# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9B0' 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 -1.69900 -3.19900 -1.04300 1.000 C1 C -2.93400 -3.52800 -1.73900 1.000 C2 C -4.17800 -3.35300 -0.84300 1.000 C3 C -4.30100 -4.56100 0.04600 1.000 C4 C -3.63500 -4.35200 1.41900 1.000 C5 C -2.28000 -3.62600 1.32300 1.000 C6 C -1.44500 -4.11600 0.17100 1.000 N7 N -0.02300 -4.06900 0.53600 1.000 C8 C 0.41300 -2.68600 0.77300 1.000 C9 C 1.84300 -2.69300 1.32500 1.000 C10 C 0.80500 -4.72100 -0.48600 1.000 C11 C 2.25100 -4.81200 0.01400 1.000 N12 N 2.69400 -3.46600 0.40700 1.000 C13 C 3.85000 -2.95400 -0.06000 1.000 O14 O 4.48300 -3.55600 -0.90500 1.000 O15 O 4.30200 -1.77500 0.40700 1.000 C16 C 5.50300 -1.23800 -0.20800 1.000 C17 C 5.12000 -0.33700 -1.35400 1.000 C18 C 3.86900 0.01100 -1.52400 1.000 C19 C 3.48600 0.91300 -2.66900 1.000 C20 C 4.70900 1.16200 -3.55300 1.000 C21 C 6.29300 -0.43700 0.82800 1.000 C22 C 7.44100 0.30000 0.13600 1.000 O23 O 6.82300 -1.32500 1.81400 1.000 C24 C 5.36700 0.57900 1.50100 1.000 C25 C 6.01400 1.96400 1.45900 1.000 C26 C 5.01200 3.01000 1.95200 1.000 O27 O 5.58800 3.75300 3.02800 1.000 C28 C 4.66300 3.96200 0.80500 1.000 C29 C 3.64500 3.31200 -0.09500 1.000 O30 O 2.50000 3.19500 0.27400 1.000 O31 O 4.00800 2.86300 -1.30700 1.000 C32 C 2.97500 2.24600 -2.11900 1.000 C33 C 1.75000 2.00500 -1.27400 1.000 C34 C 1.83300 1.11000 -0.06500 1.000 C35 C 0.59700 2.58100 -1.59600 1.000 C36 C -0.57800 2.41200 -0.72700 1.000 C37 C -1.74800 2.93200 -1.08300 1.000 C38 C -2.91300 2.88900 -0.12800 1.000 C39 C -3.41900 4.31100 0.12400 1.000 O40 O -2.49500 2.30600 1.10800 1.000 C41 C -4.03800 2.04700 -0.73400 1.000 C42 C -5.05400 1.69500 0.35400 1.000 O43 O -5.82600 2.75900 0.91400 1.000 C44 C -6.53700 1.88600 0.03300 1.000 C45 C -7.53300 0.90400 0.65400 1.000 C46 C -7.23100 -0.51100 0.15700 1.000 C47 C -8.95600 1.29400 0.24600 1.000 O48 O -9.10500 1.14200 -1.16700 1.000 C49 C -9.95800 0.39000 0.96500 1.000 C50 C -11.38200 0.85900 0.65500 1.000 H51 H -0.86600 -3.29600 -1.73900 1.000 H52 H -1.75300 -2.16600 -0.69900 1.000 H53 H -3.03300 -2.88100 -2.61000 1.000 H54 H -2.88500 -4.56400 -2.07400 1.000 H55 H -4.06500 -2.45800 -0.23100 1.000 H56 H -5.06800 -3.26100 -1.46600 1.000 H57 H -5.35700 -4.78300 0.19600 1.000 H58 H -3.82900 -5.41100 -0.44700 1.000 H59 H -4.30500 -3.76600 2.04900 1.000 H60 H -3.48000 -5.32500 1.88700 1.000 H61 H -2.46000 -2.55800 1.19900 1.000 H62 H -1.72900 -3.78400 2.25000 1.000 H63 H -1.72800 -5.13900 -0.07800 1.000 H64 H 0.38800 -2.13100 -0.16400 1.000 H65 H -0.25300 -2.21300 1.49500 1.000 H66 H 2.21400 -1.67000 1.39500 1.000 H67 H 1.85200 -3.15400 2.31300 1.000 H68 H 0.42400 -5.72400 -0.67800 1.000 H69 H 0.77500 -4.13800 -1.40600 1.000 H70 H 2.30000 -5.47900 0.87400 1.000 H71 H 2.89100 -5.19000 -0.78300 1.000 H72 H 6.11800 -2.05800 -0.58000 1.000 H73 H 5.87800 0.02100 -2.03600 1.000 H74 H 3.11200 -0.34800 -0.84300 1.000 H75 H 2.70200 0.43900 -3.25900 1.000 H76 H 5.49400 1.63600 -2.96300 1.000 H77 H 5.07400 0.21200 -3.94500 1.000 H78 H 4.43200 1.81400 -4.38100 1.000 H79 H 7.03700 0.97800 -0.61600 1.000 H80 H 8.00400 0.87100 0.87400 1.000 H81 H 8.10000 -0.42300 -0.34400 1.000 H82 H 7.33700 -0.88500 2.50500 1.000 H83 H 4.41400 0.60700 0.97400 1.000 H84 H 5.20100 0.28700 2.53800 1.000 H85 H 6.89400 1.97400 2.10200 1.000 H86 H 6.30900 2.19700 0.43600 1.000 H87 H 4.10700 2.51100 2.29700 1.000 H88 H 5.00700 4.43500 3.39100 1.000 H89 H 4.25200 4.88600 1.21200 1.000 H90 H 5.56400 4.18600 0.23300 1.000 H91 H 2.72000 2.90700 -2.94700 1.000 H92 H 1.45700 0.11900 -0.32000 1.000 H93 H 2.87100 1.03200 0.25900 1.000 H94 H 1.23100 1.53000 0.74000 1.000 H95 H 0.52200 3.17300 -2.49600 1.000 H96 H -0.48900 1.86600 0.20000 1.000 H97 H -1.86400 3.38500 -2.05600 1.000 H98 H -3.73800 4.75500 -0.81900 1.000 H99 H -4.26100 4.28000 0.81400 1.000 H100 H -2.61700 4.91000 0.55500 1.000 H101 H -2.16100 1.40200 1.02300 1.000 H102 H -4.53200 2.61500 -1.52200 1.000 H103 H -3.62100 1.13100 -1.15300 1.000 H104 H -4.77800 0.86800 1.00900 1.000 H105 H -6.79900 2.26400 -0.95500 1.000 H106 H -7.44500 0.93500 1.74000 1.000 H107 H -7.35300 -0.55000 -0.92500 1.000 H108 H -6.20600 -0.77600 0.41700 1.000 H109 H -7.91800 -1.21500 0.62600 1.000 H110 H -9.14000 2.33200 0.52100 1.000 H111 H -8.95400 0.24100 -1.48400 1.000 H112 H -9.83200 -0.63700 0.62300 1.000 H113 H -9.78600 0.43800 2.04000 1.000 H114 H -12.09600 0.21500 1.16800 1.000 H115 H -11.50800 1.88600 0.99800 1.000 H116 H -11.55400 0.81000 -0.42000 1.000