# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'E' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P -0.88800 1.86300 -8.43300 1.000 O1 O -2.11200 2.24400 -7.69300 1.000 O2 O -0.12200 3.19200 -8.92200 1.000 O3 O -1.29100 0.97400 -9.71400 1.000 O4 O 0.07700 1.01000 -7.46900 1.000 C5 C -0.65500 -0.14900 -7.07100 1.000 C6 C 0.21000 -1.00800 -6.14800 1.000 O7 O 0.55700 -0.27100 -4.95300 1.000 C8 C -0.58300 -2.23100 -5.63800 1.000 O9 O -0.26800 -3.39100 -6.41100 1.000 C10 C -0.10900 -2.40900 -4.17800 1.000 C11 C 0.91800 -1.27300 -3.97700 1.000 N12 N 0.81600 -0.72700 -2.62100 1.000 C13 C 0.01900 0.30400 -2.22500 1.000 N14 N 0.17800 0.52600 -0.95200 1.000 C15 C 1.08500 -0.34600 -0.45200 1.000 C16 C 1.63900 -0.57600 0.81700 1.000 N17 N 1.26400 0.19400 1.90300 1.000 N18 N 2.53300 -1.55000 0.95100 1.000 C19 C 2.89800 -2.29100 -0.07900 1.000 N20 N 2.40500 -2.11200 -1.28600 1.000 C21 C 1.50100 -1.16500 -1.51600 1.000 C22 C -4.48300 -1.24300 3.50700 1.000 C23 C -5.42100 -0.94200 4.47500 1.000 C24 C -5.07800 -0.26900 5.63200 1.000 C25 C -3.75500 0.12400 5.84700 1.000 C26 C -3.36200 0.81600 7.01900 1.000 C27 C -2.07600 1.18800 7.20700 1.000 C28 C -1.08500 0.89700 6.23800 1.000 C29 C 0.24600 1.26700 6.40700 1.000 C30 C 1.19900 0.96800 5.43900 1.000 C31 C 2.61300 1.41700 5.71300 1.000 O32 O 2.72000 2.81800 5.45200 1.000 C33 C 3.60000 0.66400 4.82500 1.000 O34 O 3.64600 -0.71000 5.21400 1.000 C35 C 3.12300 0.77400 3.37200 1.000 O36 O 4.13400 0.27600 2.49300 1.000 C37 C 1.85300 -0.05900 3.22000 1.000 C38 C -0.87000 -0.78300 2.90700 1.000 C39 C -3.14900 -0.86600 3.68400 1.000 C40 C -2.78700 -0.17700 4.86300 1.000 C41 C -1.45000 0.20900 5.06000 1.000 C42 C 0.85200 0.29600 4.28900 1.000 C43 C -0.48100 -0.09200 4.08000 1.000 C44 C -2.15700 -1.15600 2.71600 1.000 H45 H -0.73400 3.67300 -9.49600 1.000 H46 H -0.46700 0.74700 -10.16700 1.000 H47 H -0.93000 -0.72700 -7.95400 1.000 H48 H -1.55800 0.15500 -6.54200 1.000 H49 H 1.11100 -1.33300 -6.66800 1.000 H50 H -1.65400 -2.03100 -5.66900 1.000 H51 H -0.76800 -4.12600 -6.02900 1.000 H52 H -0.94400 -2.29400 -3.48800 1.000 H53 H 0.36500 -3.38100 -4.04600 1.000 H54 H 1.92800 -1.63800 -4.16300 1.000 H55 H -0.64600 0.85700 -2.87200 1.000 H56 H 0.61000 0.90200 1.79300 1.000 H57 H 3.62700 -3.07200 0.07400 1.000 H58 H -4.78100 -1.77000 2.61300 1.000 H59 H -6.44800 -1.24100 4.32500 1.000 H60 H -5.83300 -0.04800 6.37200 1.000 H61 H -4.10000 1.04800 7.77200 1.000 H62 H -1.80000 1.71400 8.10900 1.000 H63 H 0.54300 1.79500 7.30100 1.000 H64 H 2.85300 1.22800 6.75900 1.000 H65 H 2.08200 3.25900 6.03000 1.000 H66 H 4.59200 1.10600 4.92100 1.000 H67 H 3.95000 -0.73100 6.13200 1.000 H68 H 2.91000 1.81600 3.13300 1.000 H69 H 4.91500 0.83100 2.62300 1.000 H70 H 2.10600 -1.11600 3.30300 1.000 H71 H -0.13000 -1.01600 2.15500 1.000 H72 H -2.43100 -1.68100 1.81300 1.000