# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JAN' 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 2.84400 -3.04300 0.78500 1.000 N1 N 2.76100 -2.35300 2.07400 1.000 C2 C 3.62000 -2.48100 3.10900 1.000 N3 N 3.21900 -1.71100 4.08300 1.000 C4 C 2.10100 -1.07100 3.71000 1.000 C5 C 1.80100 -1.45400 2.45400 1.000 C6 C 0.62900 -0.98900 1.62800 1.000 C7 C -0.25200 -0.09800 2.46500 1.000 C8 C -1.28400 -0.64400 3.20400 1.000 C9 C -2.09300 0.17200 3.97100 1.000 C10 C -1.86900 1.53700 4.00000 1.000 Cl11 Cl -2.88400 2.56300 4.96400 1.000 C12 C -0.83500 2.08300 3.26100 1.000 C13 C -0.02300 1.26400 2.49800 1.000 N14 N -0.14200 -2.15400 1.17400 1.000 C15 C 1.13000 -0.22100 0.43300 1.000 C16 C 0.45600 -0.29900 -0.75300 1.000 C17 C 0.91600 0.41600 -1.86000 1.000 C18 C 2.27400 0.55500 0.54300 1.000 C19 C 2.74900 1.26600 -0.53700 1.000 C20 C 2.07500 1.20400 -1.75300 1.000 N21 N 2.52800 1.90600 -2.85100 1.000 C22 C 3.73700 2.72500 -2.73200 1.000 C23 C 1.88200 1.85200 -4.02700 1.000 O24 O 2.31600 2.48700 -4.97300 1.000 C25 C 0.71700 1.08100 -4.19900 1.000 C26 C 0.21100 0.35900 -3.15100 1.000 C27 C -1.01100 -0.45600 -3.31200 1.000 C28 C -2.13400 -0.19900 -2.52500 1.000 C29 C -3.27500 -0.96100 -2.68500 1.000 Cl30 Cl -4.67600 -0.63800 -1.71200 1.000 C31 C -3.30100 -1.98600 -3.61500 1.000 C32 C -2.18800 -2.24900 -4.39400 1.000 C33 C -1.04500 -1.49100 -4.24900 1.000 H34 H 2.32600 -4.00000 0.85000 1.000 H35 H 2.37900 -2.42900 0.01400 1.000 H36 H 3.89100 -3.21300 0.53100 1.000 H37 H 4.49300 -3.11600 3.12700 1.000 H38 H 1.54200 -0.36700 4.30900 1.000 H39 H -1.45900 -1.71000 3.18100 1.000 H40 H -2.90000 -0.25400 4.54800 1.000 H41 H -0.65900 3.14800 3.28300 1.000 H42 H 0.78300 1.69100 1.92100 1.000 H43 H -0.97100 -1.79500 0.72600 1.000 H44 H 0.40500 -2.60200 0.45500 1.000 H45 H -0.43100 -0.90900 -0.83300 1.000 H46 H 2.79800 0.60300 1.48700 1.000 H47 H 3.64000 1.86800 -0.44100 1.000 H48 H 3.94600 3.20500 -3.68800 1.000 H49 H 3.58500 3.48900 -1.96800 1.000 H50 H 4.57800 2.09300 -2.45000 1.000 H51 H 0.22100 1.06000 -5.15800 1.000 H52 H -2.11400 0.59900 -1.79900 1.000 H53 H -4.19300 -2.58200 -3.73400 1.000 H54 H -2.21500 -3.04900 -5.11900 1.000 H55 H -0.17700 -1.69700 -4.85800 1.000