# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0TX' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl 5.42800 2.46100 0.43700 1.000 N1 N 3.26900 -1.61000 -1.67400 1.000 C2 C 2.30500 -2.49200 -1.80800 1.000 C3 C 1.15900 -2.44900 -1.02700 1.000 C4 C 1.01500 -1.45200 -0.07400 1.000 C5 C 2.06100 -0.50900 0.06100 1.000 C6 C 1.99100 0.52900 1.00200 1.000 C7 C 3.01800 1.41800 1.10200 1.000 C8 C 4.13900 1.30900 0.28000 1.000 C9 C 4.23800 0.31300 -0.64400 1.000 C10 C 3.19700 -0.62200 -0.77500 1.000 N11 N -0.11800 -1.38200 0.72200 1.000 C12 C -1.18700 -2.37100 0.56300 1.000 C13 C -2.51100 -1.77300 1.04200 1.000 C14 C -2.90100 -0.60500 0.13300 1.000 C15 C -4.22600 -0.00700 0.61200 1.000 N16 N -4.60000 1.11400 -0.26000 1.000 C17 C -5.97100 1.56200 0.01800 1.000 C18 C -6.96500 0.57000 -0.59000 1.000 C19 C -3.64700 2.22400 -0.13000 1.000 C20 C -3.83400 3.19700 -1.29600 1.000 C21 C -0.86000 -3.61400 1.39300 1.000 H22 H 2.40700 -3.27300 -2.54800 1.000 H23 H 0.38300 -3.18800 -1.16100 1.000 H24 H 1.12700 0.62200 1.64300 1.000 H25 H 2.96300 2.21700 1.82600 1.000 H26 H 5.11200 0.24300 -1.27400 1.000 H27 H -0.20300 -0.67900 1.38400 1.000 H28 H -1.27300 -2.64800 -0.48800 1.000 H29 H -3.28900 -2.53600 1.00700 1.000 H30 H -2.39900 -1.41500 2.06600 1.000 H31 H -2.12400 0.15800 0.16800 1.000 H32 H -3.01400 -0.96300 -0.89000 1.000 H33 H -5.00300 -0.77000 0.57700 1.000 H34 H -4.11300 0.35100 1.63600 1.000 H35 H -6.12500 1.61600 1.09500 1.000 H36 H -6.12800 2.54700 -0.42200 1.000 H37 H -7.97600 0.96600 -0.49800 1.000 H38 H -6.72900 0.41700 -1.64300 1.000 H39 H -6.89800 -0.38100 -0.06100 1.000 H40 H -3.82400 2.74700 0.81100 1.000 H41 H -2.63000 1.83300 -0.14200 1.000 H42 H -3.16200 4.04600 -1.17200 1.000 H43 H -3.60700 2.68800 -2.23300 1.000 H44 H -4.86500 3.54900 -1.31400 1.000 H45 H -1.65500 -4.35000 1.27500 1.000 H46 H 0.08300 -4.04100 1.05200 1.000 H47 H -0.77400 -3.33800 2.44400 1.000