# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BJ' 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 -4.91400 -0.09300 0.84500 1.000 C1 C -8.14600 1.39600 -0.13200 1.000 C2 C 2.39500 -0.82200 0.71900 1.000 C3 C 2.05600 -2.23300 1.20600 1.000 O4 O 1.16800 1.70000 -0.11600 1.000 P5 P 1.05400 1.40700 1.33000 1.000 O6 O -0.48100 1.08700 1.69300 1.000 C7 C -1.52400 1.06500 0.71600 1.000 C8 C -2.60200 0.06800 1.14300 1.000 C9 C -2.79000 -0.99700 0.05200 1.000 O10 O -2.22500 -2.24100 0.46800 1.000 C11 C -4.31500 -1.13100 -0.11600 1.000 O12 O -4.74100 -2.44600 0.24600 1.000 N13 N -5.91200 0.71600 0.14100 1.000 C14 C -7.22600 0.65000 0.51700 1.000 C15 C -7.72800 2.23500 -1.19300 1.000 N16 N -6.42300 2.27300 -1.53200 1.000 C17 C -5.52800 1.51800 -0.86900 1.000 O18 O -4.35500 1.56200 -1.18600 1.000 O19 O -8.53900 2.91700 -1.79300 1.000 O20 O -3.85200 0.74300 1.30700 1.000 O21 O 1.96900 0.13300 1.69300 1.000 C22 C 1.43100 -3.03100 0.06100 1.000 O23 O 0.11300 -3.44300 0.43100 1.000 P24 P -1.19400 -3.08300 -0.43800 1.000 O25 O -0.79800 -2.27600 -1.61400 1.000 O26 O -1.90000 -4.44300 -0.93200 1.000 O27 O 3.92500 1.65400 1.05000 1.000 C28 C 4.24500 0.70800 0.02800 1.000 N29 N 5.67400 0.78800 -0.28200 1.000 C30 C 6.07100 1.00100 -1.55000 1.000 N31 N 7.37800 1.07900 -1.86200 1.000 C32 C 8.31500 0.94300 -0.90300 1.000 C33 C 7.91200 0.71900 0.43600 1.000 C34 C 6.59400 0.65000 0.72200 1.000 O35 O 9.49800 1.01300 -1.18500 1.000 O36 O 5.23600 1.12500 -2.42500 1.000 C37 C 3.90600 -0.70200 0.51500 1.000 O38 O 4.33200 -1.65800 -0.45900 1.000 O39 O 1.55100 2.68300 2.17700 1.000 H40 H -5.37900 -0.59800 1.69100 1.000 H41 H -9.18700 1.34900 0.15100 1.000 H42 H 1.88400 -0.63100 -0.22500 1.000 H43 H 2.96700 -2.73000 1.54100 1.000 H44 H 1.35000 -2.17100 2.03400 1.000 H45 H -1.96300 2.05900 0.63100 1.000 H46 H -1.11300 0.76500 -0.24800 1.000 H47 H -2.31600 -0.40900 2.08000 1.000 H48 H -2.33500 -0.66700 -0.88200 1.000 H49 H -4.60400 -0.90800 -1.14300 1.000 H50 H -5.69900 -2.57500 0.20300 1.000 H51 H -7.52600 0.00400 1.32800 1.000 H52 H -6.12900 2.84500 -2.25800 1.000 H53 H 1.38000 -2.40700 -0.83100 1.000 H54 H 2.04200 -3.91000 -0.14500 1.000 H55 H -1.33600 -5.00100 -1.48500 1.000 H56 H 4.40500 1.51500 1.87800 1.000 H57 H 3.66600 0.93200 -0.86800 1.000 H58 H 7.64600 1.23200 -2.78200 1.000 H59 H 8.64800 0.60800 1.21800 1.000 H60 H 6.26700 0.48300 1.73800 1.000 H61 H 4.41700 -0.89300 1.45900 1.000 H62 H 3.91800 -1.54800 -1.32500 1.000 H63 H 1.04300 3.48900 2.00800 1.000