# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CLA' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg0 Mg 6.55100 -0.44400 -0.02000 1.000 C1 C 4.54200 2.04300 -0.37900 1.000 C2 C 5.59900 -0.75100 2.95400 1.000 C3 C 8.63300 -2.81900 0.32400 1.000 C4 C 7.65400 -0.07500 -3.00400 1.000 N5 N 4.84900 -0.07900 0.74500 1.000 C6 C 4.09300 0.98100 0.41000 1.000 C7 C 2.79600 0.84300 1.17000 1.000 C8 C 3.12800 -0.28200 2.19600 1.000 C9 C 4.62700 -0.41100 2.02700 1.000 C10 C 2.77100 0.15100 3.61900 1.000 C11 C 1.66300 0.41100 0.23800 1.000 C12 C 0.34200 0.40100 1.01100 1.000 C13 C -0.77400 -0.02400 0.09300 1.000 O14 O -0.53800 -0.29200 -1.06200 1.000 O15 O -2.03100 -0.10500 0.55700 1.000 N16 N 7.50500 -1.03900 1.50600 1.000 C17 C 6.96600 -1.00400 2.77900 1.000 C18 C 8.06200 -1.32800 3.56100 1.000 C19 C 9.03900 -1.92600 2.73400 1.000 C20 C 8.49200 -2.00800 1.43900 1.000 C21 C 8.19100 -1.08300 5.04200 1.000 C22 C 10.37800 -2.37800 3.14900 1.000 C23 C 11.17000 -1.56400 3.84000 1.000 N24 N 7.17300 -1.72800 -1.27100 1.000 C25 C 7.94500 -2.76300 -0.91300 1.000 C26 C 7.96400 -3.53600 -2.09200 1.000 C27 C 7.66900 -2.67100 -3.12800 1.000 C28 C 7.47300 -1.40000 -2.54100 1.000 C29 C 8.24900 -5.01200 -2.20100 1.000 C30 C 7.57600 -3.01400 -4.59300 1.000 C31 C 6.11800 -3.29800 -4.95800 1.000 N32 N 6.76000 1.08700 -1.12100 1.000 C33 C 7.29000 1.12300 -2.38800 1.000 C34 C 7.08800 2.45300 -2.75700 1.000 C35 C 6.06100 3.01000 -1.97400 1.000 C36 C 5.79200 2.03000 -1.03200 1.000 C37 C 7.85300 3.18100 -3.83100 1.000 C38 C 5.05600 4.03300 -1.67600 1.000 O39 O 5.05000 5.17600 -2.08500 1.000 C40 C 4.01500 3.39400 -0.75300 1.000 C41 C 3.83600 4.23800 0.48300 1.000 O42 O 4.10900 3.78400 1.56900 1.000 O43 O 3.37100 5.49300 0.37800 1.000 C44 C 3.22300 6.24700 1.61000 1.000 C45 C -3.05600 -0.52200 -0.38400 1.000 C46 C -4.39200 -0.55500 0.31200 1.000 C47 C -5.20100 -1.56900 0.12900 1.000 C48 C -4.85300 -2.63900 -0.87300 1.000 C49 C -6.48000 -1.66500 0.92000 1.000 C50 C -7.63000 -1.07100 0.10500 1.000 C51 C -8.92900 -1.16900 0.90900 1.000 C52 C -10.07900 -0.57500 0.09400 1.000 C53 C -9.84000 0.92300 -0.10800 1.000 C54 C -11.39600 -0.78500 0.84400 1.000 C55 C -12.56000 -0.30300 -0.02600 1.000 C56 C -13.87700 -0.51300 0.72400 1.000 C57 C -15.04100 -0.03200 -0.14600 1.000 C58 C -14.93000 1.48000 -0.35400 1.000 C59 C -16.36500 -0.35500 0.55000 1.000 C60 C -17.52800 0.01200 -0.37300 1.000 C61 C -18.85200 -0.31100 0.32200 1.000 C62 C -20.01600 0.05700 -0.60100 1.000 C63 C -19.98300 -0.83600 -1.84300 1.000 C64 C -21.33900 -0.14900 0.14000 1.000 H65 H 5.24800 -0.83300 3.97100 1.000 H66 H 9.37200 -3.60200 0.40900 1.000 H67 H 8.14000 0.02200 -3.96400 1.000 