# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9B1' 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 5.58900 0.94100 -0.34900 1.000 C1 C 3.28000 0.91700 -1.53500 1.000 C2 C 4.36000 0.35400 -0.62700 1.000 C3 C 4.17700 -0.84900 0.01600 1.000 C4 C 6.36000 0.23600 0.49600 1.000 C5 C 7.67700 0.96100 0.74500 1.000 C6 C 2.94900 -1.63900 -0.16300 1.000 C7 C 2.49500 -0.24600 -2.13900 1.000 C8 C 6.31300 2.22300 -0.76100 1.000 C9 C 8.67800 3.01800 -0.33800 1.000 C10 C 7.42200 2.41200 0.29200 1.000 S11 S 5.58100 -1.21200 0.98700 1.000 O12 O 2.70200 -2.60400 0.53600 1.000 N13 N 2.10900 -1.23800 -1.14400 1.000 C14 C 0.82700 -1.79400 -1.20500 1.000 C15 C 0.60300 -2.94700 -1.94800 1.000 C16 C -0.66200 -3.49900 -2.01000 1.000 C17 C -1.71100 -2.90900 -1.33500 1.000 C18 C -1.49700 -1.75200 -0.58600 1.000 C19 C -0.22100 -1.19800 -0.51900 1.000 C20 C 0.01800 0.05200 0.28800 1.000 O21 O 0.36200 -0.30500 1.62900 1.000 C22 C -2.62300 -1.11600 0.14000 1.000 C23 C -3.21000 0.06700 -0.35900 1.000 C24 C -4.24600 0.63600 0.32600 1.000 C25 C -4.70600 0.02700 1.51600 1.000 O26 O -5.63100 0.52600 2.13600 1.000 N27 N -4.12600 -1.10100 1.96700 1.000 C28 C -3.09900 -1.67600 1.28900 1.000 C29 C -4.61300 -1.72000 3.20200 1.000 N30 N -4.84600 1.81000 -0.14500 1.000 C31 C -6.19500 1.82000 -0.46200 1.000 C32 C -6.93800 0.63700 -0.43800 1.000 C33 C -8.28000 0.69900 -0.76200 1.000 N34 N -8.81400 1.86900 -1.08100 1.000 C35 C -8.08600 2.96800 -1.09500 1.000 N36 N -6.80500 2.95600 -0.78900 1.000 C37 C 6.92900 3.27100 1.45900 1.000 H38 H 2.60700 1.54900 -0.95500 1.000 H39 H 3.73900 1.50400 -2.33000 1.000 H40 H 7.93100 0.93300 1.80400 1.000 H41 H 8.47400 0.51300 0.15200 1.000 H42 H 1.59600 0.14500 -2.61500 1.000 H43 H 3.11100 -0.73100 -2.89700 1.000 H44 H 6.74900 2.11000 -1.75300 1.000 H45 H 5.62600 3.06900 -0.74300 1.000 H46 H 8.98500 2.41200 -1.19100 1.000 H47 H 8.46400 4.03300 -0.67200 1.000 H48 H 9.48000 3.04000 0.39900 1.000 H49 H 1.42100 -3.41200 -2.47900 1.000 H50 H -0.83100 -4.39400 -2.59000 1.000 H51 H -2.69900 -3.34300 -1.38600 1.000 H52 H 0.83400 0.62100 -0.15700 1.000 H53 H -0.88700 0.65900 0.29500 1.000 H54 H 0.53000 0.45200 2.20600 1.000 H55 H -2.84400 0.51700 -1.27000 1.000 H56 H -2.65200 -2.58400 1.66600 1.000 H57 H -5.43700 -1.12900 3.60400 1.000 H58 H -4.96100 -2.73100 2.98900 1.000 H59 H -3.80500 -1.76000 3.93100 1.000 H60 H -4.31800 2.61700 -0.25000 1.000 H61 H -6.47500 -0.30200 -0.17400 1.000 H62 H -8.88500 -0.19500 -0.75400 1.000 H63 H -8.55400 3.90400 -1.36000 1.000 H64 H 7.69200 3.29900 2.23700 1.000 H65 H 6.73200 4.28400 1.10600 1.000 H66 H 6.01200 2.84200 1.86300 1.000