# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'DRR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -1.77200 3.69400 -3.54300 1.000 C1 C -1.58700 3.09000 -2.15000 1.000 C2 C -2.95500 2.89500 -1.49200 1.000 C3 C -3.60700 4.25900 -1.25800 1.000 C4 C -2.77900 2.17700 -0.15300 1.000 N5 N -2.00800 0.93200 -0.35800 1.000 C6 C -2.56900 0.01200 -1.19400 1.000 O7 O -3.65900 0.21400 -1.68600 1.000 C8 C -4.13300 1.84000 0.41800 1.000 O9 O -5.10900 1.78100 -0.29900 1.000 N10 N -4.23800 1.60100 1.75800 1.000 C11 C -5.60400 1.38300 2.28100 1.000 C12 C -6.42800 0.63800 1.23200 1.000 C13 C -7.46400 -0.24500 1.93500 1.000 O14 O -7.33600 -1.58500 1.44200 1.000 C15 C -6.25700 -1.81600 0.64600 1.000 C16 C -5.04700 -2.18900 1.21300 1.000 C17 C -3.94000 -2.38600 0.41100 1.000 C18 C -6.36400 -1.68500 -0.73100 1.000 C19 C -5.25300 -1.88400 -1.52800 1.000 C20 C -4.03800 -2.21600 -0.95800 1.000 C21 C -2.81700 -2.37200 -1.82600 1.000 C22 C -1.81800 -1.25900 -1.50000 1.000 N23 N -1.01800 -1.64600 -0.33500 1.000 C24 C 0.20900 -1.11700 -0.15400 1.000 O25 O 0.65000 -0.32100 -0.95600 1.000 C26 C 1.03200 -1.51500 1.04300 1.000 C27 C 0.92900 -0.43200 2.12000 1.000 C28 C 2.14100 0.46200 2.04100 1.000 C29 C 2.20400 1.45500 1.08100 1.000 C30 C 3.31600 2.27100 1.00200 1.000 C31 C 3.18700 0.28600 2.92800 1.000 C32 C 4.30100 1.10000 2.85400 1.000 C33 C 4.36900 2.09400 1.88800 1.000 O34 O 5.46700 2.89100 1.80800 1.000 C35 C 6.60100 2.36400 1.11500 1.000 C36 C 6.27100 2.23300 -0.37400 1.000 C37 C 7.24500 1.25000 -1.02700 1.000 C38 C 6.52400 0.48100 -2.13600 1.000 C39 C 5.93300 -0.78400 -1.56900 1.000 O40 O 6.63900 -1.61100 -1.03100 1.000 N41 N 4.58100 -0.97800 -1.67300 1.000 C42 C 4.09800 -2.25600 -1.09400 1.000 C43 C 4.97800 -2.64600 0.09600 1.000 C44 C 5.08000 -1.46500 1.06300 1.000 C45 C 4.35900 -3.84500 0.81700 1.000 C46 C 2.67600 -2.06700 -0.63100 1.000 O47 O 1.75000 -2.27900 -1.38400 1.000 N48 N 2.44900 -1.65500 0.64700 1.000 H49 H -2.37600 3.02300 -4.15300 1.000 H50 H -2.27400 4.65800 -3.45700 1.000 H51 H -0.79700 3.83300 -4.01100 1.000 H52 H -1.08400 2.12600 -2.23500 1.000 H53 H -0.98300 3.76100 -1.53900 1.000 H54 H -3.58900 2.29600 -2.14500 1.000 H55 H -2.97500 4.85600 -0.60100 1.000 H56 H -3.72700 4.77300 -2.21200 1.000 H57 H -4.58400 4.12000 -0.79500 1.000 H58 H -2.24400 2.82600 0.54000 1.000 H59 H -1.15500 0.77900 0.07600 1.000 H60 H -3.45900 1.57600 2.33500 1.000 H61 H -5.55400 0.79000 3.19400 1.000 H62 H -6.07000 2.34500 2.49500 1.000 H63 H -6.93800 1.35800 0.59200 1.000 H64 H -5.76900 0.01500 0.62700 1.000 H65 H -7.28600 -0.23200 3.01000 1.000 H66 H -8.46600 0.12800 1.72400 1.000 H67 H -4.97100 -2.32600 2.28200 1.000 H68 H -2.99700 -2.67200 0.85300 1.000 H69 H -7.31300 -1.43000 -1.17800 1.000 H70 H -5.33400 -1.77900 -2.60000 1.000 H71 H -2.35600 -3.34200 -1.63500 1.000 H72 H -3.10600 -2.30600 -2.87500 1.000 H73 H -1.16200 -1.09600 -2.35500 1.000 H74 H -1.37100 -2.28200 0.30600 1.000 H75 H 0.66500 -2.46100 1.44100 1.000 H76 H 0.02900 0.16100 1.95700 1.000 H77 H 0.88500 -0.89900 3.10400 1.000 H78 H 1.38400 1.59200 0.39300 1.000 H79 H 3.36500 3.04600 0.25200 1.000 H80 H 3.13400 -0.48800 3.67900 1.000 H81 H 5.11800 0.96300 3.54700 1.000 H82 H 7.44900 3.03600 1.24100 1.000 H83 H 6.85100 1.38300 1.51900 1.000 H84 H 5.25200 1.86500 -0.48900 1.000 H85 H 6.36300 3.20700 -0.85300 1.000 H86 H 8.08500 1.79900 -1.45300 1.000 H87 H 7.61100 0.54900 -0.27800 1.000 H88 H 5.72700 1.10000 -2.54900 1.000 H89 H 7.23400 0.22900 -2.92400 1.000 H90 H 3.98800 -0.33400 -2.09100 1.000 H91 H 4.13800 -3.03900 -1.85100 1.000 H92 H 5.97300 -2.91100 -0.26000 1.000 H93 H 4.34800 -1.58600 1.86200 1.000 H94 H 6.08200 -1.43100 1.49100 1.000 H95 H 4.88200 -0.53700 0.52700 1.000 H96 H 4.16100 -4.63900 0.09800 1.000 H97 H 5.04900 -4.20700 1.57900 1.000 H98 H 3.42400 -3.54100 1.28900 1.000 H99 H 3.17500 -1.46400 1.26200 1.000