# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JD' 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 1.01600 -1.71400 2.86000 1.000 C1 C 1.27200 -0.84500 3.90500 1.000 C2 C 1.27000 0.52000 3.68800 1.000 C3 C 1.01400 1.02500 2.42600 1.000 C4 C 0.75800 0.16800 1.37500 1.000 C5 C 0.47900 0.72100 0.00100 1.000 C6 C 1.55400 1.74800 -0.36300 1.000 C7 C 2.92100 1.06200 -0.40900 1.000 N8 N 5.30300 1.43100 -0.81700 1.000 O9 O 6.31500 3.33300 -1.35600 1.000 O10 O 7.60900 1.54100 -1.16100 1.000 C11 C 2.67800 -5.69100 -1.23400 1.000 C12 C 2.41000 -4.35200 -1.92400 1.000 C13 C 1.27400 -3.64700 -1.23000 1.000 C14 C -0.02800 -3.86300 -1.64300 1.000 C15 C -1.07600 -3.21800 -1.00900 1.000 C16 C -0.82600 -2.35600 0.03900 1.000 C17 C 0.48400 -2.13500 0.45900 1.000 C18 C 1.53500 -2.79100 -0.17900 1.000 C19 C 0.75800 -1.20900 1.58600 1.000 F20 F 1.02300 -3.04800 3.07200 1.000 O21 O 0.49500 -0.34200 -0.95300 1.000 C22 C 3.99500 2.08900 -0.77300 1.000 C23 C 6.40600 2.14500 -1.12000 1.000 C24 C 8.75200 2.37100 -1.49300 1.000 C25 C -0.89400 1.39500 -0.00900 1.000 C26 C -0.90400 2.55000 0.99600 1.000 C27 C -2.26700 3.24500 0.96400 1.000 C28 C -3.35500 2.24500 1.36600 1.000 N29 N -3.25900 1.06600 0.49500 1.000 C30 C -1.96700 0.37500 0.38200 1.000 C31 C -4.33500 0.62600 -0.18700 1.000 O32 O -4.24200 -0.34900 -0.90200 1.000 C33 C -5.65300 1.34500 -0.06100 1.000 C34 C -6.70000 0.64800 -0.93100 1.000 O35 O -6.33400 0.76900 -2.30600 1.000 C36 C -8.06600 1.30100 -0.70700 1.000 N37 N -9.09200 0.55600 -1.44900 1.000 H38 H 1.47200 -1.23400 4.89300 1.000 H39 H 1.47000 1.19600 4.50700 1.000 H40 H 1.01400 2.09300 2.26200 1.000 H41 H 1.33000 2.17800 -1.34000 1.000 H42 H 1.57000 2.53900 0.38700 1.000 H43 H 3.14400 0.63200 0.56700 1.000 H44 H 2.90500 0.27100 -1.15900 1.000 H45 H 5.37600 0.48300 -0.62900 1.000 H46 H 3.49900 -6.20100 -1.73700 1.000 H47 H 2.94200 -5.51600 -0.19100 1.000 H48 H 1.78200 -6.31000 -1.28300 1.000 H49 H 3.30600 -3.73300 -1.87600 1.000 H50 H 2.14600 -4.52700 -2.96700 1.000 H51 H -0.22700 -4.53600 -2.46300 1.000 H52 H -2.09100 -3.39000 -1.33600 1.000 H53 H -1.64500 -1.85400 0.53200 1.000 H54 H 2.55200 -2.62600 0.14600 1.000 H55 H 0.32200 -0.05900 -1.86100 1.000 H56 H 3.77100 2.51800 -1.75000 1.000 H57 H 4.01000 2.87900 -0.02300 1.000 H58 H 8.85000 3.16800 -0.75600 1.000 H59 H 9.65600 1.76200 -1.49100 1.000 H60 H 8.61000 2.80700 -2.48200 1.000 H61 H -1.10400 1.78000 -1.00700 1.000 H62 H -0.71800 2.16100 1.99700 1.000 H63 H -0.12500 3.26600 0.73400 1.000 H64 H -2.26500 4.08200 1.66300 1.000 H65 H -2.46400 3.61300 -0.04300 1.000 H66 H -3.21100 1.94600 2.40400 1.000 H67 H -4.33600 2.70700 1.25200 1.000 H68 H -2.03200 -0.39900 -0.38300 1.000 H69 H -1.71000 -0.07800 1.34000 1.000 H70 H -5.97700 1.33000 0.98000 1.000 H71 H -5.53600 2.37800 -0.39000 1.000 H72 H -6.75300 -0.40700 -0.66000 1.000 H73 H -6.26800 1.68200 -2.61700 1.000 H74 H -8.30500 1.28700 0.35600 1.000 H75 H -8.03800 2.33100 -1.06000 1.000 H76 H -9.09400 -0.41800 -1.18600 1.000 H77 H -10.00400 0.96800 -1.31800 1.000