# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDC' 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 -3.23200 2.10200 1.11500 1.000 N1 N -2.64700 0.81700 1.51100 1.000 C2 C -2.51700 -0.06500 0.34000 1.000 C3 C -3.91400 -0.52500 -0.07800 1.000 C4 C -4.83100 0.66400 -0.20500 1.000 C5 C -6.01900 0.51100 -0.90200 1.000 C6 C -6.89000 1.57200 -1.04200 1.000 C7 C -6.57500 2.80000 -0.48000 1.000 O8 O -7.42800 3.85000 -0.61200 1.000 C9 C -5.38700 2.95300 0.21700 1.000 C10 C -4.51400 1.88100 0.35600 1.000 C11 C -1.67600 -1.26300 0.70000 1.000 O12 O -1.51500 -1.56300 1.86400 1.000 N13 N -1.10400 -2.00100 -0.27100 1.000 C14 C -0.28700 -3.16600 0.07900 1.000 C15 C -1.10700 -4.44200 -0.11700 1.000 C16 C -0.25400 -5.65800 0.24800 1.000 C17 C -2.34300 -4.39700 0.78300 1.000 C18 C 0.94900 -3.21100 -0.82200 1.000 N19 N 1.67800 -1.93900 -0.71700 1.000 C20 C 2.42000 -1.86100 0.54700 1.000 C21 C 3.04600 -0.47200 0.68800 1.000 C22 C 1.94200 0.58700 0.69700 1.000 C23 C 3.98700 -0.21900 -0.49400 1.000 C24 C 3.20000 -0.35400 -1.80000 1.000 C25 C 2.56900 -1.74700 -1.86900 1.000 C26 C 5.12200 -1.24400 -0.47100 1.000 C27 C 4.56000 1.17100 -0.39300 1.000 C28 C 5.38700 1.50100 0.66300 1.000 C29 C 5.91500 2.78000 0.75600 1.000 O30 O 6.73000 3.10800 1.79300 1.000 C31 C 5.61100 3.72500 -0.21400 1.000 C32 C 4.78400 3.39000 -1.26800 1.000 C33 C 4.26300 2.11200 -1.36000 1.000 H34 H -3.43800 2.69400 2.00700 1.000 H35 H -2.52600 2.63900 0.48100 1.000 H36 H -3.19400 0.37900 2.23600 1.000 H37 H -2.05000 0.48000 -0.48000 1.000 H38 H -3.85400 -1.04000 -1.03700 1.000 H39 H -4.31000 -1.20900 0.67400 1.000 H40 H -6.26500 -0.44600 -1.33900 1.000 H41 H -7.81400 1.44700 -1.58700 1.000 H42 H -8.08200 3.91600 0.09700 1.000 H43 H -5.14000 3.90900 0.65500 1.000 H44 H -1.23300 -1.76100 -1.20200 1.000 H45 H 0.02500 -3.09100 1.12000 1.000 H46 H -1.41900 -4.51700 -1.15900 1.000 H47 H 0.05800 -5.58300 1.28900 1.000 H48 H -0.83800 -6.56800 0.10800 1.000 H49 H 0.62700 -5.69000 -0.39400 1.000 H50 H -2.03100 -4.32200 1.82500 1.000 H51 H -2.95100 -3.53100 0.52300 1.000 H52 H -2.92800 -5.30700 0.64300 1.000 H53 H 1.59800 -4.02800 -0.50800 1.000 H54 H 0.64000 -3.36800 -1.85600 1.000 H55 H 1.73900 -2.03900 1.38000 1.000 H56 H 3.20600 -2.61600 0.55400 1.000 H57 H 3.60900 -0.41900 1.62000 1.000 H58 H 1.22700 0.36000 1.48800 1.000 H59 H 2.38200 1.56900 0.87600 1.000 H60 H 1.43100 0.58800 -0.26500 1.000 H61 H 2.41500 0.40200 -1.83200 1.000 H62 H 3.87300 -0.21700 -2.64700 1.000 H63 H 3.35500 -2.50300 -1.85000 1.000 H64 H 1.99600 -1.84200 -2.79100 1.000 H65 H 4.70700 -2.24900 -0.54700 1.000 H66 H 5.79100 -1.06400 -1.31300 1.000 H67 H 5.67900 -1.15000 0.46100 1.000 H68 H 5.62200 0.76400 1.41700 1.000 H69 H 7.66800 2.94600 1.62300 1.000 H70 H 6.02100 4.72200 -0.14400 1.000 H71 H 4.54700 4.12500 -2.02200 1.000 H72 H 3.62000 1.85100 -2.18800 1.000