 0.21000 1.90300 1.000 H43 H 5.09100 0.97500 0.45500 1.000 H44 H 1.79200 1.78100 -1.72900 1.000 H45 H 2.44000 -1.33100 1.68500 1.000 H46 H 1.36500 5.75600 0.28000 1.000 H47 H 2.24000 6.32000 -1.16400 1.000 H48 H 0.48500 6.03100 -1.24400 1.000 H49 H -1.50700 5.06900 1.83400 1.000 H50 H -2.39100 5.35000 0.31500 1.000 H51 H -3.28500 5.00300 1.81400 1.000 H52 H -5.85300 0.43000 2.17100 1.000 H53 H -5.38400 -3.76500 1.54200 1.000 H54 H -3.19700 -3.38900 0.49000 1.000 H55 H 1.21500 -1.37000 -1.97900 1.000 H56 H 0.28700 -2.83100 -2.39200 1.000 H57 H 0.47700 -0.30400 -4.09300 1.000 H58 H 1.32500 -1.83600 -4.41200 1.000 H59 H -0.74000 -1.66100 -5.77400 1.000 H60 H -0.85500 -3.00100 -4.60800 1.000 H61 H -2.01600 -0.20500 -4.22400 1.000 H62 H -2.94400 -1.66600 -4.63700 1.000 H63 H -2.20600 -2.73300 -2.52400 1.000 H64 H -3.05400 -1.20000 -2.20400 1.000 H65 H 1.42900 -2.33800 -0.86300 1.000 H66 H 3.14900 -3.55600 0.85000 1.000 H67 H 3.84500 -2.79000 -0.59900 1.000 H68 H 4.68800 -2.24200 2.28300 1.000 H69 H 5.59300 -3.22300 1.10500 1.000 H70 H 5.80000 -1.24900 -0.38100 1.000 H71 H 2.64700 0.64300 0.19900 1.000 H72 H 3.55100 -0.33800 -0.97900 1.000 H73 H 8.63700 -1.53300 1.92500 1.000