# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FRE' 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 -12.72100 -5.79300 -1.34100 1.000 C1 C -12.90200 -4.78200 -2.17100 1.000 N2 N -12.18700 -3.67800 -2.10700 1.000 C3 C -11.24100 -3.53700 -1.18500 1.000 C4 C -11.00500 -4.58700 -0.28200 1.000 C5 C -11.79400 -5.74500 -0.38900 1.000 N6 N -11.61100 -6.80900 0.47600 1.000 N7 N -9.99900 -4.19200 0.53600 1.000 C8 C -9.60900 -2.99800 0.19700 1.000 N9 N -10.34300 -2.55100 -0.86200 1.000 C10 C -10.20200 -1.25400 -1.52800 1.000 C11 C -11.12800 -0.19700 -0.87500 1.000 O12 O -12.43600 -0.24000 -1.44900 1.000 C13 C -10.41000 1.13000 -1.23400 1.000 O14 O -11.01300 1.73000 -2.38200 1.000 P15 P -11.51400 3.19300 -1.93300 1.000 O16 O -12.08800 3.98000 -3.21500 1.000 O17 O -12.67500 3.04700 -0.82800 1.000 O18 O -10.37800 3.94900 -1.35900 1.000 C19 C -8.96100 0.70100 -1.53900 1.000 O20 O -8.87800 -0.71700 -1.32100 1.000 C21 C -7.99500 1.42900 -0.60300 1.000 O22 O -6.65000 1.11000 -0.96400 1.000 P23 P -5.69200 1.90600 0.05700 1.000 O24 O -5.86400 3.49000 -0.17100 1.000 O25 O -6.06200 1.56400 1.44800 1.000 O26 O -4.16000 1.48800 -0.20900 1.000 P27 P -3.33700 1.86800 1.12200 1.000 O28 O -3.12400 3.46200 1.18500 1.000 O29 O -4.09400 1.42400 2.31300 1.000 O30 O -1.90300 1.13600 1.09300 1.000 C31 C 0.10200 0.74300 2.38300 1.000 C32 C -1.27300 1.41300 2.34500 1.000 C33 C -0.06400 -0.76900 2.22000 1.000 C34 C 0.96700 1.28700 1.24400 1.000 C35 C 0.77700 1.04000 3.72300 1.000 O36 O -0.09200 0.65700 4.79000 1.000 C37 C 2.06500 0.26300 3.82000 1.000 O38 O 2.13500 -0.70600 4.54800 1.000 N39 N 3.13800 0.64300 3.09900 1.000 C40 C 4.37600 -0.13700 3.16200 1.000 C41 C 5.43000 0.50500 2.25700 1.000 C42 C 6.70400 -0.29700 2.32100 1.000 O43 O 6.76300 -1.28600 3.02100 1.000 N44 N 7.77700 0.08300 1.60000 1.000 C45 C 9.01500 -0.69700 1.66200 1.000 C46 C 10.06900 -0.05400 0.75700 1.000 S47 S 11.59900 -1.01800 0.83400 1.000 C48 C 18.75400 -0.98900 -2.14300 1.000 C49 C 17.96100 -1.72700 -1.26800 1.000 C50 C 16.65900 -1.33800 -1.01700 1.000 C51 C 16.14000 -0.19700 -1.63900 1.000 C52 C 16.94100 0.54600 -2.51300 1.000 C53 C 18.24200 0.15000 -2.76000 1.000 C54 C 14.75500 0.22000 -1.37400 1.000 C55 C 13.98300 -0.49700 -0.53100 1.000 C56 C 12.60600 -0.08200 -0.26800 1.000 O57 O 12.15500 0.91100 -0.81000 1.000 O58 O 18.46700 -2.83600 -0.66400 1.000 O59 O 20.03400 -1.37500 -2.38800 1.000 O60 O 19.02200 0.87100 -3.60900 1.000 C61 C 18.22400 1.96000 -4.07800 1.000 H62 H -13.66600 -4.86300 -2.93000 1.000 H63 H -10.93200 -6.76200 1.16600 1.000 H64 H -12.16300 -7.60300 0.39100 1.000 H65 H -8.82100 -2.44200 0.68300 1.000 H66 H -10.41600 -1.34600 -2.59300 1.000 H67 H -11.17400 -0.33600 0.20500 1.000 H68 H -12.79100 -1.12100 -1.27000 1.000 H69 H -10.43300 1.81800 -0.38800 1.000 H70 H -12.37700 4.84900 -2.90300 1.000 H71 H -13.39400 2.55100 -1.24200 1.000 H72 H -8.71700 0.93200 -2.57600 1.000 H73 H -8.17900 1.11600 0.42500 1.000 H74 H -8.14800 2.50500 -0.68800 1.000 H75 H 33.83800 57.29000 36.29700 1.000 H76 H 35.25500 52.76300 38.18900 1.000 H77 H -1.88900 1.02600 3.15600 1.000 H78 H -1.15500 2.49100 2.46100 1.000 H79 H -0.68000 -1.15700 3.03100 1.000 H80 H -0.54500 -0.98100 1.26500 1.000 H81 H 0.91600 -1.24700 2.24700 1.000 H82 H 1.89500 0.71800 1.18900 1.000 H83 H 0.42700 1.19400 0.30200 1.000 H84 H 1.19500 2.33600 1.43100 1.000 H85 H 0.99100 2.10700 3.79400 1.000 H86 H -0.25500 -0.29100 4.69100 1.000 H87 H 3.09000 1.43400 2.53900 1.000 H88 H 4.18100 -1.15500 2.82600 1.000 H89 H 4.74200 -0.15700 4.18800 1.000 H90 H 5.62500 1.52400 2.59200 1.000 H91 H 5.06400 0.52500 1.23000 1.000 H92 H 7.72900 0.87400 1.04000 1.000 H93 H 8.82000 -1.71500 1.32600 1.000 H94 H 9.38100 -0.71600 2.68800 1.000 H95 H 10.26400 0.96400 1.09300 1.000 H96 H 9.70300 -0.03500 -0.27000 1.000 H97 H 16.04400 -1.91300 -0.34100 1.000 H98 H 16.54300 1.42700 -2.99400 1.000 H99 H 14.35500 1.10100 -1.85500 1.000 H100 H 14.38300 -1.37700 -0.05000 1.000 H101 H 18.27900 -3.58300 -1.24800 1.000 H102 H 20.00500 -1.97700 -3.14400 1.000 H103 H 18.81000 2.56900 -4.76700 1.000 H104 H 17.34600 1.57100 -4.59400 1.000 H105 H 17.90800 2.57000 -3.23200 1.000