# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '1N' 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 -1.14600 5.73700 1.44800 1.000 C1 C -1.35600 4.57500 0.74300 1.000 N2 N -2.40500 4.45700 -0.02200 1.000 N3 N -0.46000 3.53800 0.84500 1.000 C4 C -0.68300 2.30000 0.09400 1.000 C5 C 0.65500 1.59500 -0.13800 1.000 C6 C 0.42100 0.30300 -0.92200 1.000 O7 O 1.52300 2.45300 -0.88100 1.000 C8 C 2.86000 2.27700 -0.71000 1.000 C9 C 3.32800 1.20300 0.03400 1.000 C10 C 4.68600 1.02400 0.20800 1.000 C11 C 5.58300 1.91800 -0.36100 1.000 C12 C 5.11400 2.99200 -1.10500 1.000 C13 C 3.75600 3.16800 -1.28300 1.000 N14 N 6.96100 1.73700 -0.18300 1.000 C15 C 7.76000 2.80900 0.14300 1.000 N16 N 9.03500 2.63400 0.34600 1.000 N17 N 7.21200 4.06600 0.25400 1.000 C18 C -1.61300 1.38200 0.89000 1.000 C19 C -1.84600 0.08900 0.10500 1.000 N20 N -2.73600 -0.79100 0.86800 1.000 C21 C -4.12300 -0.63800 0.76900 1.000 C22 C -4.96700 -1.47200 1.49100 1.000 C23 C -6.33600 -1.32100 1.39400 1.000 C24 C -6.86900 -0.33600 0.57300 1.000 C25 C -6.02600 0.49700 -0.14900 1.000 C26 C -4.65700 0.35100 -0.04800 1.000 N27 N -8.25900 -0.18300 0.47400 1.000 C28 C -8.82100 0.25200 -0.70400 1.000 N29 N -8.07600 0.41200 -1.76200 1.000 N30 N -10.16900 0.51700 -0.76600 1.000 C31 C -0.50800 -0.61600 -0.12600 1.000 O32 O -0.72600 -1.82300 -0.85900 1.000 C33 C 0.22700 -2.78800 -0.75700 1.000 C34 C 0.06300 -3.99700 -1.41800 1.000 C35 C 1.03100 -4.97700 -1.31500 1.000 C36 C 1.36500 -2.56100 0.00300 1.000 C37 C 2.33300 -3.54000 0.10600 1.000 C38 C 2.16800 -4.75200 -0.55000 1.000 N39 N 3.15000 -5.74500 -0.44600 1.000 C40 C 3.83400 -5.91500 0.73600 1.000 N41 N 4.79700 -6.89100 0.83900 1.000 N42 N 3.56800 -5.15100 1.75800 1.000 H43 H -0.36600 5.82500 2.01700 1.000 H44 H -1.77700 6.47000 1.37300 1.000 H45 H -2.55300 3.63800 -0.51900 1.000 H46 H 0.32100 3.62600 1.41400 1.000 H47 H -1.14100 2.53600 -0.86700 1.000 H48 H 1.11200 1.36000 0.82300 1.000 H49 H -0.03600 0.53800 -1.88300 1.000 H50 H 1.37500 -0.20000 -1.08700 1.000 H51 H 2.63100 0.50800 0.47600 1.000 H52 H 5.05100 0.18800 0.78800 1.000 H53 H 5.81100 3.68600 -1.55100 1.000 H54 H 3.39100 4.00300 -1.86200 1.000 H55 H 7.35200 0.85600 -0.29100 1.000 H56 H 9.43500 1.76300 0.19700 1.000 H57 H 6.26300 4.19600 0.10300 1.000 H58 H 7.77500 4.82100 0.48400 1.000 H59 H -1.15500 1.14600 1.85100 1.000 H60 H -2.56600 1.88400 1.05500 1.000 H61 H -2.30400 0.32400 -0.85500 1.000 H62 H -2.36300 -1.47900 1.44100 1.000 H63 H -4.55200 -2.23900 2.12900 1.000 H64 H -6.99200 -1.97000 1.95500 1.000 H65 H -6.44100 1.26600 -0.78400 1.000 H66 H -4.00100 0.99900 -0.60900 1.000 H67 H -8.82500 -0.38400 1.23600 1.000 H68 H -8.47200 0.71900 -2.59200 1.000 H69 H -10.71000 0.46900 0.03700 1.000 H70 H -10.57800 0.75400 -1.61300 1.000 H71 H -0.05000 -0.85200 0.83500 1.000 H72 H -0.82100 -4.17200 -2.01200 1.000 H73 H 0.90400 -5.91800 -1.82900 1.000 H74 H 1.49400 -1.61800 0.51400 1.000 H75 H 3.22000 -3.36200 0.69800 1.000 H76 H 3.34800 -6.31300 -1.20700 1.000 H77 H 5.04700 -7.41100 0.05900 1.000 H78 H 5.22800 -7.06000 1.69200 1.000 H79 H 4.05000 -5.27100 2.59200 1.000