# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'BCB' 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 6.60400 0.22000 -0.07000 1.000 C1 C 4.04300 -1.61200 0.60700 1.000 C2 C 4.73000 2.74200 -0.18100 1.000 C3 C 9.11400 2.03300 -0.71200 1.000 C4 C 8.51200 -2.32600 0.07900 1.000 N5 N 4.77900 0.35200 -0.60400 1.000 C6 C 3.84700 -0.56500 -0.29900 1.000 C7 C 2.57500 -0.13400 -0.98800 1.000 C8 C 2.91300 1.32000 -1.43200 1.000 C9 C 4.21300 1.56500 -0.69600 1.000 C10 C 3.11700 1.39800 -2.94700 1.000 C11 C 1.39600 -0.14500 -0.01200 1.000 C12 C 0.10500 0.17400 -0.76800 1.000 C13 C -1.05500 0.16300 0.19300 1.000 O14 O -0.86900 -0.07500 1.36300 1.000 O15 O -2.29600 0.41900 -0.25000 1.000 N16 N 6.96400 2.02300 0.37700 1.000 C17 C 5.98000 3.00100 0.39800 1.000 C18 C 6.64300 4.05600 0.98900 1.000 C19 C 8.04000 3.81600 0.87200 1.000 C20 C 8.18600 2.61800 0.15400 1.000 C21 C 6.00100 5.25300 1.64200 1.000 C22 C 9.11800 4.65600 1.39800 1.000 O23 O 9.52200 5.60100 0.75200 1.000 C24 C 9.72600 4.34800 2.74200 1.000 N25 N 8.19200 -0.17000 -1.04900 1.000 C26 C 9.07600 0.78100 -1.31800 1.000 C27 C 9.98800 0.11600 -2.32300 1.000 C28 C 9.90100 -1.35800 -1.90000 1.000 C29 C 8.80000 -1.36400 -0.90900 1.000 C30 C 9.46400 0.30800 -3.74800 1.000 C31 C 10.63500 -2.38200 -2.32200 1.000 C32 C 11.71700 -2.16000 -3.34700 1.000 N33 N 6.53300 -1.36100 0.96900 1.000 C34 C 7.44800 -2.38200 0.98300 1.000 C35 C 6.85000 -3.31300 1.82800 1.000 C36 C 5.46200 -3.09000 1.86500 1.000 C37 C 5.30400 -1.90400 1.16600 1.000 C38 C 7.57800 -4.39300 2.58600 1.000 C39 C 4.08100 -3.48300 2.15900 1.000 O40 O 3.72700 -4.32500 2.95700 1.000 C41 C 3.16800 -2.63100 1.27100 1.000 C42 C 2.50500 -3.49800 0.23200 1.000 O43 O 2.72100 -3.30700 -0.94100 1.000 O44 O 1.67300 -4.48200 0.61000 1.000 C45 C 1.07000 -5.27600 -0.44500 1.000 C46 C -3.36600 0.39200 0.73200 1.000 C47 C -4.67700 0.69900 0.05600 1.000 C48 C -5.52000 1.53500 0.61000 1.000 C49 C -5.23800 2.09000 1.98300 1.000 C50 C -6.77100 1.94100 -0.12400 1.000 C51 C -7.93300 1.04800 0.31500 1.000 C52 C -9.20400 1.46100 -0.43100 1.000 C53 C -10.36600 0.56700 0.00900 1.000 C54 C -10.09200 -0.87400 -0.42400 1.000 C55 C -11.66100 1.05900 -0.64200 1.000 C56 C -12.84100 0.24500 -0.10700 1.000 C57 C -14.13500 0.73600 -0.75700 1.000 C58 C -15.31500 -0.07800 -0.22200 1.000 C59 C -15.17000 -1.53600 -0.66100 1.000 C60 C -16.62200 0.49400 -0.77600 1.000 C61 C -17.80800 -0.23900 -0.14500 1.000 C62 C -19.11400 0.33200 -0.69900 1.000 C63 C -20.30000 -0.40100 -0.06800 1.000 C64 C -20.33600 -0.11200 1.43500 1.000 C65 C -21.60000 0.08300 -0.71200 1.000 H66 H 4.06700 3.59300 -0.23400 1.000 H67 H 9.98000 2.63600 -0.94200 1.000 H68 H 9.21700 -3.14200 