# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JWF' 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 -5.75800 -1.39700 1.09000 1.000 C1 C -7.17800 -1.96100 1.17500 1.000 N2 N -7.61400 -2.38800 -0.16200 1.000 C3 C -8.94500 -3.00600 -0.10900 1.000 C4 C -7.59300 -1.26100 -1.10500 1.000 C5 C -6.17300 -0.69700 -1.19000 1.000 N6 N -5.73700 -0.27000 0.14700 1.000 C7 C -4.46800 0.31900 0.09700 1.000 C8 C -4.23900 1.40500 -0.73800 1.000 C9 C -2.98800 1.98500 -0.78800 1.000 C10 C -3.44000 -0.17900 0.88600 1.000 C11 C -2.18800 0.40200 0.83700 1.000 C12 C -1.95800 1.48400 -0.00300 1.000 N13 N -0.68800 2.07200 -0.05300 1.000 C14 C 0.44200 1.27700 -0.05700 1.000 C15 C 0.35200 -0.10400 -0.15000 1.000 C16 C 1.54800 -0.83700 -0.14700 1.000 O17 O 1.51400 -2.05500 -0.22700 1.000 N18 N 2.73000 -0.20500 -0.05700 1.000 C19 C 3.90000 -0.97200 -0.05800 1.000 C20 C 4.95200 -0.63700 -0.90100 1.000 C21 C 6.10500 -1.39600 -0.89900 1.000 C22 C 6.21400 -2.49000 -0.05900 1.000 Cl23 Cl 7.66600 -3.44200 -0.06000 1.000 C24 C 5.16800 -2.82600 0.78200 1.000 C25 C 4.01400 -2.06800 0.78900 1.000 N26 N 2.83400 1.07000 0.02900 1.000 C27 C 1.78600 1.86200 0.03100 1.000 C28 C 1.95800 3.32700 0.12700 1.000 N29 N 0.99200 4.22300 0.14400 1.000 C30 C 1.51200 5.44400 0.23900 1.000 N31 N 2.81600 5.35400 0.28500 1.000 N32 N 3.13600 3.98800 0.21900 1.000 H33 H -5.44300 -1.05200 2.07500 1.000 H34 H -5.07800 -2.17400 0.74200 1.000 H35 H -7.19000 -2.81500 1.85200 1.000 H36 H -7.85300 -1.19100 1.54900 1.000 H37 H -9.66500 -2.28500 0.27900 1.000 H38 H -9.24300 -3.31300 -1.11200 1.000 H39 H -8.91600 -3.87800 0.54400 1.000 H40 H -7.90700 -1.60500 -2.09000 1.000 H41 H -8.27300 -0.48400 -0.75700 1.000 H42 H -5.49700 -1.46700 -1.56400 1.000 H43 H -6.16100 0.15700 -1.86700 1.000 H44 H -5.04000 1.79500 -1.34900 1.000 H45 H -3.61900 -1.02100 1.53800 1.000 H46 H -2.80900 2.82900 -1.43800 1.000 H47 H -1.38900 0.01500 1.45100 1.000 H48 H -0.60200 3.03800 -0.08600 1.000 H49 H -0.60600 -0.59700 -0.22100 1.000 H50 H 4.86700 0.21700 -1.55700 1.000 H51 H 3.20000 -2.32800 1.44900 1.000 H52 H 6.92300 -1.13600 -1.55500 1.000 H53 H 5.25500 -3.68100 1.43700 1.000 H54 H 4.02300 3.59600 0.23400 1.000 H55 H 0.94700 6.36300 0.27300 1.000