# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0SS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 4.38600 -1.32600 0.86900 1.000 C1 C 4.38700 -0.22600 0.35200 1.000 N2 N 5.54900 0.33300 -0.04200 1.000 C3 C 6.75000 -0.35200 0.14300 1.000 N4 N 7.99100 0.09100 -0.19900 1.000 C5 C 8.29200 1.31900 -0.80200 1.000 C6 C 7.41300 1.87700 -1.72200 1.000 C7 C 7.71300 3.08700 -2.31500 1.000 C8 C 8.88600 3.74500 -1.99400 1.000 C9 C 9.21000 5.06600 -2.64300 1.000 C10 C 9.76300 3.19300 -1.07800 1.000 C11 C 9.46600 1.98500 -0.47700 1.000 N12 N 8.91300 -0.90100 0.16000 1.000 C13 C 8.25900 -1.89900 0.69600 1.000 C14 C 8.87000 -3.17300 1.22000 1.000 C15 C 8.25300 -3.51400 2.57700 1.000 C16 C 8.59900 -4.31200 0.23500 1.000 C17 C 10.38000 -2.98500 1.37900 1.000 C18 C 6.89700 -1.58300 0.70600 1.000 N19 N 3.22600 0.43300 0.16700 1.000 C20 C 1.96300 -0.17600 0.59000 1.000 C21 C 0.80700 0.77200 0.26900 1.000 N22 N -0.46000 0.16100 0.69300 1.000 C23 C -1.56200 1.13000 0.62100 1.000 C24 C -2.82200 0.51300 1.23800 1.000 C25 C -0.75500 -1.04100 -0.09800 1.000 C26 C -1.98200 -1.74700 0.49000 1.000 N27 N -3.08200 -0.77600 0.57800 1.000 C28 C -4.29700 -1.05800 0.06800 1.000 O29 O -4.47000 -2.08700 -0.55600 1.000 N30 N -5.32100 -0.20100 0.25100 1.000 C31 C -6.60200 -0.54100 -0.18300 1.000 C32 C -6.96100 -1.69900 -0.80200 1.000 C33 C -8.33200 -1.63700 -1.06600 1.000 C34 C -9.14900 -2.70800 -1.74200 1.000 C35 C -10.49500 -2.12600 -2.17800 1.000 C36 C -8.39500 -3.22500 -2.97000 1.000 C37 C -9.38400 -3.86200 -0.76600 1.000 N38 N -8.78800 -0.49100 -0.62700 1.000 N39 N -7.72300 0.22000 -0.06000 1.000 C40 C -7.79700 1.49300 0.52200 1.000 C41 C -8.66300 2.44600 0.00300 1.000 C42 C -7.00800 1.80200 1.62200 1.000 C43 C -7.08300 3.05700 2.19300 1.000 C44 C -7.94300 4.00600 1.67100 1.000 C45 C -8.02200 5.37500 2.29600 1.000 C46 C -8.73400 3.70000 0.57900 1.000 H47 H 5.55000 1.21000 -0.45500 1.000 H48 H 6.49700 1.36300 -1.97400 1.000 H49 H 7.03000 3.52100 -3.03100 1.000 H50 H 8.80400 5.87700 -2.03800 1.000 H51 H 10.29100 5.17700 -2.72000 1.000 H52 H 8.76900 5.09900 -3.63900 1.000 H53 H 10.67800 3.70800 -0.82900 1.000 H54 H 10.14900 1.55600 0.24100 1.000 H55 H 7.17700 -3.64800 2.46400 1.000 H56 H 8.69500 -4.43600 2.95600 1.000 H57 H 8.44600 -2.70300 3.27900 1.000 H58 H 9.03900 -4.06900 -0.73200 1.000 H59 H 9.04200 -5.23300 0.61400 1.000 H60 H 7.52300 -4.44600 0.12100 1.000 H61 H 10.57400 -2.17400 2.08100 1.000 H62 H 10.82300 -3.90600 1.75800 1.000 H63 H 10.82100 -2.74200 0.41200 1.000 H64 H 6.10200 -2.20600 1.08900 1.000 H65 H 3.22700 1.31100 -0.24500 1.000 H66 H 1.81900 -1.11800 0.06000 1.000 H67 H 1.99200 -0.36500 1.66300 1.000 H68 H 0.95100 1.71400 0.79900 1.000 H69 H 0.77800 0.96100 -0.80400 1.000 H70 H -1.29100 2.03100 1.17100 1.000 H71 H -1.75500 1.38500 -0.42100 1.000 H72 H -2.66600 0.35300 2.30500 1.000 H73 H -3.66900 1.18200 1.08800 1.000 H74 H -0.96000 -0.75600 -1.13000 1.000 H75 H 0.10100 -1.71400 -0.07000 1.000 H76 H -2.27400 -2.57300 -0.15800 1.000 H77 H -1.74400 -2.12700 1.48300 1.000 H78 H -5.16700 0.65300 0.68400 1.000 H79 H -6.30400 -2.52100 -1.04500 1.000 H80 H -11.03100 -1.75800 -1.30300 1.000 H81 H -10.32600 -1.30400 -2.87300 1.000 H82 H -11.08500 -2.90100 -2.66700 1.000 H83 H -8.98600 -4.00000 -3.45900 1.000 H84 H -8.22700 -2.40300 -3.66500 1.000 H85 H -7.43700 -3.64000 -2.65900 1.000 H86 H -9.92100 -3.49400 0.10900 1.000 H87 H -9.97500 -4.63700 -1.25500 1.000 H88 H -8.42600 -4.27800 -0.45500 1.000 H89 H -9.28100 2.20700 -0.85000 1.000 H90 H -6.33700 1.06100 2.03100 1.000 H91 H -6.47000 3.29800 3.04900 1.000 H92 H -7.29600 6.03400 1.82100 1.000 H93 H -9.02500 5.77900 2.15900 1.000 H94 H -7.80200 5.30100 3.36100 1.000 H95 H -9.40700 4.44100 0.17500 1.000