0.14700 1.000 H69 H 2.36900 -0.76600 -1.85300 1.000 H70 H 2.14100 2.01800 -1.10700 1.000 H71 H 2.20500 1.08200 -3.45300 1.000 H72 H 3.35100 2.42500 -3.22900 1.000 H73 H 3.93900 0.74500 -3.23700 1.000 H74 H 1.31400 -1.13000 0.44700 1.000 H75 H 1.55900 0.60500 0.76200 1.000 H76 H 0.18700 1.15900 -1.22800 1.000 H77 H -0.05800 -0.57500 -1.54200 1.000 H78 H 5.75700 5.01400 2.67700 1.000 H79 H 6.69300 6.09500 1.61700 1.000 H80 H 5.09000 5.51500 1.10500 1.000 H81 H 10.62000 3.73800 2.60500 1.000 H82 H 9.99500 5.27900 3.24200 1.000 H83 H 9.00500 3.80300 3.35100 1.000 H84 H 9.41000 1.37300 -3.97500 1.000 H85 H 10.13800 -0.17900 -4.45200 1.000 H86 H 8.47000 -0.13200 -3.83200 1.000 H87 H 10.45800 -3.37200 -1.92900 1.000 H88 H 11.00800 0.48900 -2.23100 1.000 H89 H 12.20800 -3.10800 -3.56700 1.000 H90 H 11.27600 -1.75900 -4.26000 1.000 H91 H 12.45000 -1.45400 -2.95600 1.000 H92 H 7.87800 -4.01300 3.56200 1.000 H93 H 6.91900 -5.25200 2.71700 1.000 H94 H 8.46300 -4.69600 2.02700 1.000 H95 H 2.41300 -2.13500 1.88100 1.000 H96 H 0.42200 -6.03400 -0.00400 1.000 H97 H 0.48200 -4.62900 -1.09600 1.000 H98 H 1.85300 -5.76200 -1.02700 1.000 H99 H -3.41500 -0.59700 1.18800 1.000 H100 H -3.17100 1.13700 1.50300 1.000 H101 H -4.92200 0.23100 -0.88600 1.000 H102 H -4.59100 2.96300 1.89600 1.000 H103 H -6.17500 2.37800 2.45800 1.000 H104 H -4.74300 1.33000 2.58700 1.000 H105 H -7.00500 2.98100 0.10500 1.000 H106 H -6.61400 1.83200 -1.19700 1.000 H107 H -7.69900 0.00800 0.08600 1.000 H108 H -8.09000 1.15800 1.38800 1.000 H109 H -9.43800 2.50000 -0.20200 1.000 H110 H -9.04700 1.35100 -1.50400 1.000 H111 H -10.46600 0.60900 1.09300 1.000 H112 H -10.92000 -1.51100 -0.11100 1.000 H113 H -9.99300 -0.91500 -1.50900 1.000 H114 H -9.17000 -1.22400 0.03900 1.000 H115 H -11.80900 2.11200 -0.40600 1.000 H116 H -11.59400 0.93400 -1.72300 1.000 H117 H -12.69200 -0.80900 -0.34300 1.000 H118 H -12.90700 0.36900 0.97400 1.000 H119 H -14.28400 1.79000 -0.52100 1.000 H120 H -14.06900 0.61200 -1.83800 1.000 H121 H -15.32900 -0.02500 0.86700 1.000 H122 H -16.01100 -2.11600 -0.27900 1.000 H123 H -15.15600 -1.58900 -1.74900 1.000 H124 H -14.23900 -1.94300 -0.26600 1.000 H125 H -16.68400 1.55600 -0.53900 1.000 H126 H -16.64700 0.36100 -1.85800 1.000 H127 H -17.74600 -1.30100 -0.38200 1.000 H128 H -17.78300 -0.10600 0.93700 1.000 H129 H -19.17600 1.39400 -0.46200 1.000 H130 H -19.13900 0.19900 -1.78000 1.000 H131 H -20.19100 -1.47300 -0.22900 1.000 H132 H -20.44500 0.96100 1.59600 1.000 H133 H -21.18100 -0.63400 1.88400 1.000 H134 H -19.41000 -0.45600 1.89400 1.000 H135 H -21.57400 -0.12300 -1.78200 1.000 H136 H -22.44500 -0.43900 -0.26200 1.000 H137 H -21.70800 1.15600 -0.55100 1.000