# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0U4' 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 3.22000 6.51500 0.11700 1.000 C1 C 1.99700 7.15400 0.02700 1.000 C2 C 0.86200 6.54700 0.52900 1.000 C3 C 0.94800 5.30000 1.12100 1.000 C4 C 2.17100 4.66100 1.20900 1.000 C5 C 3.30600 5.26800 0.70800 1.000 C6 C 4.63800 4.56900 0.80000 1.000 C7 C 5.21400 4.75200 2.20500 1.000 N8 N 4.45900 3.14000 0.52800 1.000 C9 C 5.49000 2.40900 0.06000 1.000 O10 O 6.56900 2.93500 -0.13600 1.000 C11 C 5.31000 0.96700 -0.21400 1.000 C12 C 4.07400 0.36400 0.01000 1.000 C13 C 6.37600 0.21100 -0.70400 1.000 C14 C 6.20700 -1.14200 -0.96200 1.000 N15 N 7.27600 -1.89700 -1.45300 1.000 C16 C 7.31800 -3.34300 -1.22300 1.000 S17 S 8.49500 -1.15600 -2.29500 1.000 C18 C 9.70300 -0.69000 -1.02500 1.000 O19 O 9.01800 -2.18200 -3.12800 1.000 O20 O 7.88400 -0.00000 -2.85100 1.000 C21 C 4.97900 -1.74700 -0.73400 1.000 C22 C 3.90800 -0.99500 -0.25000 1.000 C23 C 2.59900 -1.63900 -0.01300 1.000 O24 O 2.45400 -2.82500 -0.24000 1.000 N25 N 1.56500 -0.91200 0.45600 1.000 C26 C 0.26700 -1.55000 0.69100 1.000 C27 C 0.25700 -2.18800 2.08100 1.000 C28 C 1.26600 -3.30700 2.12800 1.000 C29 C 0.89000 -4.59200 1.78300 1.000 C30 C 1.81600 -5.61800 1.82600 1.000 C31 C 3.11700 -5.35900 2.21300 1.000 C32 C 3.49300 -4.07400 2.55700 1.000 C33 C 2.56900 -3.04700 2.51000 1.000 C34 C -0.84100 -0.49900 0.60400 1.000 O35 O -0.68700 0.44500 1.66500 1.000 C36 C -2.20400 -1.18400 0.72500 1.000 N37 N -3.27000 -0.19400 0.52300 1.000 C38 C -4.59500 -0.81700 0.63200 1.000 C39 C -5.67700 0.24300 0.41600 1.000 C40 C -7.05800 -0.40600 0.53000 1.000 C41 C -7.24800 -1.40700 -0.61300 1.000 C42 C -8.65300 -2.00800 -0.52900 1.000 C43 C -8.14000 0.67400 0.43800 1.000 C44 C -9.51900 0.01300 0.49100 1.000 N45 N -9.65200 -0.93500 -0.62200 1.000 C46 C -11.01200 -1.48700 -0.68400 1.000 C47 C -11.98500 -0.38700 -1.02400 1.000 C48 C -12.57400 0.35200 -0.01400 1.000 C49 C -13.46600 1.36000 -0.32600 1.000 C50 C -13.76900 1.63100 -1.64800 1.000 C51 C -13.18100 0.89200 -2.65700 1.000 C52 C -12.28500 -0.11300 -2.34500 1.000 H53 H 4.10700 6.98700 -0.27900 1.000 H54 H 1.93000 8.12800 -0.43500 1.000 H55 H -0.09300 7.04600 0.46000 1.000 H56 H 0.06100 4.82600 1.51400 1.000 H57 H 2.23800 3.68700 1.67100 1.000 H58 H 5.32400 4.99500 0.06800 1.000 H59 H 4.52900 4.32600 2.93800 1.000 H60 H 6.17800 4.24600 2.27200 1.000 H61 H 5.34700 5.81500 2.40800 1.000 H62 H 3.59900 2.72100 0.68400 1.000 H63 H 3.24700 0.94800 0.38500 1.000 H64 H 7.33200 0.67900 -0.88200 1.000 H65 H 6.81700 -3.85600 -2.04300 1.000 H66 H 8.35600 -3.67200 -1.16900 1.000 H67 H 6.81300 -3.57600 -0.28500 1.000 H68 H 9.23500 -0.01500 -0.30900 1.000 H69 H 10.05100 -1.58400 -0.50800 1.000 H70 H 10.55000 -0.19000 -1.49500 1.000 H71 H 4.85100 -2.80000 -0.93600 1.000 H72 H 1.68000 0.03400 0.63700 1.000 H73 H 0.09900 -2.31900 -0.06300 1.000 H74 H 0.51400 -1.43700 2.82800 1.000 H75 H -0.73600 -2.58600 2.29200 1.000 H76 H -0.12700 -4.79400 1.48100 1.000 H77 H 1.52200 -6.62200 1.55700 1.000 H78 H 3.84000 -6.16100 2.24700 1.000 H79 H 4.51000 -3.87200 2.85900 1.000 H80 H 2.86400 -2.04300 2.77500 1.000 H81 H -0.77800 0.01700 -0.35400 1.000 H82 H -0.73200 0.05400 2.54900 1.000 H83 H -2.28600 -1.96600 -0.03000 1.000 H84 H -2.30200 -1.62500 1.71700 1.000 H85 H -3.16300 0.27600 -0.36400 1.000 H86 H -4.69400 -1.59600 -0.12300 1.000 H87 H -4.71000 -1.25600 1.62300 1.000 H88 H -5.57800 1.02300 1.17100 1.000 H89 H -5.56200 0.68200 -0.57600 1.000 H90 H -7.13900 -0.92300 1.48600 1.000 H91 H -7.12800 -0.89600 -1.56800 1.000 H92 H -6.50700 -2.20200 -0.52800 1.000 H93 H -8.79700 -2.71100 -1.34900 1.000 H94 H -8.76900 -2.53000 0.42100 1.000 H95 H -8.03500 1.36600 1.27300 1.000 H96 H -8.03300 1.21700 -0.50100 1.000 H97 H -9.63000 -0.51900 1.43600 1.000 H98 H -10.29200 0.77700 0.41200 1.000 H99 H -11.05600 -2.26000 -1.45100 1.000 H100 H -11.27400 -1.91800 0.28200 1.000 H101 H -12.33700 0.14000 1.01800 1.000 H102 H -13.92600 1.93700 0.46200 1.000 H103 H -14.46700 2.41800 -1.89100 1.000 H104 H -13.41800 1.10300 -3.68900 1.000 H105 H -11.82100 -0.68800 -3.13400 1.000