# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '00R' 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 5.31100 -1.60400 0.85500 1.000 C1 C 4.14100 -0.71200 0.43300 1.000 C2 C 4.38600 0.71700 0.92100 1.000 C3 C 5.68200 1.25000 0.30500 1.000 C4 C 6.85200 0.35900 0.72700 1.000 C5 C 6.60600 -1.07100 0.24000 1.000 N6 N -2.41800 -0.18600 -0.76100 1.000 C7 C -2.15600 -1.32000 -1.44800 1.000 O8 O -2.77200 -1.72700 -2.41300 1.000 N9 N -1.10500 -1.91400 -0.88400 1.000 N10 N -0.70100 -1.10400 0.20500 1.000 C11 C -1.52300 -0.05600 0.24400 1.000 O12 O -1.48100 0.85500 1.04800 1.000 C13 C -0.39300 -3.15400 -1.20600 1.000 C14 C 0.11000 -3.73900 0.09400 1.000 C15 C 0.48200 -2.99300 1.09900 1.000 C16 C 0.44100 -1.48200 1.04300 1.000 C17 C 1.71600 -0.95700 0.43600 1.000 O18 O 1.67800 -0.29500 -0.57900 1.000 N19 N 2.90100 -1.22300 1.02300 1.000 C20 C 8.12700 0.88400 0.12100 1.000 N21 N 9.37900 0.85700 0.69400 1.000 C22 C 10.23500 1.43200 -0.19300 1.000 N23 N 9.55300 1.79300 -1.25300 1.000 C24 C 8.26100 1.46200 -1.08500 1.000 N25 N 11.59700 1.60600 -0.00700 1.000 C26 C -3.49800 0.75700 -1.06100 1.000 C27 C -4.75700 0.35200 -0.29200 1.000 S28 S -6.09400 1.52000 -0.66500 1.000 O29 O -5.80800 2.79800 -0.11300 1.000 O30 O -6.51500 1.38300 -2.01500 1.000 C31 C -7.46300 0.93700 0.27900 1.000 C32 C -7.65800 1.39300 1.56900 1.000 C33 C -8.73200 0.93400 2.30900 1.000 C34 C -9.61000 0.02000 1.75900 1.000 C35 C -9.41500 -0.43600 0.46900 1.000 C36 C -8.34500 0.02700 -0.27400 1.000 H37 H 5.39600 -1.60000 1.94200 1.000 H38 H 5.13500 -2.62200 0.50800 1.000 H39 H 4.05500 -0.71600 -0.65300 1.000 H40 H 3.55300 1.35200 0.62000 1.000 H41 H 4.47200 0.72000 2.00700 1.000 H42 H 5.59600 1.24600 -0.78100 1.000 H43 H 5.85700 2.26800 0.65200 1.000 H44 H 6.93700 0.36200 1.81400 1.000 H45 H 7.43900 -1.70500 0.54100 1.000 H46 H 6.52000 -1.07400 -0.84700 1.000 H47 H -1.07200 -3.85600 -1.68900 1.000 H48 H 0.44700 -2.93700 -1.86500 1.000 H49 H 0.16300 -4.81300 0.19600 1.000 H50 H 0.83300 -3.47100 2.00200 1.000 H51 H 0.31300 -1.07800 2.04700 1.000 H52 H 2.93100 -1.75200 1.83500 1.000 H53 H 7.46600 1.63300 -1.79600 1.000 H54 H 12.01700 1.30600 0.81400 1.000 H55 H 12.13000 2.02900 -0.69900 1.000 H56 H -3.19700 1.76100 -0.76300 1.000 H57 H -3.70500 0.74300 -2.13100 1.000 H58 H -5.05800 -0.65200 -0.59100 1.000 H59 H -4.54900 0.36700 0.77800 1.000 H60 H -6.97100 2.10700 1.99900 1.000 H61 H -8.88400 1.29000 3.31800 1.000 H62 H -10.44900 -0.33900 2.33800 1.000 H63 H -10.10200 -1.15100 0.03900 1.000 H64 H -8.19300 -0.32900 -1.28200 1.000 H65 H 9.60600 0.49700 1.56600 1.000