# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JR9' 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 0.95500 4.56700 -1.67400 1.000 C1 C 2.13000 3.92400 -1.70300 1.000 C2 C 2.30400 2.75200 -1.06600 1.000 N3 N 1.26100 2.19100 -0.36600 1.000 C4 C 0.04900 2.84500 -0.33100 1.000 C5 C -0.07900 4.07700 -1.02000 1.000 C6 C 1.12200 1.05000 0.36200 1.000 C7 C -0.15800 1.02700 0.82500 1.000 N8 N -0.78600 2.12200 0.39300 1.000 N9 N -1.28300 4.76200 -1.00500 1.000 N10 N 2.10600 0.08600 0.59100 1.000 C11 C 3.36600 0.45200 -0.06900 1.000 C12 C 4.40100 -0.61000 0.20000 1.000 C13 C 4.53100 -1.68300 -0.66100 1.000 C14 C 5.48000 -2.65700 -0.41400 1.000 C15 C 6.30000 -2.55800 0.69400 1.000 C16 C 6.17000 -1.48500 1.55600 1.000 C17 C 5.22500 -0.50700 1.30600 1.000 C18 C -0.76500 -0.05500 1.68200 1.000 C19 C -1.48800 -1.04400 0.80400 1.000 C20 C -2.79900 -0.80700 0.43200 1.000 C21 C -3.46700 -1.71200 -0.37300 1.000 C22 C -2.82300 -2.85900 -0.80800 1.000 C23 C -1.50300 -3.09700 -0.43300 1.000 C24 C -0.83900 -2.18300 0.36800 1.000 O25 O -3.24700 -3.89100 -1.59300 1.000 C26 C -2.04900 -4.55900 -2.03100 1.000 O27 O -1.10000 -4.27900 -0.98400 1.000 Br28 Br -3.68100 0.75800 1.02600 1.000 H29 H 2.95500 4.35700 -2.24900 1.000 H30 H 3.26100 2.25200 -1.10400 1.000 H31 H -1.36700 5.60500 -1.47800 1.000 H32 H -2.04200 4.39800 -0.52300 1.000 H33 H 3.20300 0.53600 -1.14300 1.000 H34 H 3.89000 -1.76000 -1.52700 1.000 H35 H 5.58100 -3.49600 -1.08700 1.000 H36 H 7.04100 -3.31900 0.88700 1.000 H37 H 6.81100 -1.40700 2.42200 1.000 H38 H 5.12400 0.33100 1.97900 1.000 H39 H 0.02400 -0.56700 2.23300 1.000 H40 H -1.46900 0.39100 2.38400 1.000 H41 H -4.49100 -1.52400 -0.66200 1.000 H42 H 0.18500 -2.36600 0.66000 1.000 H43 H -2.21800 -5.63200 -2.11700 1.000 H44 H -1.70500 -4.14700 -2.97900 1.000 H45 H 1.79400 -0.82700 0.29400 1.000 H46 H 3.71600 1.40800 0.32100 1.000