# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FWE' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 8.79400 -2.66100 -0.06900 1.000 C1 C 6.38700 -3.28100 -0.22900 1.000 C2 C 4.03700 -3.90400 -0.38900 1.000 C3 C 2.75200 -3.22200 -0.81100 1.000 C4 C 0.23500 -1.73200 0.09300 1.000 C5 C -2.11500 -2.22600 0.10100 1.000 C6 C 16.44100 4.74300 -0.54600 1.000 C7 C 16.93300 3.44300 -0.56800 1.000 C8 C 16.06400 2.37500 -0.58600 1.000 C9 C 14.68300 2.60000 -0.58100 1.000 C10 C 13.75100 1.46400 -0.59900 1.000 C11 C 12.60200 1.52200 0.10800 1.000 C12 C 12.35800 2.66700 1.05700 1.000 C13 C 11.59500 0.47300 -0.04600 1.000 C14 C 9.44600 -0.41000 0.43800 1.000 C15 C 9.78300 -1.72800 0.14500 1.000 C16 C 7.45000 -2.28400 0.00600 1.000 C17 C 3.66600 -4.60500 0.90200 1.000 C18 C 2.38600 -4.33400 1.12300 1.000 C19 C 0.51700 -3.09400 0.11900 1.000 C20 C -1.07100 -1.29700 0.08300 1.000 C21 C -3.51600 -1.76500 0.08500 1.000 C22 C -5.11300 -0.00600 0.16200 1.000 C23 C -6.14600 -0.81500 -0.30300 1.000 C24 C -7.45200 -0.39000 -0.21600 1.000 C25 C -7.74600 0.85900 0.34100 1.000 C26 C -9.14300 1.31500 0.43500 1.000 C27 C -11.45300 1.00300 -0.02600 1.000 C28 C -11.85100 1.96200 0.90200 1.000 C29 C -13.14300 2.43400 0.90000 1.000 C30 C -14.06400 1.95200 -0.03700 1.000 C31 C -15.44600 2.45700 -0.04000 1.000 C32 C -13.66500 0.98600 -0.97300 1.000 C33 C -12.35900 0.52000 -0.96600 1.000 C34 C -11.44500 0.05900 -3.11400 1.000 C35 C -6.70700 1.67600 0.81100 1.000 C36 C -5.39400 1.23600 0.72400 1.000 C37 C -4.00000 1.86600 2.54500 1.000 C38 C -1.82800 -3.59400 0.11600 1.000 C39 C -0.52000 -4.02200 0.13100 1.000 C40 C 7.11500 -0.96000 0.30500 1.000 C41 C 8.10900 -0.03300 0.52400 1.000 C42 C 14.19200 3.91100 -0.55800 1.000 C43 C 15.06900 4.97200 -0.54100 1.000 N44 N 10.44900 0.53100 0.66000 1.000 N45 N 5.09200 -2.91500 -0.15600 1.000 N46 N 1.67300 -4.80300 2.22100 1.000 N47 N 1.84300 -3.53100 0.13400 1.000 N48 N -3.79100 -0.44500 0.07000 1.000 N49 N -10.14100 0.52900 -0.01700 1.000 O50 O 17.30100 5.79200 -0.52300 1.000 O51 O -16.24500 2.03700 -0.85400 1.000 O52 O -15.82700 3.38500 0.86000 1.000 O53 O -14.55200 0.51700 -1.88800 1.000 O54 O -11.96600 -0.41700 -1.87200 1.000 O55 O -9.39700 2.40200 0.91900 1.000 O56 O -6.98500 2.88700 1.35700 1.000 O57 O -4.38000 2.02300 1.17700 1.000 O58 O -4.42300 -2.57400 0.08600 1.000 O59 O 2.57700 -2.53900 -1.79800 1.000 O60 O 6.68000 -4.43200 -0.48800 1.000 O61 O 11.79200 -0.45200 -0.81300 1.000 H62 H 9.05600 -3.68400 -0.30000 1.000 H63 H 4.35200 -4.62800 -1.14100 1.000 H64 H 1.04300 -1.01400 0.08400 1.000 H65 H 17.99900 3.27100 -0.57200 1.000 H66 H 16.44800 1.36600 -0.60400 1.000 H67 H 13.98400 0.58300 -1.17900 1.000 H68 H 11.85300 3.47500 0.52900 1.000 H69 H 11.73400 2.32700 1.88400 1.000 H70 H 13.31100 3.02600 1.44600 1.000 H71 H 10.82100 -2.02000 0.08700 1.000 H72 H 4.31600 -5.20700 1.52000 1.000 H73 H -1.28900 -0.24000 0.06300 1.000 H74 H -5.92200 -1.77900 -0.73400 1.000 H75 H -8.25000 -1.02000 -0.57800 1.000 H76 H -11.14300 2.33600 1.62600 1.000 H77 H -13.44700 3.17800 1.62200 1.000 H78 H -10.56400 0.67400 -2.92700 1.000 H79 H -11.17000 -0.78900 -3.74200 1.000 H80 H -12.20300 0.65600 -3.62100 1.000 H81 H -3.18400 2.55100 2.77600 1.000 H82 H -4.85200 2.08700 3.18800 1.000 H83 H -3.67200 0.84000 2.71600 1.000 H84 H -2.63300 -4.31500 0.13000 1.000 H85 H -0.29800 -5.07800 0.15100 1.000 H86 H 6.07800 -0.66500 0.36300 1.000 H87 H 7.85100 0.99100 0.75100 1.000 H88 H 13.12700 4.09000 -0.55500 1.000 H89 H 14.69200 5.98400 -0.52300 1.000 H90 H 10.32200 1.22700 1.32400 1.000 H91 H 4.85900 -1.99600 0.05100 1.000 H92 H 2.12700 -5.30400 2.91600 1.000 H93 H 0.72100 -4.62800 2.29100 1.000 H94 H -3.07000 0.19900 -0.00500 1.000 H95 H -9.94600 -0.36600 -0.33600 1.000 H96 H 17.55100 6.07700 0.36700 1.000 H97 H -16.74500 3.68700 0.81900 1.000 H98 H -15.04200 -0.26400 -1.59700 1.000 H99 H -6.99300 3.61400 0.71900 1.000