# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JR' 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 -0.09000 -1.83700 -1.46700 1.000 C1 C 1.06900 -1.54400 -0.77000 1.000 O2 O -1.07400 -4.71500 0.26400 1.000 C3 C 1.55000 -2.42400 0.19900 1.000 C4 C -0.66400 -0.62600 -2.06800 1.000 C5 C -1.03400 0.34800 -0.97900 1.000 C6 C -1.71300 2.13500 1.01800 1.000 C7 C -2.58500 1.11900 0.67400 1.000 C8 C -0.49700 2.25100 0.37000 1.000 C9 C -2.24500 0.22600 -0.32400 1.000 C10 C -0.16000 1.36100 -0.63200 1.000 C11 C -3.91000 0.99300 1.38000 1.000 C12 C -6.23200 1.70600 1.33400 1.000 C13 C -7.35200 1.60600 0.28200 1.000 C14 C -1.07700 -2.52700 -0.63000 1.000 C15 C -5.21800 0.97900 -0.67400 1.000 C16 C -6.62100 1.49800 -1.07600 1.000 C17 C -0.44000 -3.70000 0.06800 1.000 C18 C 2.85500 -0.14900 -0.34500 1.000 C19 C 2.72100 -2.10200 0.87900 1.000 C20 C 4.76600 1.20600 0.04200 1.000 C21 C 5.30000 2.60000 -0.29200 1.000 C22 C 6.63900 2.81800 0.41600 1.000 C23 C 7.17200 4.21200 0.08100 1.000 N24 N 0.84800 -3.61000 0.47300 1.000 N25 N 1.74500 -0.42300 -1.01100 1.000 N26 N 3.34100 -0.96100 0.57800 1.000 N27 N 3.23300 -2.95300 1.84900 1.000 N28 N -4.94600 1.68600 0.60400 1.000 O29 O 3.51600 1.00200 -0.61900 1.000 H30 H 0.06900 -0.16800 -2.73200 1.000 H31 H -1.55500 -0.89000 -2.63800 1.000 H32 H -1.98200 2.83900 1.79200 1.000 H33 H 0.18400 3.04600 0.63900 1.000 H34 H -2.92600 -0.56800 -0.59300 1.000 H35 H 0.78600 1.45700 -1.14400 1.000 H36 H -4.17200 -0.06100 1.47500 1.000 H37 H -3.83800 1.44000 2.37100 1.000 H38 H -6.32800 2.63700 1.89200 1.000 H39 H -6.28600 0.85500 2.01400 1.000 H40 H -7.95800 0.71700 0.45600 1.000 H41 H -7.97400 2.50100 0.30600 1.000 H42 H -1.46800 -1.83200 0.11400 1.000 H43 H -1.89500 -2.88300 -1.25600 1.000 H44 H -5.23600 -0.10000 -0.52000 1.000 H45 H -4.47800 1.24500 -1.42900 1.000 H46 H -7.12300 0.78500 -1.73000 1.000 H47 H -6.54800 2.47600 -1.55400 1.000 H48 H 5.48100 0.45300 -0.29200 1.000 H49 H 4.62600 1.11900 1.12000 1.000 H50 H 5.44000 2.68600 -1.37000 1.000 H51 H 4.58500 3.35200 0.04200 1.000 H52 H 6.49800 2.73100 1.49300 1.000 H53 H 7.35300 2.06500 0.08100 1.000 H54 H 6.45700 4.96400 0.41500 1.000 H55 H 8.12500 4.36700 0.58500 1.000 H56 H 7.31200 4.29800 -0.99600 1.000 H57 H 1.27600 -4.34500 0.94000 1.000 H58 H 2.77400 -3.78200 2.05900 1.000 H59 H 4.05100 -2.72000 2.31600 1.000