# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJT' 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 -4.40800 1.43800 -0.10000 1.000 C1 C -4.27700 0.10500 -0.84000 1.000 C2 C -2.80000 -0.28200 -0.93500 1.000 C3 C -0.44400 -2.12000 0.24700 1.000 C4 C -1.01900 -4.35400 0.17900 1.000 C5 C 1.21000 -3.85200 -0.08700 1.000 C6 C 0.89600 -2.48700 0.04600 1.000 C7 C 2.16100 -1.76300 -0.07300 1.000 C8 C 3.11900 -2.68500 -0.26000 1.000 C9 C 2.35200 -0.27000 0.00100 1.000 C10 C 2.83700 0.24900 -1.35400 1.000 C11 C 3.03200 1.76500 -1.27900 1.000 C12 C 4.07100 2.09300 -0.20600 1.000 C13 C 4.26200 3.58600 -0.13200 1.000 C14 C -5.99100 3.08700 0.69700 1.000 O15 O 3.63000 4.31600 -0.86600 1.000 N16 N 5.13700 4.11100 0.74900 1.000 C17 C 3.58600 1.57400 1.14900 1.000 C18 C 3.39200 0.05800 1.07400 1.000 N19 N 2.56300 -3.93800 -0.27100 1.000 N20 N 0.22200 -4.74200 -0.01600 1.000 N21 N -1.35800 -3.08400 0.30800 1.000 N22 N -0.80300 -0.79200 0.38200 1.000 C23 C -2.21700 -0.42100 0.47300 1.000 C24 C -2.34900 0.91200 1.21300 1.000 C25 C -3.82600 1.29900 1.30800 1.000 N26 N -5.82600 1.80900 -0.00900 1.000 C27 C -6.44400 1.86000 -1.34100 1.000 H28 H -3.86400 2.21000 -0.64400 1.000 H29 H -4.82100 -0.66800 -0.29600 1.000 H30 H -4.69200 0.20400 -1.84300 1.000 H31 H -2.70600 -1.23200 -1.46200 1.000 H32 H -2.25600 0.49000 -1.47800 1.000 H33 H -1.79400 -5.10500 0.23600 1.000 H34 H 4.17100 -2.47200 -0.38500 1.000 H35 H 1.40500 0.20500 0.25500 1.000 H36 H 3.78400 -0.22700 -1.60800 1.000 H37 H 2.09700 0.01500 -2.11900 1.000 H38 H 3.37700 2.13500 -2.24500 1.000 H39 H 2.08400 2.24100 -1.02600 1.000 H40 H 5.01800 1.61800 -0.46000 1.000 H41 H -5.45900 3.87100 0.15900 1.000 H42 H -7.05100 3.33900 0.75000 1.000 H43 H -5.58800 3.00000 1.70600 1.000 H44 H 5.64300 3.52800 1.33600 1.000 H45 H 5.26000 5.07200 0.79700 1.000 H46 H 4.32700 1.80800 1.91400 1.000 H47 H 2.63900 2.05000 1.40300 1.000 H48 H 3.04700 -0.31200 2.04000 1.000 H49 H 4.33900 -0.41700 0.82100 1.000 H50 H 3.05600 -4.76500 -0.39000 1.000 H51 H -0.11800 -0.10500 0.41700 1.000 H52 H -2.76100 -1.19300 1.01700 1.000 H53 H -1.93400 0.81300 2.21600 1.000 H54 H -1.80500 1.68400 0.66900 1.000 H55 H -3.91900 2.24900 1.83500 1.000 H56 H -4.37000 0.52700 1.85200 1.000 H57 H -6.36900 0.88100 -1.81400 1.000 H58 H -7.49400 2.13800 -1.24400 1.000 H59 H -5.92700 2.60000 -1.95300 1.000