# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0Q4' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -9.35500 2.54800 -2.94100 1.000 C1 C -8.64100 2.19000 -1.70800 1.000 C2 C -7.36300 1.47300 -2.05800 1.000 O3 O -7.23400 0.96000 -3.14900 1.000 C4 C -9.52300 1.27500 -0.85600 1.000 C5 C -10.76300 2.04400 -0.39600 1.000 C6 C -11.64400 1.12800 0.45600 1.000 N7 N -12.83200 1.86400 0.89500 1.000 C8 C -13.77100 1.24600 1.67500 1.000 N9 N -13.60500 -0.02600 2.03400 1.000 N10 N -14.85000 1.91500 2.07400 1.000 N11 N -6.36200 1.40300 -1.15800 1.000 C12 C -5.11900 0.70600 -1.49800 1.000 C13 C -4.44700 0.23100 -0.23500 1.000 O14 O -4.69300 0.77200 0.82200 1.000 C15 C -4.18500 1.66300 -2.24300 1.000 C16 C -3.77600 2.80500 -1.31100 1.000 C17 C -2.93700 0.90500 -2.69900 1.000 N18 N -3.57400 -0.79400 -0.28100 1.000 C19 C -3.00800 -1.33100 0.95900 1.000 C20 C -1.65300 -1.97700 0.66400 1.000 C21 C -3.95700 -2.38000 1.54100 1.000 C22 C -3.44400 -2.82900 2.91100 1.000 C23 C -3.51300 -1.65600 3.89100 1.000 C24 C -4.31000 -3.97900 3.42800 1.000 N25 N -0.78100 -1.00200 -0.00500 1.000 C26 C 0.57000 -1.54700 -0.19300 1.000 C27 C 1.59000 -0.48500 0.12700 1.000 O28 O 1.22700 0.61800 0.47800 1.000 C29 C 0.74100 -1.99600 -1.64600 1.000 C30 C -0.20700 -3.13100 -1.93600 1.000 C31 C -1.44100 -2.87400 -2.50500 1.000 C32 C 0.15800 -4.43100 -1.63700 1.000 C33 C -2.31000 -3.91500 -2.77000 1.000 C34 C -0.71100 -5.47200 -1.90300 1.000 C35 C -1.94700 -5.21400 -2.46700 1.000 N36 N 2.90500 -0.76000 0.02300 1.000 C37 C 3.89600 0.27300 0.33500 1.000 C38 C 5.17700 -0.02100 -0.40300 1.000 O39 O 5.25400 -0.99700 -1.11900 1.000 C40 C 4.16700 0.28300 1.84100 1.000 C41 C 2.89700 0.70300 2.58400 1.000 C42 C 3.16300 0.71300 4.06700 1.000 O43 O 4.25600 0.41400 4.48700 1.000 O44 O 2.18600 1.05300 4.92200 1.000 N45 N 6.23600 0.80100 -0.26800 1.000 C46 C 7.48100 0.51600 -0.98600 1.000 C47 C 8.63900 1.14300 -0.25300 1.000 O48 O 8.44300 1.76800 0.76800 1.000 C49 C 7.39900 1.09400 -2.40000 1.000 N50 N 9.89100 1.01100 -0.73300 1.000 C51 C 11.01700 1.62100 -0.02000 1.000 C52 C 11.16100 3.05900 -0.44700 1.000 O53 O 10.39800 3.52800 -1.26500 1.000 C54 C 12.30200 0.86000 -0.35100 1.000 C55 C 12.20500 -0.56700 0.19300 1.000 C56 C 13.49000 -1.32800 -0.13700 1.000 C57 C 13.39300 -2.75400 0.40700 1.000 N58 N 12.13700 3.82400 0.08200 1.000 H59 H -8.82100 3.20400 -3.49100 1.000 H60 H -9.58200 1.72500 -3.47900 1.000 H61 H -8.40800 3.09500 -1.14700 1.000 H62 H -9.82800 0.41200 -1.44700 1.000 H63 H -8.96100 0.93800 