# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C5N' 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 -4.84600 -3.16500 0.36100 1.000 O1 O 5.60000 1.34100 0.61400 1.000 C2 C -5.91400 -4.06000 0.67600 1.000 C3 C -5.16300 -1.85000 0.21900 1.000 C4 C -6.47300 -1.43200 0.38000 1.000 C5 C -6.79500 -0.08900 0.23400 1.000 N6 N -8.11900 0.33400 0.39700 1.000 C7 C -8.23500 1.78600 0.20000 1.000 C8 C -9.67900 2.22000 0.46300 1.000 N9 N -10.57900 1.49500 -0.44400 1.000 C10 C -11.96900 1.93900 -0.27400 1.000 C11 C -10.46300 0.04300 -0.24800 1.000 C12 C -9.01900 -0.39100 -0.51100 1.000 C13 C -5.80400 0.83400 -0.07200 1.000 C14 C -4.49600 0.41800 -0.23200 1.000 C15 C -4.16900 -0.92200 -0.08300 1.000 N16 N -2.84000 -1.34200 -0.24000 1.000 C17 C -1.80200 -0.44700 -0.04100 1.000 N18 N -2.07400 0.76600 0.41700 1.000 C19 C -1.11700 1.66300 0.60700 1.000 C20 C 0.19100 1.32100 0.32200 1.000 C21 C 1.29400 2.33000 0.44800 1.000 C22 C 2.61000 1.70400 0.90900 1.000 C23 C 2.86800 0.44000 0.14200 1.000 C24 C 1.85400 -0.36500 -0.32800 1.000 N25 N 2.43500 -1.41500 -0.94200 1.000 C26 C 1.71800 -2.52800 -1.57000 1.000 N27 N 3.71900 -1.29100 -0.89200 1.000 C28 C 4.05400 -0.18300 -0.24800 1.000 C29 C 5.42600 0.30200 0.00800 1.000 N30 N 6.48400 -0.40800 -0.43000 1.000 C31 C 7.78200 -0.00800 -0.09400 1.000 C32 C 8.25900 1.22800 -0.51100 1.000 C33 C 7.38000 2.14000 -1.32800 1.000 C34 C 6.98800 3.35700 -0.48700 1.000 C35 C 9.54100 1.62000 -0.17700 1.000 C36 C 10.34800 0.78400 0.57200 1.000 C37 C 9.87600 -0.44700 0.98900 1.000 C38 C 8.59300 -0.84300 0.66300 1.000 C39 C 8.07700 -2.18200 1.12300 1.000 C40 C 8.29200 -3.21800 0.01800 1.000 C41 C 0.44500 0.01700 -0.12800 1.000 N42 N -0.55900 -0.82700 -0.30700 1.000 H43 H -5.52500 -5.07500 0.76100 1.000 H44 H -6.36900 -3.76400 1.62200 1.000 H45 H -6.66400 -4.02300 -0.11400 1.000 H46 H -7.24400 -2.15000 0.61800 1.000 H47 H -7.56900 2.30100 0.89200 1.000 H48 H -7.96100 2.03700 -0.82500 1.000 H49 H -9.94400 1.99300 1.49600 1.000 H50 H -9.77400 3.29200 0.29000 1.000 H51 H -12.03800 3.00500 -0.49100 1.000 H52 H -12.61300 1.38600 -0.95700 1.000 H53 H -12.28600 1.75600 0.75300 1.000 H54 H -10.73700 -0.20800 0.77700 1.000 H55 H -11.12900 -0.47200 -0.93900 1.000 H56 H -8.75400 -0.16400 -1.54400 1.000 H57 H -8.92400 -1.46300 -0.33800 1.000 H58 H -6.05500 1.87800 -0.18400 1.000 H59 H -3.72600 1.13700 -0.47000 1.000 H60 H -2.64800 -2.26000 -0.48900 1.000 H61 H -1.35700 2.64800 0.97900 1.000 H62 H 1.45000 2.80600 -0.52100 1.000 H63 H 3.42600 2.40600 0.73500 1.000 H64 H 1.52600 -2.29200 -2.61600 1.000 H65 H 2.32400 -3.43200 -1.50700 1.000 H66 H 0.77200 -2.68800 -1.05400 1.000 H67 H 6.34700 -1.19600 -0.97900 1.000 H68 H 7.92300 2.47000 -2.21400 1.000 H69 H 6.48200 1.60300 -1.63100 1.000 H70 H 6.24400 3.94500 -1.02500 1.000 H71 H 6.57000 3.02300 0.46300 1.000 H72 H 7.87000 3.96900 -0.30000 1.000 H73 H 9.91300 2.58000 -0.50200 1.000 H74 H 11.35000 1.09300 0.83200 1.000 H75 H 10.50900 -1.09800 1.57400 1.000 H76 H 8.61500 -2.49000 2.02000 1.000 H77 H 7.01300 -2.10400 1.34600 1.000 H78 H 7.75400 -2.91000 -0.87800 1.000 H79 H 9.35600 -3.29600 -0.20500 1.000 H80 H 7.91900 -4.18700 0.35100 1.000 H81 H 0.99500 3.09200 1.16800 1.000 H82 H 2.55000 1.47600 1.97300 1.000