# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0GH' 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 9.05500 1.03700 -3.73400 1.000 C1 C 8.38500 1.01000 -2.35800 1.000 C2 C 8.82400 2.23400 -1.55300 1.000 C3 C 6.86500 1.03100 -2.53100 1.000 N4 N 6.22300 0.88400 -1.22200 1.000 C5 C 4.87800 0.87500 -1.12900 1.000 O6 O 4.20000 1.08200 -2.11300 1.000 C7 C 4.21700 0.60800 0.19900 1.000 C8 C 4.14000 -0.90200 0.43500 1.000 C9 C 3.27800 -1.54500 -0.65300 1.000 O10 O 5.45500 -1.45900 0.39200 1.000 N11 N 2.86100 1.17300 0.19300 1.000 C12 C 2.57900 1.87700 1.45100 1.000 C13 C 1.21500 2.56300 1.35700 1.000 C14 C 0.86600 3.19200 2.70700 1.000 C15 C -0.41800 3.97100 2.58100 1.000 C16 C -0.38400 5.30600 2.22300 1.000 C17 C -1.56200 6.02000 2.10800 1.000 C18 C -2.77300 5.40000 2.35000 1.000 C19 C -2.80700 4.06500 2.70700 1.000 C20 C -1.63000 3.34900 2.81900 1.000 N21 N 0.19500 1.57400 1.00000 1.000 C22 C -0.93600 1.96600 0.38000 1.000 O23 O -1.10900 3.13900 0.11600 1.000 C24 C -1.96500 0.96700 0.02000 1.000 C25 C -1.77000 -0.37700 0.32700 1.000 C26 C -3.13700 1.37200 -0.62300 1.000 C27 C -4.10300 0.43600 -0.96000 1.000 N28 N -5.27500 0.84400 -1.60300 1.000 C29 C -5.75500 2.21900 -1.44600 1.000 S30 S -6.12000 -0.22600 -2.54300 1.000 O31 O -6.80800 0.59500 -3.47700 1.000 O32 O -5.14200 -1.16300 -2.97300 1.000 C33 C -7.29000 -1.00700 -1.39800 1.000 C34 C -3.90900 -0.90500 -0.66100 1.000 C35 C -2.74300 -1.31500 -0.01400 1.000 C36 C -2.54000 -2.74400 0.31000 1.000 O37 O -3.38800 -3.56100 0.01300 1.000 N38 N -1.41300 -3.13900 0.93600 1.000 C39 C -1.21200 -4.55400 1.25700 1.000 C40 C -1.89000 -4.87600 2.59000 1.000 C41 C 0.26400 -4.84000 1.36200 1.000 C42 C 0.77800 -6.01700 0.85100 1.000 C43 C 2.13200 -6.28000 0.94800 1.000 C44 C 2.97100 -5.36600 1.55600 1.000 C45 C 2.45700 -4.18900 2.06800 1.000 C46 C 1.10500 -3.92400 1.96600 1.000 H47 H 10.13800 1.02300 -3.61100 1.000 H48 H 8.74200 0.16500 -4.30800 1.000 H49 H 8.76200 1.94400 -4.26300 1.000 H50 H 8.67800 0.10300 -1.83000 1.000 H51 H 8.34600 2.21500 -0.57300 1.000 H52 H 9.90700 2.22000 -1.43000 1.000 H53 H 8.53000 3.14100 -2.08200 1.000 H54 H 6.56300 1.97700 -2.98000 1.000 H55 H 6.56100 0.20800 -3.17900 1.000 H56 H 6.76500 0.79400 -0.42300 1.000 H57 H 4.80000 1.07100 0.99500 1.000 H58 H 3.69600 -1.09500 1.41200 1.000 H59 H 3.66900 -1.27500 -1.63400 1.000 H60 H 3.29800 -2.62900 -0.53900 1.000 H61 H 2.25100 -1.19000 -0.56100 1.000 H62 H 6.03400 -1.15700 1.10500 1.000 H63 H 2.17200 0.45700 0.01800 1.000 H64 H 2.57100 1.16300 2.27400 1.000 H65 H 3.35100 2.62600 1.62800 1.000 H66 H 1.25100 3.34000 0.59200 1.000 H67 H 0.74300 2.40700 3.45300 1.000 H68 H 1.66900 3.86200 3.01400 1.000 H69 H 0.56200 5.79100 2.03400 1.000 H70 H -1.53600 7.06300 1.82900 1.000 H71 H -3.69400 5.95900 2.26100 1.000 H72 H -3.75300 3.58000 2.89700 1.000 H73 H -1.65600 2.30600 3.09400 1.000 H74 H 0.33300 0.63700 1.21100 1.000 H75 H -0.86700 -0.69300 0.82800 1.000 H76 H -3.29000 2.41500 -0.85700 1.000 H77 H -5.32500 2.84600 -2.22700 1.000 H78 H -6.84300 2.23600 -1.52500 1.000 H79 H -5.45700 2.59900 -0.46900 1.000 H80 H -7.93900 -0.24500 -0.96600 1.000 H81 H -7.89600 -1.73500 -1.93800 1.000 H82 H -6.74000 -1.51000 -0.60300 1.000 H83 H -4.66300 -1.63200 -0.92500 1.000 H84 H -0.73600 -2.48700 1.17300 1.000 H85 H -1.64600 -5.17100 0.47000 1.000 H86 H -1.45600 -4.26000 3.37700 1.000 H87 H -2.95700 -4.66900 2.51400 1.000 H88 H -1.74000 -5.92900 2.82900 1.000 H89 H 0.12200 -6.73100 0.37500 1.000 H90 H 2.53300 -7.19900 0.54800 1.000 H91 H 4.02900 -5.57100 1.63300 1.000 H92 H 3.11300 -3.47500 2.54400 1.000 H93 H 0.70300 -3.00400 2.36600 1.000