# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CAA' 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 5.00800 1.10600 -11.41500 1.000 C1 C 4.07200 2.03000 -11.30100 1.000 N2 N 3.10000 1.94600 -10.41700 1.000 C3 C 3.02000 0.90500 -9.59500 1.000 C4 C 3.99700 -0.10200 -9.67200 1.000 C5 C 5.01400 0.03200 -10.63200 1.000 N6 N 6.00000 -0.93000 -10.75900 1.000 N7 N 3.69000 -1.02800 -8.73300 1.000 C8 C 2.61600 -0.66000 -8.09600 1.000 N9 N 2.16700 0.52800 -8.58800 1.000 C10 C 0.98600 1.26500 -8.13100 1.000 C11 C -0.28900 0.75600 -8.84700 1.000 O12 O -0.47500 1.42500 -10.09600 1.000 C13 C -1.40400 1.14400 -7.84100 1.000 O14 O -2.02300 2.37200 -8.22900 1.000 P15 P -3.58900 2.06000 -8.43100 1.000 O16 O -4.16100 1.56300 -7.16000 1.000 O17 O -4.35200 3.40800 -8.87200 1.000 O18 O -3.77100 0.94200 -9.57500 1.000 C19 C -0.65800 1.30800 -6.50200 1.000 O20 O 0.72400 0.99100 -6.73900 1.000 C21 C -1.24000 0.34900 -5.46200 1.000 O22 O -0.53800 0.50300 -4.22700 1.000 P23 P -1.19900 -0.52900 -3.18400 1.000 O24 O -2.63400 -0.20900 -3.01500 1.000 O25 O -1.04700 -2.03100 -3.74500 1.000 O26 O -0.45200 -0.40900 -1.76200 1.000 P27 P -1.16000 -1.46400 -0.77400 1.000 O28 O -2.59600 -1.12900 -0.64200 1.000 O29 O -1.00900 -2.94900 -1.37500 1.000 O30 O -0.45900 -1.39700 0.67300 1.000 C31 C -0.50700 -2.33700 2.89900 1.000 C32 C -1.12800 -2.35000 1.50100 1.000 C33 C -0.65200 -0.94200 3.50900 1.000 C34 C 0.97600 -2.69900 2.80100 1.000 C35 C -1.22400 -3.35800 3.78500 1.000 O36 O -1.18800 -4.64200 3.15800 1.000 C37 C -0.53400 -3.43300 5.12300 1.000 O38 O 0.15800 -4.39000 5.39500 1.000 N39 N -0.68800 -2.43700 6.01700 1.000 C40 C -0.00200 -2.50000 7.31000 1.000 C41 C -0.34400 -1.25400 8.13100 1.000 C42 C 0.36100 -1.32000 9.46100 1.000 O43 O 1.06700 -2.26900 9.72600 1.000 N44 N 0.20700 -0.32300 10.35500 1.000 C45 C 0.89300 -0.38700 11.64800 1.000 C46 C 0.55100 0.85800 12.46800 1.000 S47 S 1.39800 0.77900 14.06600 1.000 C48 C 0.86000 2.24800 14.76000 1.000 O49 O 0.11100 2.97400 14.14000 1.000 C50 C 1.31500 2.64000 16.14200 1.000 C51 C 0.70300 3.96500 16.51700 1.000 O52 O -0.02700 4.53300 15.74100 1.000 C53 C 1.00300 4.58100 17.85900 1.000 H54 H 4.10500 2.88700 -11.95700 1.000 H55 H 6.69700 -0.82600 -11.42500 1.000 H56 H 5.99300 -1.71000 -10.18200 1.000 H57 H 2.15000 -1.21400 -7.29500 1.000 H58 H 1.11700 2.33500 -8.29400 1.000 H59 H -0.25100 -0.32400 -8.98900 1.000 H60 H 0.29400 1.21700 -10.64200 1.000 H61 H -2.14700 0.35000 -7.76800 1.000 H62 H -5.28500 3.17800 -8.98200 1.000 H63 H -3.38600 1.30500 -10.38400 1.000 H64 H -0.74800 2.33500 -6.15100 1.000 H65 H -1.13500 -0.67600 -5.81400 1.000 H66 H -2.29500 0.57500 -5.31000 1.000 H67 H -0.09900 -2.19800 -3.84000 1.000 H68 H -0.06100 -3.12700 -1.44500 1.000 H69 H -1.02500 -3.34500 1.06600 1.000 H70 H -2.18500 -2.09200 1.57100 1.000 H71 H -1.70500 -0.73600 3.70000 1.000 H72 H -0.09700 -0.89500 4.44500 1.000 H73 H -0.25700 -0.19900 2.81500 1.000 H74 H 1.07900 -3.69400 2.36700 1.000 H75 H 1.48600 -1.97200 2.17000 1.000 H76 H 1.41800 -2.69000 3.79700 1.000 H77 H -2.26000 -3.05200 3.92700 1.000 H78 H -0.25500 -4.87400 3.05100 1.000 H79 H -1.25300 -1.67700 5.80500 1.000 H80 H 1.07400 -2.54500 7.14900 1.000 H81 H -0.32600 -3.39000 7.85000 1.000 H82 H -1.42100 -1.21000 8.29200 1.000 H83 H -0.02000 -0.36400 7.59100 1.000 H84 H -0.35700 0.43500 10.14200 1.000 H85 H 1.97000 -0.43200 11.48600 1.000 H86 H 0.56900 -1.27700 12.18700 1.000 H87 H -0.52500 0.90300 12.63000 1.000 H88 H 0.87500 1.74800 11.92900 1.000 H89 H 2.40200 2.72500 16.15600 1.000 H90 H 1.00100 1.87900 16.85800 1.000 H91 H 0.47500 5.53100 17.94900 1.000 H92 H 0.67500 3.90700 18.65000 1.000 H93 H 2.07500 4.75200 17.94900 1.000