# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0B1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 3.85600 2.08300 -2.42200 1.000 C1 C 3.64800 1.34500 -1.47300 1.000 N2 N 3.67500 1.82200 -0.21000 1.000 C3 C 3.95500 3.24000 0.03400 1.000 C4 C 3.44100 0.98300 0.83500 1.000 N5 N 3.46900 1.47500 2.11200 1.000 N6 N 3.18700 -0.29500 0.63800 1.000 C7 C 3.14900 -0.81400 -0.58700 1.000 C8 C 3.37100 -0.01900 -1.67400 1.000 C9 C 2.85600 -2.28000 -0.77500 1.000 C10 C 2.81000 -3.15700 0.47800 1.000 C11 C 1.51500 -2.80400 -0.25600 1.000 C12 C 0.58900 -1.81500 0.40300 1.000 C13 C 1.00300 -1.12600 1.52900 1.000 C14 C 0.15900 -0.21600 2.13800 1.000 C15 C -1.10300 0.00900 1.62600 1.000 C16 C -1.52500 -0.68200 0.49300 1.000 C17 C -0.66800 -1.59300 -0.12100 1.000 C18 C -2.88100 -0.44400 -0.06300 1.000 C19 C -3.30500 -1.14000 -1.19300 1.000 C20 C -4.56600 -0.91700 -1.70800 1.000 C21 C -5.41200 -0.00500 -1.10500 1.000 C22 C -4.99700 0.69300 0.02100 1.000 C23 C -3.73500 0.47000 0.54800 1.000 O24 O -5.83100 1.58900 0.61100 1.000 C25 C -7.12000 1.76300 0.01800 1.000 H26 H 4.11400 3.74700 -0.91800 1.000 H27 H 3.10900 3.69300 0.55000 1.000 H28 H 4.84900 3.33300 0.65000 1.000 H29 H 3.65500 2.41500 2.26600 1.000 H30 H 3.30300 0.88400 2.86300 1.000 H31 H 3.33700 -0.43100 -2.67100 1.000 H32 H 3.25100 -2.72600 -1.68700 1.000 H33 H 3.17500 -4.18100 0.39000 1.000 H34 H 2.99200 -2.67400 1.43800 1.000 H35 H 1.02900 -3.59500 -0.82800 1.000 H36 H 1.98900 -1.29900 1.93400 1.000 H37 H 0.48700 0.31900 3.01700 1.000 H38 H -1.76200 0.72000 2.10300 1.000 H39 H -0.98900 -2.12800 -1.00300 1.000 H40 H -2.64700 -1.85300 -1.66700 1.000 H41 H -4.89300 -1.45700 -2.58400 1.000 H42 H -6.39800 0.16600 -1.51100 1.000 H43 H -3.41300 1.00900 1.42700 1.000 H44 H -7.00300 2.10400 -1.01100 1.000 H45 H -7.65600 0.81400 0.02800 1.000 H46 H -7.68300 2.50400 0.58500 1.000