# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '079' 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 4.19300 1.05100 0.37500 1.000 O1 O 4.23900 1.58500 1.46200 1.000 C2 C 5.46200 0.58400 -0.29000 1.000 O3 O 6.57800 0.88100 0.55200 1.000 C4 C 7.80700 0.52300 0.09600 1.000 C5 C 8.93500 0.78100 0.86200 1.000 C6 C 10.18300 0.41600 0.39600 1.000 C7 C 10.30900 -0.20700 -0.83100 1.000 C8 C 9.18700 -0.46600 -1.59700 1.000 C9 C 7.93600 -0.10800 -1.13300 1.000 N10 N 3.00600 0.86900 -0.23600 1.000 C11 C 1.77100 1.31700 0.41300 1.000 C12 C 0.61000 0.50700 -0.10300 1.000 O13 O 0.65500 0.02100 -1.21300 1.000 C14 C 1.53900 2.79700 0.10100 1.000 C15 C 1.30500 2.97100 -1.40100 1.000 C16 C 0.31400 3.29500 0.87000 1.000 C17 C -8.21600 0.79100 -1.37800 1.000 C18 C -9.41200 1.47500 -1.26500 1.000 C19 C -10.20300 1.30300 -0.14500 1.000 C20 C -9.79800 0.44700 0.86300 1.000 C21 C -8.60200 -0.23700 0.74900 1.000 C22 C -7.81100 -0.06500 -0.37100 1.000 C23 C -6.51000 -0.81500 -0.49800 1.000 C24 C -5.37900 0.02000 0.10700 1.000 O25 O -5.59500 0.16800 1.51200 1.000 C26 C -4.04200 -0.68400 -0.13200 1.000 N27 N -3.82000 -0.83600 -1.57600 1.000 C28 C -2.91100 0.15100 0.47300 1.000 O29 O -2.90800 1.45000 -0.12200 1.000 C30 C -1.57000 -0.53600 0.20500 1.000 C31 C -1.52200 -1.87000 0.95300 1.000 C32 C -0.25600 -2.60300 0.59200 1.000 C33 C -0.24000 -3.46600 -0.48700 1.000 C34 C 0.92200 -4.13800 -0.81800 1.000 C35 C 2.06800 -3.94700 -0.06900 1.000 C36 C 2.05200 -3.08300 1.01000 1.000 C37 C 0.89200 -2.40800 1.33800 1.000 N38 N -0.47900 0.32400 0.67000 1.000 H39 H 5.41000 -0.49200 -0.45800 1.000 H40 H 5.58100 1.09500 -1.24500 1.000 H41 H 8.83700 1.26800 1.82100 1.000 H42 H 11.06100 0.61700 0.99200 1.000 H43 H 11.28600 -0.49200 -1.19400 1.000 H44 H 9.28800 -0.95200 -2.55600 1.000 H45 H 7.06000 -0.31000 -1.73200 1.000 H46 H 2.96800 0.44100 -1.10600 1.000 H47 H 1.85800 1.18300 1.49100 1.000 H48 H 2.41500 3.37300 0.40100 1.000 H49 H 0.42900 2.39500 -1.70100 1.000 H50 H 1.14000 4.02600 -1.62300 1.000 H51 H 2.17800 2.61700 -1.94900 1.000 H52 H 0.47200 3.14900 1.93900 1.000 H53 H 0.16300 4.35500 0.66600 1.000 H54 H -0.56600 2.73500 0.55300 1.000 H55 H -7.60000 0.92200 -2.25600 1.000 H56 H -9.72800 2.14300 -2.05200 1.000 H57 H -11.13700 1.83700 -0.05600 1.000 H58 H -10.41500 0.31300 1.73800 1.000 H59 H -8.28500 -0.90600 1.53600 1.000 H60 H -6.58500 -1.76400 0.03300 1.000 H61 H -6.30000 -1.00300 -1.55100 1.000 H62 H -5.36100 1.00300 -0.36400 1.000 H63 H -5.62200 -0.66900 1.99600 1.000 H64 H -4.05900 -1.66700 0.33800 1.000 H65 H -3.69700 0.06200 -2.02000 1.000 H66 H -3.03300 -1.44100 -1.75900 1.000 H67 H -3.06300 0.24400 1.54800 1.000 H68 H -2.77700 1.44400 -1.08000 1.000 H69 H -1.46100 -0.71600 -0.86500 1.000 H70 H -1.54200 -1.68600 2.02700 1.000 H71 H -2.38500 -2.47500 0.67200 1.000 H72 H -1.13600 -3.61500 -1.07200 1.000 H73 H 0.93400 -4.81300 -1.66100 1.000 H74 H 2.97500 -4.47300 -0.32700 1.000 H75 H 2.94800 -2.93400 1.59500 1.000 H76 H 0.88100 -1.73000 2.17900 1.000 H77 H -0.54100 0.76100 1.53300 1.000