# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0BW' 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 -1.69300 -2.69500 -1.30400 1.000 C1 C -1.10800 -4.10900 -1.31400 1.000 N2 N -1.70800 -4.89300 -0.22600 1.000 C3 C -1.22700 -6.28100 -0.24900 1.000 C4 C -1.44500 -4.26600 1.07800 1.000 C5 C -2.03100 -2.85200 1.08800 1.000 N6 N -1.43100 -2.06800 -0.00000 1.000 C7 C -1.88600 -0.75300 0.02200 1.000 C8 C -3.23300 -0.48200 -0.19100 1.000 C9 C -3.68900 0.81700 -0.17000 1.000 C10 C -2.79700 1.86800 0.06500 1.000 C11 C -3.28400 3.25900 0.08700 1.000 O12 O -2.50800 4.17200 0.29200 1.000 O13 O -4.59000 3.51900 -0.11900 1.000 C14 C -5.00000 4.91100 -0.08300 1.000 C15 C -1.44200 1.59800 0.28000 1.000 C16 C -0.99000 0.29200 0.26400 1.000 N17 N 0.36600 0.01600 0.47900 1.000 C18 C 1.30700 0.87000 0.02700 1.000 O19 O 0.97700 1.91800 -0.49300 1.000 C20 C 2.74000 0.53200 0.16600 1.000 C21 C 3.71500 1.41600 -0.29500 1.000 C22 C 3.12100 -0.67000 0.76400 1.000 C23 C 4.45900 -0.98300 0.89200 1.000 C24 C 5.42400 -0.10800 0.42900 1.000 C25 C 5.05500 1.09300 -0.16200 1.000 O26 O 6.00900 1.95100 -0.61000 1.000 C27 C 7.37100 1.55300 -0.44000 1.000 H28 H -1.22800 -2.10300 -2.09200 1.000 H29 H -2.76900 -2.74500 -1.47300 1.000 H30 H -1.32700 -4.58600 -2.26900 1.000 H31 H -0.02800 -4.05700 -1.17200 1.000 H32 H -0.14300 -6.29200 -0.13200 1.000 H33 H -1.68700 -6.83900 0.56700 1.000 H34 H -1.49400 -6.74200 -1.20000 1.000 H35 H -1.91000 -4.85800 1.86600 1.000 H36 H -0.37000 -4.21600 1.24700 1.000 H37 H -3.11000 -2.90500 0.94600 1.000 H38 H -1.81200 -2.37500 2.04400 1.000 H39 H -3.92400 -1.29200 -0.37300 1.000 H40 H -4.73600 1.02500 -0.33600 1.000 H41 H -4.76800 5.33300 0.89500 1.000 H42 H -4.46500 5.46700 -0.85400 1.000 H43 H -6.07200 4.98000 -0.26400 1.000 H44 H -0.75100 2.40700 0.46200 1.000 H45 H 0.62900 -0.78800 0.95200 1.000 H46 H 3.42700 2.35000 -0.75500 1.000 H47 H 2.36900 -1.35600 1.12700 1.000 H48 H 4.75300 -1.91300 1.35500 1.000 H49 H 6.47000 -0.35800 0.53200 1.000 H50 H 7.54500 0.61800 -0.97200 1.000 H51 H 8.02700 2.32600 -0.83900 1.000 H52 H 7.57900 1.41300 0.62100 1.000