# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CA3' 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 7.84600 -8.55500 1.83700 1.000 C1 C 8.83900 -7.76400 2.20200 1.000 N2 N 8.93100 -6.51400 1.80000 1.000 C3 C 8.01000 -5.99100 0.99800 1.000 C4 C 6.93200 -6.79200 0.58100 1.000 C5 C 6.87800 -8.12000 1.03700 1.000 N6 N 5.84200 -8.95600 0.66000 1.000 N7 N 6.15200 -6.02600 -0.21800 1.000 C8 C 6.66800 -4.83600 -0.31700 1.000 N9 N 7.81600 -4.76400 0.41600 1.000 C10 C 8.68200 -3.59100 0.55600 1.000 C11 C 9.84500 -3.64600 -0.46800 1.000 O12 O 10.94500 -4.39800 0.04900 1.000 C13 C 10.21800 -2.15100 -0.61500 1.000 O14 O 11.33900 -1.83100 0.21200 1.000 P15 P 12.71500 -1.23100 -0.36900 1.000 O16 O 13.23700 -2.12700 -1.42500 1.000 O17 O 12.44300 0.23000 -0.98900 1.000 O18 O 13.79500 -1.11700 0.82000 1.000 C19 C 8.96200 -1.39900 -0.13500 1.000 O20 O 7.97200 -2.38700 0.19500 1.000 C21 C 8.43900 -0.49200 -1.25200 1.000 O22 O 7.34600 0.28600 -0.76100 1.000 P23 P 6.55200 1.35200 -1.66900 1.000 O24 O 7.51100 2.32200 -2.24400 1.000 O25 O 5.79000 0.58100 -2.85900 1.000 O26 O 5.47700 2.13500 -0.76200 1.000 P27 P 4.61500 3.48000 -0.95900 1.000 O28 O 5.45100 4.51100 -1.61300 1.000 O29 O 3.33300 3.16500 -1.88200 1.000 O30 O 4.12300 4.01800 0.47700 1.000 C31 C 3.10800 5.45900 2.13000 1.000 C32 C 3.42400 5.25300 0.64700 1.000 C33 C 2.23700 4.30500 2.63200 1.000 C34 C 4.41300 5.49800 2.92800 1.000 C35 C 2.35900 6.78000 2.31300 1.000 O36 O 3.22000 7.86800 1.97000 1.000 C37 C 1.14600 6.79800 1.41800 1.000 O38 O 1.09900 7.56200 0.47700 1.000 N39 N 0.11600 5.96600 1.66300 1.000 C40 C -1.02000 5.91400 0.73900 1.000 C41 C -2.04400 4.89600 1.24500 1.000 C42 C -3.21200 4.84300 0.29500 1.000 O43 O -3.22400 5.55000 -0.69100 1.000 N44 N -4.24300 4.01100 0.54000 1.000 C45 C -5.37900 3.95900 -0.38400 1.000 C46 C -6.40300 2.94100 0.12200 1.000 S47 S -7.80900 2.87700 -1.02200 1.000 C48 C -16.52400 -2.27600 -1.55100 1.000 C49 C -17.42600 -3.30500 -0.92200 1.000 C50 C -18.41700 -3.06800 0.13000 1.000 C51 C -19.01100 -4.31600 0.39300 1.000 C52 C -18.82800 -1.93800 0.84000 1.000 C53 C -17.47900 -4.61200 -1.22400 1.000 N54 N -18.41600 -5.23300 -0.44400 1.000 C55 C -20.00500 -4.40700 1.36200 1.000 C56 C -19.80600 -2.05000 1.78700 1.000 C57 C -20.39600 -3.28000 2.05000 1.000 C58 C -8.89500 1.63800 -0.26400 1.000 C59 C -13.22200 -0.78300 -0.71600 1.000 O60 O -12.89500 -1.32500 0.31800 1.000 N61 N -14.39200 -1.10200 -1.30300 1.000 C62 C -15.27000 -2.10200 -0.69100 1.000 C63 C -10.14900 1.46500 -1.12500 1.000 C64 C -11.06600 0.42000 -0.48600 1.000 C65 C -12.31900 0.24700 -1.34600 1.000 H66 H 9.60400 -8.15800 2.85400 1.000 H67 H 5.81600 -9.87100 0.98000 1.000 H68 H 5.14200 -8.62700 0.07500 1.000 H69 H 6.25000 -4.02400 -0.89400 1.000 H70 H 9.07000 -3.52100 1.57200 1.000 H71 H 9.50700 -4.05800 -1.41900 1.000 H72 H 10.73300 -5.32100 0.24200 1.000 H73 H 10.43400 -1.91200 -1.65600 1.000 H74 H 12.09900 0.87000 -0.35200 1.000 H75 H 14.65000 -0.76200 0.54100 1.000 H76 H 9.20000 -0.80400 0.74700 1.000 H77 H 9.23800 0.17100 -1.58400 1.000 H78 H 8.10300 -1.10400 -2.08900 1.000 H79 H 5.14400 -0.07100 -2.55500 1.000 H80 H 2.73900 2.49700 -1.51400 1.000 H81 H 4.04400 6.07500 0.29000 1.000 H82 H 2.49400 5.22500 0.07800 1.000 H83 H 2.81200 3.37900 2.60800 1.000 H84 H 1.91800 4.50900 3.65400 1.000 H85 H 1.36100 4.20600 1.99000 1.000 H86 H 5.00600 6.35600 2.61300 1.000 H87 H 4.18600 5.58400 3.99100 1.000 H88 H 4.97500 4.58100 2.75000 1.000 H89 H 2.04500 6.87900 3.35200 1.000 H90 H 3.53900 7.84400 1.05700 1.000 H91 H 0.12500 5.40100 2.45100 1.000 H92 H -1.48500 6.89800 0.67900 1.000 H93 H -0.67100 5.61700 -0.25000 1.000 H94 H -1.57900 3.91200 1.30500 1.000 H95 H -2.39400 5.19400 2.23400 1.000 H96 H -4.23300 3.44600 1.32800 1.000 H97 H -5.84400 4.94300 -0.44400 1.000 H98 H -5.02900 3.66100 -1.37300 1.000 H99 H -5.93800 1.95700 0.18200 1.000 H100 H -6.75200 3.23900 1.11100 1.000 H101 H -16.23600 -2.60600 -2.55000 1.000 H102 H -17.05100 -1.32400 -1.62100 1.000 H103 H -18.37400 -0.97900 0.64100 1.000 H104 H -16.87000 -5.10100 -1.96900 1.000 H105 H -18.63100 -6.17900 -0.47800 1.000 H106 H -20.47000 -5.35900 1.57400 1.000 H107 H -20.12300 -1.17600 2.33600 1.000 H108 H -21.16800 -3.35200 2.80200 1.000 H109 H -8.36800 0.68700 -0.19500 1.000 H110 H -9.18200 1.96800 0.73400 1.000 H111 H -14.65400 -0.66800 -2.13100 1.000 H112 H -15.55700 -1.77200 0.30700 1.000 H113 H -14.74300 -3.05400 -0.62200 1.000 H114 H -10.67600 2.41700 -1.19400 1.000 H115 H -9.86200 1.13500 -2.12300 1.000 H116 H -10.53800 -0.53200 -0.41600 1.000 H117 H -11.35200 0.75000 0.51300 1.000 H118 H -12.03200 -0.08300 -2.34400 1.000 H119 H -12.84600 1.19800 -1.41500 1.000