# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90L' 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 -1.55600 3.82800 -1.39600 1.000 C1 C -1.14900 2.76800 -0.72600 1.000 C2 C -2.04200 1.83800 0.02200 1.000 C3 C -3.53100 2.11400 -0.26000 1.000 C4 C -3.76900 3.62600 -0.30400 1.000 O5 O 8.51400 -2.93300 -0.07300 1.000 C6 C 8.19700 -1.54500 0.05000 1.000 C7 C 6.70600 -1.33700 -0.21900 1.000 C8 C 6.36600 0.14900 -0.08700 1.000 C9 C 4.87500 0.35800 -0.35600 1.000 C10 C 4.55000 1.85700 -0.32500 1.000 O11 O 4.69900 2.35200 1.00700 1.000 C12 C 3.10500 2.05100 -0.78700 1.000 C13 C 4.05400 -0.34000 0.73000 1.000 O14 O 4.16100 -1.75600 0.56800 1.000 C15 C 2.61200 0.06500 0.62900 1.000 C16 C 2.19400 1.12300 -0.03800 1.000 C17 C 0.75700 1.40900 -0.04700 1.000 C18 C 0.28700 2.48100 -0.71700 1.000 C19 C -1.91500 2.06500 1.54400 1.000 C20 C -3.23600 1.51300 2.12000 1.000 C21 C -4.26400 1.54700 0.97600 1.000 C22 C -3.99200 1.42600 -1.54600 1.000 C23 C -3.00100 4.23100 -1.47700 1.000 C24 C -4.76800 0.13200 0.68200 1.000 C25 C -5.63000 -0.35400 1.84900 1.000 C26 C -3.57400 -0.80800 0.50400 1.000 C27 C -4.07200 -2.18900 0.07300 1.000 C28 C -2.87800 -3.12900 -0.10500 1.000 C29 C -3.37600 -4.51000 -0.53600 1.000 O30 O -3.98000 -4.41700 -1.82700 1.000 C31 C -2.19700 -5.48200 -0.59300 1.000 C32 C -4.40700 -5.01800 0.47400 1.000 H33 H -0.82000 4.43400 -1.90400 1.000 H34 H -1.79200 0.80500 -0.22200 1.000 H35 H -4.83400 3.82300 -0.42600 1.000 H36 H -3.42000 4.07600 0.62500 1.000 H37 H 9.44500 -3.14000 0.08500 1.000 H38 H 8.43600 -1.20600 1.05800 1.000 H39 H 8.78000 -0.97400 -0.67300 1.000 H40 H 6.46700 -1.67600 -1.22700 1.000 H41 H 6.12300 -1.90800 0.50400 1.000 H42 H 6.60500 0.48900 0.92000 1.000 H43 H 6.94900 0.72000 -0.81000 1.000 H44 H 4.61700 -0.05500 -1.33200 1.000 H45 H 5.22600 2.39100 -0.99200 1.000 H46 H 4.50800 3.29600 1.09900 1.000 H47 H 2.80200 3.08100 -0.60300 1.000 H48 H 3.03600 1.84100 -1.85500 1.000 H49 H 4.43900 -0.05800 1.71000 1.000 H50 H 3.66500 -2.26500 1.22400 1.000 H51 H 1.87600 -0.54500 1.13100 1.000 H52 H 0.07400 0.76100 0.48200 1.000 H53 H 0.97000 3.12900 -1.24600 1.000 H54 H -1.06400 1.51200 1.94200 1.000 H55 H -1.81700 3.12800 1.76400 1.000 H56 H -3.09400 0.48900 2.46400 1.000 H57 H -3.57400 2.14100 2.94500 1.000 H58 H -5.10000 2.19300 1.24300 1.000 H59 H -3.74800 0.36400 -1.49800 1.000 H60 H -5.06900 1.54700 -1.65800 1.000 H61 H -3.48600 1.87600 -2.40100 1.000 H62 H -3.07800 5.31800 -1.44600 1.000 H63 H -3.42900 3.86300 -2.41000 1.000 H64 H -5.36300 0.14100 -0.23100 1.000 H65 H -6.42900 0.36400 2.03400 1.000 H66 H -6.06300 -1.32300 1.60200 1.000 H67 H -5.01300 -0.44900 2.74200 1.000 H68 H -2.90700 -0.40700 -0.26000 1.000 H69 H -3.03500 -0.89400 1.44800 1.000 H70 H -4.73900 -2.58900 0.83700 1.000 H71 H -4.61100 -2.10200 -0.87000 1.000 H72 H -2.21100 -2.72800 -0.86900 1.000 H73 H -2.33900 -3.21500 0.83900 1.000 H74 H -3.38300 -4.10000 -2.51900 1.000 H75 H -1.73600 -5.55300 0.39200 1.000 H76 H -2.55200 -6.46600 -0.90000 1.000 H77 H -1.46200 -5.12000 -1.31200 1.000 H78 H -5.24800 -4.32500 0.51500 1.000 H79 H -4.76200 -6.00200 0.16700 1.000 H80 H -3.94700 -5.08900 1.45900 1.000