# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CBY' 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 36.99300 -5.68100 -6.68700 1.000 C1 C 36.53800 -4.44600 -6.47200 1.000 O2 O 35.34200 -4.24700 -6.28500 1.000 C3 C 37.51400 -3.26700 -6.43800 1.000 C4 C 37.72000 -2.58600 -7.80900 1.000 C5 C 38.82600 -1.49800 -7.87400 1.000 C6 C 38.88700 -0.82100 -9.24700 1.000 C7 C 40.20100 -2.13700 -7.53500 1.000 C8 C 40.69900 -1.30000 -6.39700 1.000 C9 C 41.14100 -2.45700 -8.70100 1.000 C10 C 40.70700 -3.79700 -9.27200 1.000 N11 N 40.20400 -3.78700 -10.51300 1.000 O12 O 40.80300 -4.81700 -8.60100 1.000 C13 C 38.63500 -0.42300 -6.78400 1.000 N14 N 39.71600 -0.41900 -5.91300 1.000 C15 C 37.52700 0.29600 -6.53700 1.000 C16 C 36.34700 0.19600 -7.47500 1.000 C17 C 37.46200 1.27100 -5.43400 1.000 C18 C 36.17000 1.93800 -4.98700 1.000 C19 C 35.24700 0.94900 -4.24600 1.000 C20 C 33.74700 1.30500 -4.24100 1.000 C21 C 33.28400 1.85300 -5.57700 1.000 N22 N 33.27100 1.01600 -6.59900 1.000 O23 O 32.93200 3.00000 -5.72800 1.000 C24 C 36.68900 3.13900 -4.14700 1.000 C25 C 35.89300 3.54400 -2.90200 1.000 C26 C 36.86300 4.34500 -5.05400 1.000 C27 C 38.08200 2.66500 -3.78800 1.000 N28 N 38.62700 1.81700 -4.78800 1.000 C29 C 38.73700 3.10000 -2.72100 1.000 C30 C 40.08200 2.66500 -2.34000 1.000 C31 C 40.80400 3.22000 -1.15800 1.000 C32 C 40.37400 2.42900 0.09000 1.000 C33 C 38.87300 2.51800 0.36000 1.000 C34 C 38.43800 1.94600 1.68900 1.000 N35 N 37.58900 2.70000 2.36400 1.000 O36 O 38.81700 0.87000 2.10700 1.000 C37 C 42.26700 3.00700 -1.60500 1.000 C38 C 43.19700 2.66000 -0.44300 1.000 C39 C 42.72000 4.22300 -2.40700 1.000 C40 C 42.86000 5.48400 -1.57500 1.000 N41 N 44.06500 5.84600 -1.15900 1.000 O42 O 41.88800 6.13300 -1.32800 1.000 C43 C 42.18200 1.86200 -2.60200 1.000 N44 N 40.81500 1.62600 -2.91200 1.000 C45 C 43.21800 1.10300 -3.05000 1.000 C46 C 44.63100 1.37200 -2.61900 1.000 C47 C 43.00300 -0.00100 -4.00200 1.000 C48 C 44.06000 -0.87900 -4.61200 1.000 C49 C 44.55100 -1.90400 -3.57000 1.000 C50 C 46.06500 -2.11700 -3.62400 1.000 C51 C 46.44700 -3.40500 -2.92600 1.000 N52 N 47.65500 -3.43900 -2.36900 1.000 O53 O 45.68300 -4.34900 -2.88400 1.000 C54 C 43.34100 -1.52700 -5.82800 1.000 C55 C 43.75400 -2.99000 -6.06000 1.000 C56 C 41.84900 -1.47800 -5.42100 1.000 C57 C 41.34600 -2.72000 -4.67200 1.000 N58 N 41.72000 -0.42400 -4.36800 1.000 Co59 Co 40.26400 0.82100 -4.53700 1.000 C60 C 43.68100 -0.66300 -7.05600 1.000 C61 C 45.17500 -0.52900 -7.31900 1.000 O62 O 45.82200 0.43600 -6.94700 1.000 N63 N 45.73500 -1.52600 -7.98700 1.000 C64 C 36.28700 -6.73700 -7.42700 1.000 C65 C 34.80000 -6.34300 -7.36300 1.000 C66 C 34.43300 -7.59300 -8.18300 1.000 O67 O 34.90200 -6.90600 -6.05200 1.000 H68 H 37.89200 -5.90800 -6.31300 1.000 H69 H 