# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0J1' 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 15.00700 -2.98600 -0.73100 1.000 C1 C 13.83700 -2.14800 -0.21200 1.000 C2 C 12.51700 -2.80300 -0.62700 1.000 C3 C 11.34700 -1.96600 -0.10800 1.000 C4 C 10.02800 -2.62100 -0.52200 1.000 C5 C 8.85800 -1.78300 -0.00300 1.000 C6 C 7.53800 -2.43800 -0.41700 1.000 C7 C 6.36800 -1.60000 0.10200 1.000 C8 C 5.06900 -2.24600 -0.30600 1.000 C9 C 2.68900 -2.35800 -0.38500 1.000 C10 C 1.46900 -1.57400 0.10100 1.000 C11 C 0.19500 -2.34900 -0.24000 1.000 C12 C -4.88700 -1.28100 0.70400 1.000 C13 C -5.47500 -1.35100 2.11500 1.000 C14 C -6.99500 -1.49900 2.02800 1.000 C15 C -7.58300 -0.29500 1.29000 1.000 C16 C -6.99600 -0.22500 -0.12200 1.000 C17 C -5.47600 -0.07700 -0.03500 1.000 C18 C 2.07400 0.73100 0.06200 1.000 C19 C 2.08300 2.10500 -0.55700 1.000 C20 C 2.87300 3.06200 0.33800 1.000 C21 C 2.88200 4.45800 -0.29000 1.000 C22 C 3.67200 5.41500 0.60500 1.000 C23 C 3.68100 6.81000 -0.02300 1.000 C24 C 4.47100 7.76700 0.87200 1.000 C25 C 4.48000 9.16200 0.24400 1.000 C26 C 5.27000 10.11900 1.13900 1.000 O27 O 5.07800 -3.27000 -0.94600 1.000 O28 O 3.90100 -1.68200 0.04200 1.000 O29 O -0.93600 -1.67500 0.31500 1.000 O30 O -2.75000 -2.39500 -1.28600 1.000 O31 O -2.59900 -3.62100 0.91500 1.000 O32 O -3.46700 -1.14300 0.78500 1.000 O33 O -4.92500 -2.47600 2.80400 1.000 O34 O -7.54300 -1.56400 3.34600 1.000 O35 O -9.00300 -0.43300 1.20800 1.000 O36 O -7.54500 0.89900 -0.81100 1.000 O37 O -8.96000 2.20900 -2.59800 1.000 O38 O -7.43400 0.20300 -3.34400 1.000 O39 O -9.51700 -0.17000 -1.96800 1.000 O40 O -5.15400 1.12000 0.67500 1.000 O41 O 1.43600 -0.27700 -0.55300 1.000 O42 O 2.64200 0.53700 1.11100 1.000 P43 P -2.44500 -2.21300 0.15100 1.000 P44 P -8.38900 0.76500 -2.17600 1.000 H45 H 15.94700 -2.52000 -0.43600 1.000 H46 H 14.95100 -3.98900 -0.30900 1.000 H47 H 14.95700 -3.04600 -1.81900 1.000 H48 H 13.88700 -2.08800 0.87500 1.000 H49 H 13.89200 -1.14500 -0.63500 1.000 H50 H 12.46700 -2.86400 -1.71400 1.000 H51 H 12.46200 -3.80700 -0.20400 1.000 H52 H 11.39700 -1.90500 0.98000 1.000 H53 H 11.40300 -0.96200 -0.53000 1.000 H54 H 9.97800 -2.68100 -1.60900 1.000 H55 H 9.97200 -3.62400 -0.09900 1.000 H56 H 8.90800 -1.72300 1.08400 1.000 H57 H 8.91300 -0.78000 -0.42500 1.000 H58 H 7.48800 -2.49800 -1.50400 1.000 H59 H 7.48300 -3.44100 0.00600 1.000 H60 H 6.41800 -1.54000 1.18900 1.000 H61 H 6.42400 -0.59700 -0.32000 1.000 H62 H 2.66600 -3.36300 0.03700 1.000 H63 H 2.67200 -2.42000 -1.47300 1.000 H64 H 1.53200 -1.43500 1.18000 1.000 H65 H 0.08600 -2.41100 -1.32300 1.000 H66 H 0.25900 -3.35400 0.17600 1.000 H67 H -5.13300 -2.19500 0.16200 1.000 H68 H -5.22900 -0.43700 2.65600 1.000 H69 H -7.24100 -2.41200 1.48700 1.000 H70 H -7.33700 0.61900 1.83100 1.000 H71 H -7.24200 -1.13900 -0.66300 1.000 H72 H -5.05700 -0.02800 -1.04000 1.000 H73 H 2.55000 2.05800 -1.54000 1.000 H74 H 1.05900 2.46500 -0.65800 1.000 H75 H 2.40600 3.11000 1.32200 1.000 H76 H 3.89700 2.70300 0.43900 1.000 H77 H 3.34900 4.41100 -1.27300 1.000 H78 H 1.85800 4.81700 -0.39100 1.000 H79 H 3.20500 5.46200 1.58900 1.000 H80 H 4.69600 5.05500 0.70600 1.000 H81 H 4.14800 6.76300 -1.00700 1.000 H82 H 2.65700 7.16900 -0.12400 1.000 H83 H 4.00300 7.81400 1.85500 1.000 H84 H 5.49500 7.40800 0.97300 1.000 H85 H 4.94700 9.11500 -0.74000 1.000 H86 H 3.45600 9.52100 0.14300 1.000 H87 H 5.27600 11.11300 0.69100 1.000 H88 H 4.80200 10.16600 2.12200 1.000 H89 H 6.29400 9.76000 1.24000 1.000 H90 H -2.41300 -3.57600 1.86300 1.000 H91 H -5.25400 -2.58200 3.70800 1.000 H92 H -8.50600 -1.65800 3.36700 1.000 H93 H -9.44300 -0.48300 2.06800 1.000 H94 H -9.48000 2.20400 -3.41400 1.000 H95 H -6.67200 0.76700 -3.53400 1.000 H96 H -5.49600 1.92600 0.26300 1.000