# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C3R' 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 -3.91800 2.42400 0.67100 1.000 C1 C -0.33500 2.20900 0.58600 1.000 C2 C -0.01400 -0.46500 0.65600 1.000 C3 C 0.89800 -0.73200 -0.24700 1.000 C4 C 3.23900 0.02100 -0.31800 1.000 C5 C 4.54300 0.27500 0.39300 1.000 C6 C 4.30700 1.22500 1.56800 1.000 C7 C 6.86500 1.16200 0.14100 1.000 C8 C -7.54700 2.56000 -0.57900 1.000 C9 C -6.31500 1.98000 0.11900 1.000 C10 C -6.10200 0.55900 -0.33400 1.000 C11 C -5.99200 -0.40100 0.55000 1.000 C12 C -5.77900 -1.82200 0.09600 1.000 O13 O -5.85400 -1.88400 -1.32900 1.000 C14 C -4.40000 -2.30300 0.55500 1.000 O15 O -4.17300 -3.62800 0.07300 1.000 C16 C -5.08500 2.81800 -0.23700 1.000 C17 C -2.70600 2.05700 -0.18700 1.000 C18 C -1.63500 1.41000 0.69500 1.000 C19 C -1.39100 -0.02700 0.22900 1.000 C20 C 0.31500 -0.59800 2.12000 1.000 C21 C 2.30700 -1.05400 0.17800 1.000 C22 C 2.72300 -2.40200 -0.41500 1.000 C23 C 5.54100 0.90500 -0.58100 1.000 O24 O 5.76200 0.01700 -1.67800 1.000 C25 C 6.18100 0.66900 -2.87800 1.000 C26 C 7.45100 -0.14900 0.59900 1.000 O27 O 8.55000 -0.16100 1.36900 1.000 O28 O 6.93100 -1.18900 0.27300 1.000 O29 O 2.94100 0.68000 -1.28500 1.000 O30 O -2.38400 -0.90400 0.82300 1.000 C31 C -3.34000 -1.38100 0.01100 1.000 O32 O -3.35000 -1.07200 -1.15700 1.000 H33 H -3.66400 3.26100 1.32000 1.000 H34 H -4.20600 1.56600 1.28000 1.000 H35 H -0.50900 3.23300 0.91800 1.000 H36 H 0.42800 1.74900 1.21400 1.000 H37 H 0.00300 2.21500 -0.45000 1.000 H38 H 0.63900 -0.72100 -1.29500 1.000 H39 H 4.94400 -0.66900 0.76400 1.000 H40 H 3.59700 0.77600 2.26200 1.000 H41 H 5.25100 1.40900 2.08300 1.000 H42 H 3.90700 2.16900 1.19800 1.000 H43 H 7.56100 1.65300 -0.53900 1.000 H44 H 6.69000 1.80300 1.00600 1.000 H45 H -8.42200 1.96300 -0.32500 1.000 H46 H -7.70000 3.58800 -0.25100 1.000 H47 H -7.39500 2.54200 -1.65800 1.000 H48 H -6.46600 1.99900 1.19900 1.000 H49 H -6.04200 0.33200 -1.38800 1.000 H50 H -6.05400 -0.17500 1.60400 1.000 H51 H -6.54900 -2.46100 0.52900 1.000 H52 H -6.70200 -1.59300 -1.69100 1.000 H53 H -4.35900 -2.30000 1.64500 1.000 H54 H -3.31600 -3.99700 0.32700 1.000 H55 H -5.31200 3.87500 -0.09800 1.000 H56 H -4.81200 2.63900 -1.27700 1.000 H57 H -3.00900 1.35500 -0.96400 1.000 H58 H -2.30100 2.95700 -0.64800 1.000 H59 H -1.97200 1.40400 1.73100 1.000 H60 H -1.46700 -0.07500 -0.85700 1.000 H61 H -0.58300 -0.41900 2.71200 1.000 H62 H 0.68800 -1.60200 2.32000 1.000 H63 H 1.07800 0.13300 2.38900 1.000 H64 H 2.35600 -1.10500 1.26500 1.000 H65 H 2.67400 -2.35200 -1.50300 1.000 H66 H 3.74300 -2.63500 -0.10800 1.000 H67 H 2.04900 -3.18000 -0.05600 1.000 H68 H 5.14000 1.84900 -0.95100 1.000 H69 H 5.46100 1.44400 -3.14100 1.000 H70 H 7.16100 1.12100 -2.72300 1.000 H71 H 6.24200 -0.06000 -3.68600 1.000 H72 H 8.88900 -1.02600 1.63700 1.000