37.12600 -2.51700 -5.73300 1.000 H70 H 38.48800 -3.63400 -6.08400 1.000 H71 H 37.97600 -3.36900 -8.53800 1.000 H72 H 36.76800 -2.11500 -8.09600 1.000 H73 H 39.68200 -0.06000 -9.24600 1.000 H74 H 39.10200 -1.57500 -10.01800 1.000 H75 H 37.92100 -0.34100 -9.46200 1.000 H76 H 39.95500 -3.11300 -7.09200 1.000 H77 H 41.21200 -0.55900 -7.02800 1.000 H78 H 41.06500 -1.67600 -9.47200 1.000 H79 H 42.17900 -2.51800 -8.34200 1.000 H80 H 39.88700 -4.63800 -10.93100 1.000 H81 H 40.14600 -2.92800 -11.02200 1.000 H82 H 35.53700 0.84900 -7.11700 1.000 H83 H 36.65300 0.51000 -8.48400 1.000 H84 H 35.99200 -0.84500 -7.50700 1.000 H85 H 35.64000 2.32700 -5.86900 1.000 H86 H 35.35800 -0.03700 -4.72100 1.000 H87 H 35.58400 0.89200 -3.20000 1.000 H88 H 33.16800 0.39800 -4.01000 1.000 H89 H 33.56500 2.06300 -3.46500 1.000 H90 H 32.97000 1.33100 -7.49900 1.000 H91 H 33.56200 0.06800 -6.47200 1.000 H92 H 36.38100 4.40300 -2.41700 1.000 H93 H 34.87000 3.82200 -3.19500 1.000 H94 H 35.85600 2.69800 -2.19900 1.000 H95 H 37.23000 5.19800 -4.46400 1.000 H96 H 37.58900 4.10700 -5.84500 1.000 H97 H 35.89600 4.60400 -5.51000 1.000 H98 H 38.24500 3.82500 -2.08900 1.000 H99 H 40.59300 4.29200 -1.02800 1.000 H100 H 40.64300 1.37200 -0.05400 1.000 H101 H 40.91200 2.82900 0.96200 1.000 H102 H 38.58100 3.57800 0.33100 1.000 H103 H 38.34800 1.97100 -0.43700 1.000 H104 H 37.23800 2.39000 3.24800 1.000 H105 H 37.29700 3.58100 1.99100 1.000 H106 H 44.22100 2.52000 -0.82100 1.000 H107 H 43.18600 3.47800 0.29200 1.000 H108 H 42.85400 1.73200 0.03700 1.000 H109 H 43.69600 3.99600 -2.86100 1.000 H110 H 41.98200 4.41100 -3.20100 1.000 H111 H 44.17900 6.68300 -0.62300 1.000 H112 H 44.86100 5.28300 -1.38100 1.000 H113 H 45.30500 0.64600 -3.09600 1.000 H114 H 44.91800 2.39100 -2.91900 1.000 H115 H 44.70500 1.27700 -1.52600 1.000 H116 H 44.90600 -0.27100 -4.96400 1.000 H117 H 44.28100 -1.54300 -2.56600 1.000 H118 H 44.05300 -2.86600 -3.76000 1.000 H119 H 46.38600 -2.16600 -4.67500 1.000 H120 H 46.56700 -1.27400 -3.12700 1.000 H121 H 47.96400 -4.26300 -1.89400 1.000 H122 H 48.25400 -2.64100 -2.42600 1.000 H123 H 43.21400 -3.39100 -6.93000 1.000 H124 H 44.83700 -3.04000 -6.24600 1.000 H125 H 43.50700 -3.58600 -5.16900 1.000 H126 H 42.07600 -3.00400 -3.90000 1.000 H127 H 40.37900 -2.49500 -4.19700 1.000 H128 H 41.22200 -3.55100 -5.38200 1.000 H129 H 43.21300 -1.11900 -7.94100 1.000 H130 H 43.26500 0.34300 -6.89800 1.000 H131 H 46.71200 -1.50000 -8.19800 1.000 H132 H 45.18100 -2.30500 -8.28000 1.000 H133 H 36.63200 -6.77500 -8.47100 1.000 H134 H 36.44800 -7.71600 -6.95200 1.000 H135 H 34.43400 -5.33500 -7.60800 1.000 H136 H 33.34400 -7.62600 -8.33500 1.000 H137 H 34.93900 -7.55200 -9.15900 1.000 H138 H 34.75400 -8.49500 -7.64100 1.000 H139 H 35.12100 -6.22200 -5.43000 1.000