# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0YP' 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 -1.70200 0.76600 0.59300 1.000 N1 N -0.81600 -0.24800 0.53800 1.000 O2 O -1.32300 1.89000 0.86100 1.000 C3 C 0.55200 0.00800 0.69000 1.000 N4 N 1.35000 2.20900 0.00900 1.000 O5 O 1.09300 1.72700 2.16300 1.000 C6 C 1.01400 1.36400 1.00400 1.000 C7 C 1.91700 3.53100 0.30900 1.000 C8 C 3.23500 3.68700 -0.45600 1.000 C9 C 2.99000 3.43100 -1.94500 1.000 C10 C 2.48300 2.00100 -2.14200 1.000 C11 C 1.16200 1.82400 -1.39600 1.000 C12 C 1.45000 -0.99800 0.54600 1.000 C13 C 2.89000 -0.71100 0.60800 1.000 C14 C 3.72200 -1.03300 -0.47700 1.000 C15 C 5.07800 -0.75800 -0.40700 1.000 C16 C 5.60900 -0.17000 0.72600 1.000 C17 C 4.79300 0.14900 1.79900 1.000 C18 C 3.44000 -0.11100 1.74500 1.000 C19 C -3.13300 0.51300 0.32200 1.000 C20 C -4.05300 1.56200 0.37900 1.000 C21 C -5.38700 1.31900 0.12500 1.000 C22 C -5.81400 0.04000 -0.18500 1.000 C23 C -4.90700 -1.00400 -0.24300 1.000 C24 C -3.56900 -0.77400 0.00400 1.000 N25 N -7.24700 -0.21300 -0.45600 1.000 O26 O -7.62600 -1.33900 -0.72900 1.000 C27 C 4.12000 -2.01100 -2.60500 1.000 O28 O -8.04700 0.70300 -0.40500 1.000 O29 O 3.20000 -1.61100 -1.58800 1.000 Br30 Br 0.85000 -2.76900 0.26600 1.000 H31 H -1.12700 -1.15600 0.39300 1.000 H32 H 1.21900 4.30700 -0.00300 1.000 H33 H 2.10200 3.61500 1.38000 1.000 H34 H 3.61800 4.69800 -0.31900 1.000 H35 H 3.96300 2.96800 -0.07800 1.000 H36 H 2.24300 4.13500 -2.31300 1.000 H37 H 3.92000 3.56700 -2.49700 1.000 H38 H 2.33000 1.81200 -3.20500 1.000 H39 H 3.21700 1.29800 -1.74900 1.000 H40 H 0.84800 0.78100 -1.45100 1.000 H41 H 0.40000 2.46100 -1.84500 1.000 H42 H 5.72100 -1.00400 -1.23900 1.000 H43 H 6.66700 0.04100 0.77500 1.000 H44 H 5.21800 0.60700 2.67900 1.000 H45 H 2.80700 0.14400 2.58200 1.000 H46 H -3.72100 2.56000 0.62100 1.000 H47 H -6.10000 2.12900 0.16900 1.000 H48 H -5.24700 -2.00000 -0.48500 1.000 H49 H -2.86200 -1.58800 -0.04700 1.000 H50 H 4.77000 -2.79600 -2.21900 1.000 H51 H 3.56900 -2.38600 -3.46700 1.000 H52 H 4.72500 -1.15400 -2.90500 1.000