# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0K1' 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 -2.23200 -0.07100 0.11700 1.000 C1 C -3.60800 -0.26300 0.02200 1.000 C2 C -1.72100 1.21300 0.30000 1.000 C3 C -4.46400 0.83000 0.10400 1.000 C4 C -2.57700 2.29400 0.38000 1.000 C5 C -3.94200 2.11000 0.28100 1.000 C6 C 0.29900 -3.37800 -0.13300 1.000 C7 C 0.82000 -2.08600 0.05100 1.000 N8 N -0.00300 -1.04700 0.12800 1.000 C9 C -1.82800 -2.51900 -0.15100 1.000 C10 C -1.31200 -1.23100 0.03100 1.000 N11 N 1.15100 -4.46400 -0.21400 1.000 C12 C -5.93200 0.63300 0.00300 1.000 C13 C -6.88300 1.61000 0.06700 1.000 C14 C -6.59700 -0.59500 -0.18200 1.000 C15 C 4.22000 -0.46500 0.55400 1.000 C16 C 4.50400 0.73900 1.45500 1.000 C17 C 4.80300 -0.20900 -0.83700 1.000 C18 C 4.44300 2.24500 -0.53800 1.000 C19 C 6.59900 1.20300 0.17500 1.000 C20 C 5.95500 2.45300 -0.42700 1.000 O21 O 3.03700 -2.82100 -0.01400 1.000 C22 C 2.28000 -1.88500 0.15800 1.000 N23 N 2.77300 -0.66400 0.44700 1.000 C24 C 6.31500 -0.00100 -0.72600 1.000 O25 O 3.84100 3.41300 -1.10000 1.000 C26 C 4.15900 1.04100 -1.43900 1.000 C27 C 3.85900 1.99000 0.85300 1.000 C28 C 6.01600 0.94700 1.56600 1.000 N29 N -1.01500 -3.55500 -0.22300 1.000 N30 N -7.88100 -0.36000 -0.22100 1.000 N31 N -8.08700 1.01700 -0.06700 1.000 C32 C -9.38500 1.69600 -0.05200 1.000 H33 H -4.00800 -1.25600 -0.11500 1.000 H34 H -0.65500 1.36300 0.37800 1.000 H35 H -2.17700 3.28800 0.52200 1.000 H36 H -4.60600 2.95900 0.34500 1.000 H37 H -2.89500 -2.66500 -0.22400 1.000 H38 H 0.78800 -5.36200 -0.25700 1.000 H39 H 2.11100 -4.32700 -0.22800 1.000 H40 H -6.70400 2.66600 0.20000 1.000 H41 H -6.12600 -1.56200 -0.27600 1.000 H42 H 4.67900 -1.35600 0.98200 1.000 H43 H 4.08800 0.55700 2.44600 1.000 H44 H 4.60100 -1.06700 -1.47900 1.000 H45 H 7.67600 1.35100 0.25400 1.000 H46 H 6.37000 2.63500 -1.41800 1.000 H47 H 6.15700 3.31100 0.21500 1.000 H48 H 2.16900 0.08200 0.58500 1.000 H49 H 6.77400 -0.89200 -0.29700 1.000 H50 H 6.73100 0.18100 -1.71700 1.000 H51 H 4.16400 3.63500 -1.98400 1.000 H52 H 4.57500 1.22300 -2.43000 1.000 H53 H 3.08200 0.89200 -1.51800 1.000 H54 H 2.78300 1.84100 0.77400 1.000 H55 H 4.06200 2.84700 1.49500 1.000 H56 H 6.21800 1.80500 2.20800 1.000 H57 H 6.47500 0.05700 1.99500 1.000 H58 H -9.75900 1.74200 0.97000 1.000 H59 H -9.27100 2.70700 -0.44400 1.000 H60 H -10.09000 1.14300 -0.67300 1.000