# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JSB' 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 0.85300 3.18900 -1.40600 1.000 C1 C -1.75800 -0.95500 -0.63500 1.000 C2 C -3.97200 0.17200 0.57300 1.000 C3 C -2.70200 0.44800 1.00700 1.000 C4 C 3.57600 -0.42900 0.61900 1.000 C5 C 2.70200 -1.51600 -0.01000 1.000 C6 C 2.80300 -2.79600 0.82100 1.000 C7 C 1.24800 -1.04300 -0.04600 1.000 C8 C 0.74300 -0.75800 1.36900 1.000 C9 C -0.30700 0.31100 1.09400 1.000 O10 O -0.58200 1.08400 2.26400 1.000 N11 N 0.37200 1.12700 0.03400 1.000 C12 C 0.23900 2.57500 -0.14700 1.000 C13 C 1.51100 3.42000 -0.04400 1.000 C14 C 1.14500 0.29700 -0.73900 1.000 O15 O 1.65100 0.57400 -1.80600 1.000 C16 C -1.56100 -0.12900 0.40200 1.000 C17 C -0.68300 -1.66300 -1.45600 1.000 N18 N 0.40400 -2.06000 -0.61700 1.000 C19 C -3.05100 -1.25200 -1.08600 1.000 C20 C -4.15800 -0.69500 -0.48900 1.000 H21 H 1.35600 2.51600 -2.10000 1.000 H22 H 0.33100 4.03000 -1.86200 1.000 H23 H -4.82300 0.62800 1.05700 1.000 H24 H -2.56800 1.12700 1.83700 1.000 H25 H 3.23400 -0.23000 1.63500 1.000 H26 H 4.61300 -0.76600 0.64400 1.000 H27 H 3.50500 0.48300 0.02600 1.000 H28 H 3.04500 -1.71400 -1.02600 1.000 H29 H 2.54600 -2.57700 1.85700 1.000 H30 H 2.11200 -3.54100 0.42500 1.000 H31 H 3.82100 -3.18200 0.77200 1.000 H32 H 0.28100 -1.64300 1.80600 1.000 H33 H 1.54600 -0.38300 2.00400 1.000 H34 H -0.93700 0.56800 3.00100 1.000 H35 H -0.68800 3.01200 0.22700 1.000 H36 H 2.44600 2.89900 0.15800 1.000 H37 H 1.42100 4.41300 0.39600 1.000 H38 H -1.11300 -2.54500 -1.92900 1.000 H39 H -0.31200 -0.98500 -2.22500 1.000 H40 H 0.95500 -2.78200 -1.05600 1.000 H41 H -3.18100 -1.93000 -1.91600 1.000 H42 H -5.15100 -0.92900 -0.84200 1.000