0.01500 1.000 H64 H -10.45700 2.90700 0.19500 1.000 H65 H -11.32500 2.38100 -1.26800 1.000 H66 H -11.95000 0.26500 -0.13600 1.000 H67 H -11.08300 0.79100 1.32700 1.000 H68 H -12.95300 2.79000 0.63400 1.000 H69 H -12.81800 -0.51400 1.74200 1.000 H70 H -14.27000 -0.46500 2.58600 1.000 H71 H -14.97100 2.84100 1.81300 1.000 H72 H -15.51600 1.47600 2.62700 1.000 H73 H -6.46400 1.81400 -0.28500 1.000 H74 H -5.34400 -0.15000 -2.13400 1.000 H75 H -4.70100 2.07000 -3.11300 1.000 H76 H -3.26000 2.39800 -0.44200 1.000 H77 H -3.11100 3.48600 -1.84200 1.000 H78 H -4.66600 3.34500 -0.98600 1.000 H79 H -3.23400 0.03100 -3.28000 1.000 H80 H -2.32000 1.55800 -3.31600 1.000 H81 H -2.36700 0.58500 -1.82700 1.000 H82 H -3.32000 -1.17700 -1.13500 1.000 H83 H -2.87600 -0.52200 1.67800 1.000 H84 H -1.19200 -2.29700 1.59800 1.000 H85 H -1.79700 -2.84100 0.01500 1.000 H86 H -4.95300 -1.94800 1.65000 1.000 H87 H -4.00500 -3.23800 0.87100 1.000 H88 H -2.41100 -3.16400 2.81900 1.000 H89 H -4.55300 -1.36100 4.03100 1.000 H90 H -3.09000 -1.95800 4.84900 1.000 H91 H -2.94700 -0.81500 3.49200 1.000 H92 H -4.26000 -4.81400 2.73000 1.000 H93 H -3.94400 -4.29900 4.40400 1.000 H94 H -5.34300 -3.64300 3.52000 1.000 H95 H -0.75200 -0.13300 0.50600 1.000 H96 H 0.71400 -2.40000 0.47000 1.000 H97 H 0.52300 -1.16200 -2.31200 1.000 H98 H 1.76600 -2.33000 -1.80500 1.000 H99 H -1.72500 -1.85900 -2.74100 1.000 H100 H 1.12400 -4.63300 -1.19700 1.000 H101 H -3.27400 -3.71400 -3.21400 1.000 H102 H -0.42600 -6.48700 -1.67000 1.000 H103 H -2.62600 -6.02700 -2.67400 1.000 H104 H 3.19500 -1.64200 -0.25700 1.000 H105 H 3.51500 1.24700 0.02800 1.000 H106 H 4.46300 -0.71500 2.16300 1.000 H107 H 4.96700 0.98900 2.06100 1.000 H108 H 2.60100 1.70100 2.26100 1.000 H109 H 2.09600 -0.00300 2.36300 1.000 H110 H 2.40400 1.04500 5.86400 1.000 H111 H 6.17500 1.58200 0.30400 1.000 H112 H 7.62900 -0.56300 -1.04300 1.000 H113 H 7.25100 2.17200 -2.34300 1.000 H114 H 8.32500 0.88100 -2.93400 1.000 H115 H 6.56200 0.64000 -2.93000 1.000 H116 H 10.04800 0.51100 -1.54900 1.000 H117 H 10.83400 1.57700 1.05300 1.000 H118 H 12.43800 0.82800 -1.43200 1.000 H119 H 13.15200 1.36600 0.10800 1.000 H120 H 12.06900 -0.53500 1.27400 1.000 H121 H 11.35500 -1.07300 -0.26500 1.000 H122 H 13.62600 -1.35900 -1.21800 1.000 H123 H 14.34000 -0.82100 0.32100 1.000 H124 H 13.25700 -2.72300 1.48800 1.000 H125 H 12.54300 -3.26000 -0.05100 1.000 H126 H 14.30900 -3.29600 0.17100 1.000 H127 H 12.74600 3.44900 0.73600 1.000 H128 H 12.22900 4.75000 -0.19300 1.000