# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95B' 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 -6.25200 -1.10900 1.54400 1.000 C1 C -5.74000 -1.57300 0.37600 1.000 C2 C -6.25000 -2.73200 -0.20000 1.000 O3 O -7.26400 -3.40400 0.40800 1.000 C4 C -5.72400 -3.20200 -1.39200 1.000 C5 C -4.69100 -2.52300 -2.01600 1.000 C6 C -4.17600 -1.37300 -1.45900 1.000 C7 C -4.70000 -0.88300 -0.25900 1.000 C8 C -4.15100 0.34800 0.34200 1.000 O9 O -4.60900 0.77100 1.38500 1.000 N10 N -3.14200 1.00200 -0.26600 1.000 C11 C -2.59700 2.22400 0.33000 1.000 C12 C -3.42900 3.40600 -0.09700 1.000 O13 O -4.37900 3.24400 -0.82500 1.000 O14 O -3.11400 4.63900 0.33100 1.000 C15 C -1.15400 2.42100 -0.13800 1.000 C16 C -0.28300 1.28400 0.40100 1.000 C17 C 1.16000 1.48000 -0.06700 1.000 C18 C 2.03000 0.34400 0.47300 1.000 N19 N 3.41200 0.53200 0.02400 1.000 C20 C 4.36300 -0.35400 0.38100 1.000 O21 O 4.07400 -1.31000 1.07500 1.000 C22 C 5.75500 -0.16500 -0.07100 1.000 C23 C 6.09100 0.93200 -0.86800 1.000 C24 C 7.39200 1.10600 -1.28800 1.000 C25 C 8.37200 0.19800 -0.92300 1.000 C26 C 8.05500 -0.89400 -0.13300 1.000 O27 O 9.02200 -1.78200 0.22100 1.000 C28 C 6.74600 -1.08000 0.30300 1.000 O29 O 6.43100 -2.14900 1.07800 1.000 H30 H -5.81200 -1.45700 2.33200 1.000 H31 H -8.14600 -3.11700 0.13400 1.000 H32 H -6.12200 -4.10200 -1.83700 1.000 H33 H -4.28700 -2.89700 -2.94600 1.000 H34 H -3.37000 -0.84800 -1.95000 1.000 H35 H -2.77600 0.66400 -1.09900 1.000 H36 H -2.61800 2.13900 1.41700 1.000 H37 H -3.67700 5.36500 0.03100 1.000 H38 H -1.12200 2.41700 -1.22800 1.000 H39 H -0.77800 3.37400 0.23300 1.000 H40 H -0.31500 1.28800 1.49100 1.000 H41 H -0.65900 0.33100 0.03000 1.000 H42 H 1.19200 1.47700 -1.15600 1.000 H43 H 1.53600 2.43400 0.30500 1.000 H44 H 1.99800 0.34700 1.56200 1.000 H45 H 1.65400 -0.60900 0.10100 1.000 H46 H 3.64300 1.29400 -0.52900 1.000 H47 H 5.33100 1.64400 -1.15600 1.000 H48 H 7.64900 1.95500 -1.90400 1.000 H49 H 9.38900 0.34200 -1.25700 1.000 H50 H 9.47200 -1.56300 1.04900 1.000 H51 H 6.51400 -1.98500 2.02700 1.000