# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0T1' 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 -5.38900 6.16500 1.72800 1.000 C1 C -6.09700 5.10100 2.06000 1.000 N2 N -5.74400 3.88100 1.71300 1.000 C3 C -4.64100 3.67100 1.00200 1.000 C4 C -3.85300 4.77100 0.62300 1.000 C5 C -4.27100 6.05300 1.01800 1.000 N6 N -3.53500 7.17400 0.67400 1.000 N7 N -2.80400 4.28600 -0.08300 1.000 C8 C -2.89600 2.99000 -0.16100 1.000 N9 N -4.01300 2.56200 0.49300 1.000 C10 C -4.46000 1.17400 0.62800 1.000 C11 C -5.49000 0.82300 -0.47600 1.000 O12 O -6.81300 1.18400 -0.07300 1.000 C13 C -5.34500 -0.71500 -0.57800 1.000 O14 O -6.36400 -1.36600 0.18400 1.000 P15 P -7.41800 -2.39600 -0.46300 1.000 O16 O -8.35700 -1.61500 -1.51200 1.000 O17 O -6.68800 -3.47600 -1.16200 1.000 O18 O -8.33000 -3.03200 0.70200 1.000 C19 C -3.95500 -1.00400 0.02300 1.000 O20 O -3.37000 0.26200 0.37400 1.000 C21 C -3.07800 -1.71300 -1.01100 1.000 O22 O -1.83500 -2.08000 -0.41000 1.000 P23 P -0.66700 -2.84700 -1.20900 1.000 O24 O -0.31500 -2.07900 -2.42500 1.000 O25 O -1.17900 -4.31400 -1.63100 1.000 O26 O 0.63100 -2.98100 -0.26500 1.000 P27 P 2.19400 -3.24600 -0.54400 1.000 O28 O 2.41800 -4.79500 -0.91900 1.000 O29 O 2.64500 -2.39600 -1.66900 1.000 O30 O 3.04300 -2.88500 0.77500 1.000 C31 C 4.95200 -2.52000 2.21200 1.000 C32 C 4.47100 -2.91400 0.81400 1.000 C33 C 4.46200 -1.10800 2.54000 1.000 C34 C 4.39300 -3.50500 3.24000 1.000 C35 C 6.48100 -2.55100 2.25300 1.000 O36 O 6.93400 -3.89500 2.07600 1.000 C37 C 7.03100 -1.68500 1.15000 1.000 O38 O 7.61100 -2.19300 0.21300 1.000 N39 N 6.87900 -0.34700 1.20300 1.000 C40 C 7.32700 0.48600 0.08500 1.000 C41 C 7.04000 1.95600 0.39800 1.000 C42 C 7.50100 2.81400 -0.75200 1.000 O43 O 8.00900 2.30000 -1.72600 1.000 N44 N 7.34900 4.15200 -0.69800 1.000 C45 C 7.79700 4.98600 -1.81700 1.000 C46 C 7.51000 6.45600 -1.50400 1.000 C47 C 7.97800 7.32600 -2.67200 1.000 H48 H -6.99900 5.23600 2.63800 1.000 H49 H -3.83400 8.05400 0.95200 1.000 H50 H -2.72100 7.08000 0.15600 1.000 H51 H -2.19100 2.34800 -0.66900 1.000 H52 H -4.88500 1.00300 1.61700 1.000 H53 H -5.22800 1.30200 -1.41900 1.000 H54 H -6.92900 2.13000 0.09200 1.000 H55 H -5.38300 -1.03400 -1.62000 1.000 H56 H -8.86700 -0.89200 -1.12200 1.000 H57 H -8.99000 -3.66400 0.38500 1.000 H58 H -4.05800 -1.62600 0.91200 1.000 H59 H -3.58800 -2.60800 -1.36700 1.000 H60 H -2.89200 -1.04300 -1.85000 1.000 H61 H -1.42700 -4.87400 -0.88200 1.000 H62 H 2.14400 -5.41100 -0.22600 1.000 H63 H 4.82000 -3.92000 0.58000 1.000 H64 H 4.86900 -2.21200 0.08100 1.000 H65 H 4.76500 -0.42400 1.74700 1.000 H66 H 3.37500 -1.11000 2.62200 1.000 H67 H 4.89600 -0.78300 3.48500 1.000 H68 H 4.66700 -3.17800 4.24300 1.000 H69 H 3.30700 -3.54300 3.15500 1.000 H70 H 4.80700 -4.49700 3.05500 1.000 H71 H 6.82600 -2.17500 3.21700 1.000 H72 H 6.66300 -4.29400 1.23800 1.000 H73 H 6.47300 0.06400 1.98200 1.000 H74 H 8.39800 0.34900 -0.06400 1.000 H75 H 6.79400 0.19700 -0.82000 1.000 H76 H 5.96900 2.09400 0.54700 1.000 H77 H 7.57300 2.24600 1.30400 1.000 H78 H 6.94300 4.56300 0.08000 1.000 H79 H 8.86800 4.84800 -1.96600 1.000 H80 H 7.26400 4.69600 -2.72200 1.000 H81 H 6.43900 6.59300 -1.35500 1.000 H82 H 8.04300 6.74500 -0.59800 1.000 H83 H 9.04900 7.18900 -2.82100 1.000 H84 H 7.44500 7.03700 -3.57700 1.000 H85 H 7.77400 8.37400 -2.44900 1.000