# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9N1' 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 1.29800 1.13200 -2.30100 1.000 C1 C 1.93200 -0.73700 -0.80600 1.000 C2 C -1.81200 0.16300 0.74500 1.000 C3 C -0.35200 0.52100 0.84900 1.000 C4 C -0.35400 2.08200 -1.15700 1.000 C5 C 0.40600 2.15200 -2.33700 1.000 C6 C 3.42100 -2.96200 -0.07700 1.000 C7 C 0.14400 3.16600 -3.26500 1.000 C8 C 1.29000 2.08000 1.90600 1.000 C9 C 5.39100 0.39600 -1.32700 1.000 C10 C -3.82800 -2.90900 0.64900 1.000 C11 C -1.59600 4.00600 -1.85200 1.000 O12 O -2.65800 1.02100 0.88300 1.000 N13 N -2.17800 -1.11100 0.49900 1.000 C14 C -3.59000 -1.44100 0.29200 1.000 C15 C -3.95900 -1.20600 -1.17500 1.000 C16 C -5.43400 -1.55100 -1.39100 1.000 C17 C -5.67200 -3.01900 -1.03400 1.000 C18 C -5.30300 -3.25400 0.43300 1.000 C19 C -0.17100 1.62400 1.89300 1.000 C20 C -0.54900 1.08600 3.27500 1.000 C21 C -0.36800 2.18900 4.31900 1.000 C22 C 1.09200 2.64500 4.33200 1.000 C23 C 1.47100 3.18300 2.95100 1.000 N24 N 0.12800 0.99600 -0.45100 1.000 C25 C -1.35500 3.01500 -0.92400 1.000 C26 C -0.84600 4.07500 -3.01700 1.000 C27 C 1.13900 0.44700 -1.19400 1.000 C28 C 1.29000 -1.90100 -0.38000 1.000 C29 C 2.03200 -3.00300 -0.01900 1.000 O30 O 4.14600 -4.05300 0.28000 1.000 C31 C 3.41700 -5.20600 0.70500 1.000 C32 C 4.06800 -1.81100 -0.50500 1.000 C33 C 3.33200 -0.69800 -0.87000 1.000 O34 O 3.96300 0.42900 -1.28800 1.000 H35 H 0.21800 -0.35900 1.14800 1.000 H36 H 0.72200 3.23000 -4.17400 1.000 H37 H 1.93100 1.23500 2.15500 1.000 H38 H 1.55900 2.46300 0.92200 1.000 H39 H 5.77800 0.19700 -0.32700 1.000 H40 H 5.71800 -0.39300 -2.00600 1.000 H41 H 5.76800 1.35600 -1.67800 1.000 H42 H -3.21000 -3.54300 0.01300 1.000 H43 H -3.56600 -3.07600 1.69300 1.000 H44 H -2.37500 4.73200 -1.67200 1.000 H45 H -1.50600 -1.80900 0.45900 1.000 H46 H -4.20800 -0.80700 0.92800 1.000 H47 H -3.78900 -0.16000 -1.42900 1.000 H48 H -3.34100 -1.84000 -1.81100 1.000 H49 H -6.05200 -0.91700 -0.75500 1.000 H50 H -5.69700 -1.38300 -2.43500 1.000 H51 H -6.72300 -3.26400 -1.18800 1.000 H52 H -5.05400 -3.65300 -1.67000 1.000 H53 H -5.47300 -4.30000 0.68700 1.000 H54 H -5.92100 -2.62000 1.06900 1.000 H55 H -0.81300 2.46900 1.64500 1.000 H56 H -1.59000 0.76200 3.26600 1.000 H57 H 0.09300 0.24100 3.52400 1.000 H58 H -1.01000 3.03400 4.07000 1.000 H59 H -0.63800 1.80600 5.30300 1.000 H60 H 1.22200 3.43100 5.07600 1.000 H61 H 1.73400 1.80000 4.58100 1.000 H62 H 2.51100 3.50800 2.96000 1.000 H63 H 0.82900 4.02800 2.70200 1.000 H64 H -1.94200 2.96500 -0.01900 1.000 H65 H -1.04500 4.85600 -3.73600 1.000 H66 H 0.21100 -1.93700 -0.33300 1.000 H67 H 1.53400 -3.90400 0.31000 1.000 H68 H 4.11400 -6.00300 0.96000 1.000 H69 H 2.81600 -4.95500 1.57900 1.000 H70 H 2.76300 -5.54000 -0.10100 1.000 H71 H 5.14600 -1.78500 -0.55300 1.000