# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CHL' 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 6.58000 0.30200 0.01600 1.000 C1 C 4.02300 -1.57400 0.56800 1.000 C2 C 4.70800 2.81900 0.09400 1.000 C3 C 9.14400 2.13200 -0.41400 1.000 C4 C 8.53100 -2.23100 0.07600 1.000 N5 N 4.75600 0.46800 -0.50500 1.000 C6 C 3.82400 -0.47000 -0.26300 1.000 C7 C 2.55200 0.00900 -0.91900 1.000 C8 C 2.88900 1.49100 -1.25900 1.000 C9 C 4.18900 1.68400 -0.50700 1.000 C10 C 3.09200 1.67700 -2.76400 1.000 C11 C 1.37400 -0.07200 0.05500 1.000 C12 C 0.08300 0.30100 -0.67600 1.000 C13 C -1.07700 0.22100 0.28300 1.000 O14 O -0.89000 -0.10000 1.43300 1.000 O15 O -2.31900 0.50800 -0.14000 1.000 N16 N 6.94500 2.07100 0.58800 1.000 C17 C 5.96500 3.04400 0.67100 1.000 C18 C 6.61600 4.08100 1.32100 1.000 C19 C 8.00900 3.87200 1.22100 1.000 C20 C 8.18500 2.66700 0.42900 1.000 C21 C 5.94900 5.23900 2.01600 1.000 C22 C 9.07200 4.70800 1.80500 1.000 C23 C 9.06000 6.02400 1.61800 1.000 N24 N 8.17800 -0.03100 -0.95300 1.000 C25 C 9.10600 0.90600 -1.12500 1.000 C26 C 10.03700 0.25700 -2.05700 1.000 C27 C 9.81600 -1.12700 -1.86400 1.000 C28 C 8.80500 -1.22500 -0.89100 1.000 C29 C 10.97800 0.89600 -2.97700 1.000 O30 O 11.05000 2.10700 -3.02700 1.000 C31 C 10.52200 -2.26300 -2.55800 1.000 C32 C 11.68800 -2.74500 -1.69200 1.000 N33 N 6.50900 -1.34100 0.96200 1.000 C34 C 7.44300 -2.34900 0.93500 1.000 C35 C 6.83300 -3.34100 1.70400 1.000 C36 C 5.44400 -3.12700 1.73500 1.000 C37 C 5.28400 -1.89800 1.11400 1.000 C38 C 7.55400 -4.46900 2.39500 1.000 C39 C 4.06400 -3.54900 1.98600 1.000 O40 O 3.71000 -4.45000 2.71700 1.000 C41 C 3.15200 -2.64300 1.15400 1.000 C42 C 2.50100 -3.43900 0.05200 1.000 O43 O 2.72300 -3.16500 -1.10300 1.000 O44 O 1.67500 -4.45200 0.35500 1.000 C45 C 1.08300 -5.17500 -0.75700 1.000 C46 C -3.38700 0.41000 0.83800 1.000 C47 C -4.69900 0.76500 0.18700 1.000 C48 C -5.54100 1.55900 0.80000 1.000 C49 C -5.25800 2.01500 2.20800 1.000 C50 C -6.79300 2.01700 0.09700 1.000 C51 C -7.95500 1.09500 0.47200 1.000 C52 C -9.22600 1.55900 -0.24100 1.000 C53 C -10.38800 0.63700 0.13400 1.000 C54 C -10.11500 -0.77000 -0.40000 1.000 C55 C -11.68300 1.17300 -0.47900 1.000 C56 C -12.86300 0.32300 -0.00200 1.000 C57 C -14.15800 0.85900 -0.61500 1.000 C58 C -15.33800 0.00900 -0.13800 1.000 C59 C -15.19300 -1.41400 -0.68000 1.000 C60 C -16.64500 0.61900 -0.65000 1.000 C61 C -17.83000 -0.15700 -0.07100 1.000 C62 C -19.13700 0.45200 -0.58200 1.000 C63 C -20.32200 -0.32400 -0.00400 1.000 C64 C -21.62800 0.36000 -0.41400 1.000 C65 C -20.30500 -1.75600 -0.54200 1.000 H66 H 4.03700 3.66500 0.12300 1.000 H67 H 10.03600 2.72600 -0.54700 1.000 H68 H 9.27200 -3.01300 0.15400 1.000 H69 H 2.18100 1.39600 -3.29100 1.000 H70 H 3.32700 2.72100 -2.97300 1.000 H71 H 3.91500 1.04600 -3.10000 1.000 H72 H 1.29300 -1.08700 0.44300 1.000 H73 H 1.53800 0.62100 0.88000 1.000 H74 H 0.16400 1.31600 -1.06400 1.000 H75 H -0.08100 -0.39200 -1.50100 1.000 H76 H 5.76900 4.98100 3.06000 1.000 H77 H 6.59500 6.11500 1.96500 1.000 H78 H 5.00000 5.45800 1.52800 1.000 H79 H 9.86100 4.25300 2.38500 1.000 H80 H 8.27100 6.48000 1.03800 1.000 H81 H 9.84000 6.63800 2.04500 1.000 H82 H 11.60800 0.29100 -3.61100 1.000 H83 H 9.82100 -3.08400 -2.71400 1.000 H84 H 10.90100 -1.92100 -3.52100 1.000 H85 H 11.30800 -3.08600 -0.72900 1.000 H86 H 12.19800 -3.56700 -2.19400 1.000 H87 H 12.38800 -1.92400 -1.53600 1.000 H88 H 7.83700 -4.15800 3.40100 1.000 H89 H 6.89800 -5.33800 2.45500 1.000 H90 H 8.45000 -4.72900 1.83000 1.000 H91 H 2.39000 -2.19500 1.79200 1.000 H92 H 0.49400 -4.48800 -1.36500 1.000 H93 H 1.87300 -5.61300 -1.36700 1.000 H94 H 0.43800 -5.96600 -0.37500 1.000 H95 H -3.43700 -0.60900 1.22300 1.000 H96 H -3.19200 1.09900 1.66000 1.000 H97 H -4.94400 0.36500 -0.78600 1.000 H98 H -4.61100 2.89200 2.18300 1.000 H99 H -6.19600 2.26900 2.70300 1.000 H100 H -4.76300 1.21400 2.75700 1.000 H101 H -7.02700 3.03800 0.40000 1.000 H102 H -6.63700 1.98400 -0.98100 1.000 H103 H -7.72100 0.07400 0.17000 1.000 H104 H -8.11100 1.12700 1.55100 1.000 H105 H -9.46000 2.58000 0.06100 1.000 H106 H -9.07000 1.52700 -1.31900 1.000 H107 H -10.48700 0.60100 1.21900 1.000 H108 H -10.94300 -1.42700 -0.13300 1.000 H109 H -10.01600 -0.73400 -1.48500 1.000 H110 H -9.19200 -1.15200 0.03600 1.000 H111 H -11.83100 2.20700 -0.16800 1.000 H112 H -11.61700 1.12600 -1.56600 1.000 H113 H -12.71500 -0.71100 -0.31300 1.000 H114 H -12.92900 0.37000 1.08500 1.000 H115 H -14.30600 1.89300 -0.30400 1.000 H116 H -14.09200 0.81200 -1.70200 1.000 H117 H -15.35000 -0.01600 0.95100 1.000 H118 H -14.26100 -1.84800 -0.31600 1.000 H119 H -16.03300 -2.01900 -0.34000 1.000 H120 H -15.18000 -1.38900 -1.77000 1.000 H121 H -16.70600 1.66100 -0.33800 1.000 H122 H -17.76800 -1.20000 -0.38300 1.000 H123 H -19.19800 1.49500 -0.27000 1.000 H124 H -19.16200 0.39600 -1.67100 1.000 H125 H -20.24700 -0.34300 1.08300 1.000 H126 H -21.70200 0.37900 -1.50100 1.000 H127 H -22.47200 -0.19300 -0.00200 1.000 H128 H -21.64000 1.38000 -0.03000 1.000 H129 H -19.37500 -2.24300 -0.25000 1.000 H130 H -21.14900 -2.30900 -0.13000 1.000 H131 H -20.37900 -1.73600 -1.62900 1.000 H132 H 2.34600 -0.55900 -1.82600 1.000 H133 H 2.11800 2.16400 -0.88400 1.000 H134 H -16.67000 0.56300 -1.73800 1.000 H135 H -17.80400 -0.10100 1.01700 1.000