H68 H 2.54600 1.77200 1.68200 1.000 H69 H 2.62400 -1.21200 1.93400 1.000 H70 H 1.70500 0.37100 3.67600 1.000 H71 H 3.01300 -0.65300 4.31500 1.000 H72 H 3.34100 1.04200 3.88200 1.000 H73 H 1.59100 1.11000 -0.59500 1.000 H74 H 1.86700 -0.58900 -0.14400 1.000 H75 H 0.41400 -0.29800 1.84400 1.000 H76 H 0.13800 1.40100 1.39300 1.000 H77 H 7.81400 -1.94900 5.58700 1.000 H78 H 9.23900 -0.92300 5.29400 1.000 H79 H 7.61200 -0.20100 5.31600 1.000 H80 H 10.71700 -3.37100 2.89200 1.000 H81 H 12.15200 -1.89600 4.14400 1.000 H82 H 10.83200 -0.57100 4.09700 1.000 H83 H 7.31700 -5.57000 -2.11100 1.000 H84 H 8.70800 -5.22400 -3.16700 1.000 H85 H 8.93000 -5.31000 -1.40300 1.000 H86 H 7.94300 -2.17600 -5.18600 1.000 H87 H 8.18200 -3.89700 -4.79800 1.000 H88 H 6.05100 -3.54600 -6.01800 1.000 H89 H 5.75200 -4.13600 -4.36500 1.000 H90 H 5.51300 -2.41500 -4.75300 1.000 H91 H 7.34400 3.05800 -4.78700 1.000 H92 H 7.90800 4.24100 -3.58300 1.000 H93 H 8.86100 2.77200 -3.90100 1.000 H94 H 3.06500 3.29200 -1.27600 1.000 H95 H 2.52600 5.73100 2.27000 1.000 H96 H 4.19300 6.33300 2.10100 1.000 H97 H 2.84100 7.24200 1.38300 1.000 H98 H -3.09500 0.18400 -1.21400 1.000 H99 H -2.81900 -1.51600 -0.76300 1.000 H100 H -4.68400 0.25800 0.96100 1.000 H101 H -4.20100 -3.37700 -0.40500 1.000 H102 H -5.76500 -3.12600 -1.21700 1.000 H103 H -4.34000 -2.18800 -1.72300 1.000 H104 H -6.69300 -2.71100 1.14000 1.000 H105 H -6.37200 -1.11200 1.85400 1.000 H106 H -7.41700 -0.02500 -0.11500 1.000 H107 H -7.73800 -1.62400 -0.82800 1.000 H108 H -9.14200 -2.21500 1.12900 1.000 H109 H -8.82100 -0.61600 1.84200 1.000 H110 H -10.13000 -1.06900 -0.87600 1.000 H111 H -8.90200 1.07200 -0.64200 1.000 H112 H -10.66000 1.34600 -0.68900 1.000 H113 H -9.78900 1.41700 0.86200 1.000 H114 H -11.52300 -1.84400 1.06600 1.000 H115 H -11.37900 -0.21800 1.77400 1.000 H116 H -12.43300 0.75600 -0.24800 1.000 H117 H -12.57700 -0.87100 -0.95600 1.000 H118 H -14.00400 -1.57300 0.94600 1.000 H119 H -13.86000 0.05400 1.65400 1.000 H120 H -15.00500 -0.53500 -1.11200 1.000 H121 H -14.96500 1.98400 0.61200 1.000 H122 H -13.98700 1.71000 -0.85000 1.000 H123 H -15.75900 1.82300 -0.97400 1.000 H124 H -16.40400 -1.42000 0.77800 1.000 H125 H -16.43900 0.21800 1.47400 1.000 H126 H -17.48800 1.07700 -0.60200 1.000 H127 H -17.45400 -0.56100 -1.29800 1.000 H128 H -18.89200 -1.37600 0.55100 1.000 H129 H -18.92700 0.26200 1.24600 1.000 H130 H -19.92600 1.10100 -0.90000 1.000 H131 H -20.07300 -1.88000 -1.54300 1.000 H132 H -20.81200 -0.57400 -2.50100 1.000 H133 H -19.04100 -0.68900 -2.37100 1.000 H134 H -21.36200 0.48600 1.02500 1.000 H135 H -22.16800 0.11200 -0.51700 1.000 H136 H -21.42900 -1.19300 0.44000 1.000