# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CA8' 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 -8.10300 -7.44600 1.02600 1.000 C1 C -8.36000 -6.88300 -0.14100 1.000 N2 N -8.21000 -5.59200 -0.35000 1.000 C3 C -7.78700 -4.79200 0.62300 1.000 C4 C -7.50100 -5.34300 1.88400 1.000 C5 C -7.67600 -6.72700 2.05800 1.000 N6 N -7.41000 -7.32600 3.27700 1.000 N7 N -7.09400 -4.32600 2.68100 1.000 C8 C -7.11200 -3.21300 2.00700 1.000 N9 N -7.53200 -3.44800 0.73100 1.000 C10 C -7.68400 -2.44900 -0.32900 1.000 C11 C -9.13400 -1.90100 -0.36000 1.000 O12 O -9.97700 -2.73400 -1.15900 1.000 C13 C -8.94200 -0.51400 -1.01900 1.000 O14 O -9.24000 -0.57800 -2.41500 1.000 C15 C -7.45100 -0.19400 -0.79900 1.000 O16 O -6.88500 -1.28100 -0.04600 1.000 C17 C -7.31000 1.11500 -0.01900 1.000 O18 O -5.92700 1.46400 0.07900 1.000 P19 P -10.37500 0.32600 -3.11300 1.000 O20 O -10.34600 0.08900 -4.70500 1.000 O21 O -11.81900 -0.08700 -2.53500 1.000 O22 O -10.11600 1.75400 -2.82200 1.000 P23 P -5.40800 2.78600 0.83600 1.000 O24 O -3.79900 2.79300 0.86400 1.000 P25 P -2.69800 3.54800 1.76400 1.000 O26 O -1.28600 3.55600 0.99100 1.000 C27 C -0.13300 4.24300 1.48200 1.000 C28 C 1.03100 4.04600 0.50900 1.000 C29 C 2.26500 4.78100 1.03600 1.000 C30 C 3.44900 4.46800 0.15700 1.000 N31 N 4.43500 3.67100 0.61400 1.000 C32 C 5.52900 3.27600 -0.27700 1.000 C33 C 6.50600 2.37700 0.48300 1.000 C34 C 7.63200 1.97000 -0.43300 1.000 N35 N 8.61800 1.17300 0.02300 1.000 C36 C 9.71200 0.77800 -0.86700 1.000 C37 C 10.68900 -0.12100 -0.10700 1.000 O38 O -2.53600 2.78100 3.17000 1.000 O39 O -5.93700 4.09300 0.05800 1.000 O40 O -3.13400 4.94100 2.00900 1.000 O41 O -5.92500 2.79600 2.22300 1.000 C42 C 1.34200 2.55300 0.38200 1.000 C43 C 0.65000 4.60600 -0.86200 1.000 O44 O 3.51500 4.93400 -0.96100 1.000 O45 O 7.65000 2.36100 -1.58100 1.000 C46 C 11.83100 -0.53400 -1.03700 1.000 C47 C 12.80900 -1.43200 -0.27700 1.000 S48 S 14.16300 -1.92200 -1.38000 1.000 C49 C 15.19700 -2.94100 -0.38100 1.000 O50 O 2.53900 4.35600 2.37200 1.000 O51 O 13.68900 -2.79400 -2.39600 1.000 O52 O 14.97700 -0.80100 -1.69800 1.000 C53 C 14.97900 -4.30500 -0.32700 1.000 C54 C 15.79000 -5.10400 0.45600 1.000 C55 C 16.82000 -4.53900 1.18600 1.000 C56 C 17.03800 -3.17500 1.13300 1.000 C57 C 16.23000 -2.37600 0.34400 1.000 H58 H -8.70500 -7.50400 -0.95300 1.000 H59 H -7.09800 -6.79000 4.02300 1.000 H60 H -7.53400 -8.28100 3.38500 1.000 H61 H -6.83500 -2.24600 2.39900 1.000 H62 H -7.41400 -2.87400 -1.29600 1.000 H63 H -9.53300 -1.80100 0.65000 1.000 H64 H -10.05500 -3.64100 -0.83400 1.000 H65 H -9.57100 0.23100 -0.53000 1.000 H66 H -6.94500 -0.10900 -1.76000 1.000 H67 H -7.84800 1.90800 -0.53900 1.000 H68 H -7.72400 0.98900 0.98100 1.000 H69 H -11.00500 0.60300 -5.19100 1.000 H70 H -12.05600 -1.01100 -2.69000 1.000 H71 H -0.35500 5.30600 1.57300 1.000 H72 H 0.13800 3.84300 2.46000 1.000 H73 H 2.08000 5.85500 1.02700 1.000 H74 H 4.42000 3.35900 1.53200 1.000 H75 H 5.12400 2.73200 -1.13100 1.000 H76 H 6.05100 4.16600 -0.62800 1.000 H77 H 6.91100 2.92100 1.33700 1.000 H78 H 5.98400 1.48700 0.83400 1.000 H79 H 8.60300 0.86000 0.94200 1.000 H80 H 9.30700 0.23400 -1.72100 1.000 H81 H 10.23400 1.66800 -1.21800 1.000 H82 H 11.09400 0.42300 0.74700 1.000 H83 H 10.16700 -1.01100 0.24400 1.000 H84 H -2.25200 1.86000 3.08500 1.000 H85 H -5.63600 4.15300 -0.85900 1.000 H86 H 0.46300 2.02900 0.00700 1.000 H87 H 2.17200 2.41300 -0.31100 1.000 H88 H 1.61400 2.15400 1.35900 1.000 H89 H 0.50400 5.68400 -0.78700 1.000 H90 H 1.44800 4.39700 -1.57500 1.000 H91 H -0.27300 4.13700 -1.20200 1.000 H92 H 11.42700 -1.07800 -1.89100 1.000 H93 H 12.35400 0.35600 -1.38800 1.000 H94 H 13.21400 -0.88800 0.57700 1.000 H95 H 12.28600 -2.32200 0.07400 1.000 H96 H 2.71400 3.40900 2.45600 1.000 H97 H 14.17500 -4.74600 -0.89700 1.000 H98 H 15.62000 -6.16900 0.49900 1.000 H99 H 17.45300 -5.16300 1.79900 1.000 H100 H 17.84200 -2.73400 1.70300 1.000 H101 H 16.40300 -1.31100 0.29900 1.000