# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '003' 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 0.07100 -2.14000 -2.37500 1.000 O1 O 0.09000 -1.32400 -3.30400 1.000 N2 N 0.37400 -1.77300 -1.04100 1.000 C3 C 0.72400 -0.39300 -0.72000 1.000 C4 C 2.23500 -0.14900 -0.82600 1.000 C5 C 2.77400 -0.44800 -2.22600 1.000 C6 C 2.62000 1.26500 -0.39100 1.000 C7 C 0.33700 -2.73700 -0.03200 1.000 N8 N 0.59500 -2.55100 1.26800 1.000 N9 N 0.42200 -3.77600 1.79900 1.000 C10 C 0.62200 -3.95400 3.22000 1.000 C11 C 1.87500 -3.26600 3.68900 1.000 C12 C 1.86500 -1.93700 4.13100 1.000 C13 C 0.68400 -1.17700 4.15900 1.000 C14 C 0.69900 0.14500 4.60400 1.000 C15 C 1.89100 0.72500 5.02500 1.000 C16 C 3.07400 -0.01500 5.00300 1.000 C17 C 3.07800 -1.34700 4.55900 1.000 C18 C 4.25900 -2.10600 4.53000 1.000 C19 C 4.24400 -3.42900 4.08600 1.000 C20 C 3.05100 -4.00900 3.66500 1.000 C21 C 0.06500 -4.72800 0.89000 1.000 C22 C -0.17100 -6.11000 1.23700 1.000 C23 C 0.87600 -7.02300 1.21000 1.000 C24 C 0.59700 -8.33700 1.55100 1.000 N25 N -0.62800 -8.78300 1.90800 1.000 C26 C -1.62000 -7.86500 1.92200 1.000 C27 C -1.44600 -6.52900 1.59800 1.000 C28 C 0.00400 -4.07100 -0.31200 1.000 C29 C -0.32000 -4.55500 -1.62100 1.000 O30 O -0.60600 -5.72800 -1.83800 1.000 N31 N -0.26200 -3.52400 -2.59100 1.000 C32 C -0.57200 -3.88700 -3.97100 1.000 H33 H 0.36700 -0.17100 0.29100 1.000 H34 H 0.18800 0.26500 -1.41300 1.000 H35 H 2.72100 -0.84900 -0.13400 1.000 H36 H 2.39200 0.25800 -2.97000 1.000 H37 H 3.86800 -0.38100 -2.23700 1.000 H38 H 2.50000 -1.46000 -2.54100 1.000 H39 H 2.21200 2.02300 -1.06800 1.000 H40 H 3.70900 1.38100 -0.37900 1.000 H41 H 2.25100 1.47600 0.61800 1.000 H42 H 0.65900 -5.03000 3.42800 1.000 H43 H -0.26200 -3.56700 3.74100 1.000 H44 H 3.05300 -5.04000 3.32100 1.000 H45 H -0.26800 -1.59500 3.83800 1.000 H46 H -0.22100 0.72200 4.62200 1.000 H47 H 1.90200 1.75500 5.37200 1.000 H48 H 3.99500 0.45900 5.33800 1.000 H49 H 5.20300 -1.67300 4.85500 1.000 H50 H 5.16400 -4.00600 4.06900 1.000 H51 H 1.88400 -6.73200 0.93500 1.000 H52 H -2.28800 -5.84500 1.62800 1.000 H53 H 1.37900 -9.09000 1.54700 1.000 H54 H -2.59600 -8.24300 2.21000 1.000 H55 H 0.34800 -3.96300 -4.55500 1.000 H56 H -1.21700 -3.13000 -4.42500 1.000 H57 H -1.08900 -4.85000 -4.00100 1.000