# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CIQ' 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 -2.13000 -0.96600 -0.26700 1.000 C1 C -1.19300 -1.89800 -0.21400 1.000 N2 N 0.08900 -1.62200 -0.19900 1.000 C3 C 0.51100 -0.34800 -0.23700 1.000 C4 C -0.45500 0.68700 -0.29400 1.000 C5 C -1.82300 0.32400 -0.30800 1.000 C6 C 0.66200 4.61500 -0.41400 1.000 C7 C -8.79800 0.99200 1.94700 1.000 C8 C -9.15300 2.36600 -0.10900 1.000 C9 C 1.87200 -0.01900 -0.22100 1.000 C10 C -0.04300 2.02500 -0.33400 1.000 C11 C -0.95300 -6.19400 -0.05200 1.000 C12 C -1.52600 -5.45700 1.16000 1.000 C13 C -1.47700 -5.54900 -1.33600 1.000 C14 C 10.59800 0.00200 0.25600 1.000 C15 C 10.10600 0.83300 1.46300 1.000 C16 C 5.92800 1.09700 -0.18100 1.000 C17 C 4.50200 0.54300 -0.19000 1.000 C18 C -1.09400 -3.99000 1.11500 1.000 C19 C -1.04500 -4.08100 -1.38200 1.000 C20 C -5.05400 1.98600 -1.04500 1.000 C21 C -4.71000 0.68900 1.06000 1.000 C22 C 9.28900 -0.61900 -0.29400 1.000 C23 C 8.61300 1.09300 1.19100 1.000 C24 C 6.92500 -0.06200 -0.12000 1.000 C25 C -6.53300 1.59300 -1.00200 1.000 C26 C -6.19800 0.33400 1.04200 1.000 N27 N -2.81000 1.28600 -0.36300 1.000 O28 O 1.68800 3.62200 -0.35700 1.000 O29 O 3.57100 1.62600 -0.24700 1.000 C30 C 1.28900 2.32300 -0.31800 1.000 C31 C 2.25100 1.30400 -0.26200 1.000 C32 C -8.39900 1.17200 0.48100 1.000 C33 C -4.22000 0.88900 -0.37700 1.000 C34 C -1.61800 -3.34400 -0.17000 1.000 N35 N 8.29400 0.46900 -0.11200 1.000 N36 N -6.95300 1.41400 0.39400 1.000 H37 H 1.11500 5.60600 -0.44000 1.000 H38 H 0.06100 4.46600 -1.31100 1.000 H39 H 0.02500 4.53000 0.46700 1.000 H40 H -8.54600 1.89300 2.50600 1.000 H41 H -9.87100 0.81200 2.01200 1.000 H42 H -8.26100 0.14100 2.36800 1.000 H43 H -8.90100 3.26700 0.45000 1.000 H44 H -8.86800 2.49400 -1.15300 1.000 H45 H -10.22600 2.18600 -0.04400 1.000 H46 H 2.61900 -0.79800 -0.17800 1.000 H47 H -0.77600 2.81700 -0.37800 1.000 H48 H 0.13500 -6.13500 -0.03300 1.000 H49 H -1.26000 -7.24000 -0.02000 1.000 H50 H -2.61400 -5.51600 1.14100 1.000 H51 H -1.15300 -5.91700 2.07500 1.000 H52 H -1.06900 -6.07400 -2.20000 1.000 H53 H -2.56500 -5.60800 -1.35500 1.000 H54 H 11.06300 0.64500 -0.49100 1.000 H55 H 11.28800 -0.77700 0.57900 1.000 H56 H 10.22900 0.26800 2.38700 1.000 H57 H 10.65000 1.77600 1.52000 1.000 H58 H 6.09800 1.67500 -1.08900 1.000 H59 H 6.06300 1.73900 0.68900 1.000 H60 H 4.36600 -0.09900 -1.06000 1.000 H61 H 4.33100 -0.03500 0.71900 1.000 H62 H -1.50200 -3.46400 1.97800 1.000 H63 H -0.00600 -3.93000 1.13400 1.000 H64 H 0.04300 -4.02200 -1.36200 1.000 H65 H -1.41800 -3.62100 -2.29700 1.000 H66 H -4.73900 2.10300 -2.08100 1.000 H67 H -4.91200 2.92600 -0.51200 1.000 H68 H -4.56200 1.60900 1.62600 1.000 H69 H -4.14800 -0.12000 1.52700 1.000 H70 H 9.39500 -0.87000 -1.34900 1.000 H71 H 9.00700 -1.49800 0.28500 1.000 H72 H 8.00800 0.64100 1.97700 1.000 H73 H 8.42500 2.16600 1.14500 1.000 H74 H 6.75400 -0.64100 0.78900 1.000 H75 H 6.78900 -0.70500 -0.99000 1.000 H76 H -7.13100 2.37800 -1.46400 1.000 H77 H -6.67600 0.66000 -1.54600 1.000 H78 H -6.34300 -0.59300 0.48700 1.000 H79 H -6.55300 0.20500 2.06400 1.000 H80 H -2.57100 2.22600 -0.39300 1.000 H81 H -8.65100 0.27100 -0.07700 1.000 H82 H -4.33100 -0.04200 -0.93300 1.000 H83 H -2.70600 -3.40300 -0.18900 1.000