# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BT' 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 -7.78200 2.66000 -0.35400 1.000 C1 C -8.15200 1.20300 -0.46800 1.000 N2 N -9.36400 0.79600 -0.77400 1.000 C3 C -9.56100 -0.47800 -0.84200 1.000 S4 S -8.11500 -1.32300 -0.49900 1.000 C5 C -7.26500 0.20400 -0.27100 1.000 C6 C -5.83700 0.36300 0.07700 1.000 C7 C -5.28200 -0.38300 1.11800 1.000 C8 C -3.94800 -0.23000 1.43700 1.000 C9 C -5.03600 1.25400 -0.63900 1.000 C10 C -3.70400 1.39700 -0.31000 1.000 C11 C -3.16100 0.66000 0.72800 1.000 C12 C -1.70600 0.82100 1.08200 1.000 N13 N -0.90500 -0.12800 0.30500 1.000 C14 C 0.43300 -0.16500 0.45700 1.000 O15 O 0.97500 0.58900 1.23800 1.000 C16 C 1.25600 -1.14200 -0.34300 1.000 C17 C 0.85000 -2.58700 0.01500 1.000 C18 C 2.20600 -3.34100 0.00900 1.000 O19 O 2.57700 -3.71700 -1.31900 1.000 C20 C 3.16500 -2.26000 0.56800 1.000 N21 N 2.67900 -0.99200 -0.00400 1.000 C22 C 3.41700 0.12100 -0.18600 1.000 O23 O 2.89200 1.13700 -0.59100 1.000 C24 C 4.89400 0.10400 0.11200 1.000 C25 C 5.13400 0.62700 1.52900 1.000 C26 C 4.71900 2.09800 1.60700 1.000 C27 C 4.30600 -0.19000 2.52200 1.000 C28 C 6.61900 0.49800 1.87600 1.000 N29 N 5.59700 0.95700 -0.85000 1.000 C30 C 6.89600 0.73200 -1.12600 1.000 O31 O 7.48400 -0.17600 -0.57800 1.000 C32 C 7.61900 1.61000 -2.11500 1.000 O33 O 8.97500 1.17500 -2.23600 1.000 H34 H -7.36400 3.00400 -1.30100 1.000 H35 H -8.67200 3.24300 -0.11700 1.000 H36 H -7.04300 2.78600 0.43600 1.000 H37 H -10.50500 -0.94400 -1.08200 1.000 H38 H -5.89500 -1.07700 1.67300 1.000 H39 H -3.51800 -0.80600 2.24300 1.000 H40 H -5.45800 1.83100 -1.44900 1.000 H41 H -3.08300 2.08700 -0.86300 1.000 H42 H -1.38700 1.83800 0.85300 1.000 H43 H -1.56700 0.62800 2.14600 1.000 H44 H -1.33900 -0.73100 -0.32000 1.000 H45 H 1.10800 -0.96600 -1.40800 1.000 H46 H 0.39200 -2.62500 1.00400 1.000 H47 H 0.17700 -2.99600 -0.73800 1.000 H48 H 2.17200 -4.21100 0.66400 1.000 H49 H 3.41800 -4.19100 -1.37300 1.000 H50 H 3.11100 -2.23100 1.65700 1.000 H51 H 4.18800 -2.45700 0.24500 1.000 H52 H 5.26800 -0.91700 0.03300 1.000 H53 H 3.66100 2.19000 1.36000 1.000 H54 H 4.89000 2.47100 2.61700 1.000 H55 H 5.30900 2.68000 0.90000 1.000 H56 H 4.65400 -1.22300 2.52300 1.000 H57 H 4.41600 0.23100 3.52200 1.000 H58 H 3.25600 -0.16100 2.23000 1.000 H59 H 7.20900 1.08000 1.16800 1.000 H60 H 6.79000 0.87100 2.88600 1.000 H61 H 6.91500 -0.55000 1.82100 1.000 H62 H 5.12600 1.68400 -1.28700 1.000 H63 H 7.12800 1.54400 -3.08600 1.000 H64 H 7.59900 2.64200 -1.76700 1.000 H65 H 9.50100 1.69600 -2.85800 1.000