# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JRT' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -2.77800 1.03900 0.36600 1.000 N1 N 0.84800 0.79700 1.00500 1.000 C2 C -4.56900 0.19700 -0.65100 1.000 C3 C -3.53200 -0.11200 0.24600 1.000 C4 C -3.45100 -1.38200 0.79900 1.000 C5 C -4.39100 -2.33400 0.46300 1.000 C6 C -5.41500 -2.02900 -0.42300 1.000 C7 C 2.02600 0.33400 0.26700 1.000 C8 C 4.88900 -1.28100 0.47300 1.000 C9 C 6.70400 -0.83900 -1.02400 1.000 C10 C 5.19300 0.91800 -0.42200 1.000 O11 O -0.49500 0.29400 -0.68700 1.000 C12 C -0.37200 0.73400 0.43600 1.000 C13 C -1.58300 1.21100 1.19600 1.000 C14 C -3.34800 1.98100 -0.43300 1.000 N15 N -4.39300 1.48800 -1.03100 1.000 C16 C -5.51000 -0.78400 -0.97600 1.000 C17 C 3.27400 0.51400 1.13300 1.000 C18 C 4.48500 0.03700 0.37400 1.000 C19 C 5.99900 -1.71900 -0.22400 1.000 C20 C 6.29800 0.47800 -1.12700 1.000 H21 H 0.94700 1.15000 1.90400 1.000 H22 H -2.65600 -1.62500 1.48800 1.000 H23 H -4.33000 -3.32300 0.89200 1.000 H24 H -6.14300 -2.78400 -0.67700 1.000 H25 H 1.90600 -0.72000 0.01700 1.000 H26 H 2.13200 0.91500 -0.64900 1.000 H27 H 4.33800 -1.96900 1.09900 1.000 H28 H 7.57200 -1.18100 -1.56800 1.000 H29 H 4.87600 1.94700 -0.50300 1.000 H30 H -1.46300 2.26500 1.44600 1.000 H31 H -1.68900 0.63000 2.11200 1.000 H32 H -2.98500 2.99100 -0.55300 1.000 H33 H -6.31100 -0.55700 -1.66400 1.000 H34 H 3.39400 1.56800 1.38400 1.000 H35 H 3.16800 -0.06700 2.04900 1.000 H36 H 6.31700 -2.74800 -0.14300 1.000 H37 H 6.85100 1.16700 -1.74900 1.000