# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96M' 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 9.85400 0.16200 2.20000 1.000 C1 C 9.63600 -0.24200 0.74000 1.000 N2 N 9.00100 0.86500 0.01400 1.000 C3 C 9.90200 2.02200 -0.07400 1.000 C4 C 9.09900 3.26600 -0.45800 1.000 C5 C 8.56200 0.43700 -1.32000 1.000 C6 C 7.28400 -0.39600 -1.19400 1.000 O7 O 6.23300 0.42100 -0.67300 1.000 C8 C 5.04600 -0.19000 -0.41900 1.000 C9 C 3.98300 0.54300 0.08800 1.000 C10 C 2.77600 -0.07600 0.34700 1.000 C11 C 2.62700 -1.43500 0.10000 1.000 N12 N 1.40400 -2.06400 0.36200 1.000 C13 C 0.22100 -1.37300 0.18800 1.000 N14 N -0.91500 -1.95500 0.54100 1.000 C15 C -2.07300 -1.32200 0.38900 1.000 C16 C -2.06800 -0.01900 -0.15500 1.000 C17 C -0.83800 0.55300 -0.51400 1.000 N18 N 0.26400 -0.14700 -0.32300 1.000 C19 C -3.28100 0.68300 -0.33100 1.000 C20 C -4.45600 0.08200 0.03400 1.000 C21 C -4.42600 -1.27000 0.59600 1.000 O22 O -5.46600 -1.81300 0.92300 1.000 N23 N -3.25500 -1.91700 0.75200 1.000 C24 C -3.24300 -3.26900 1.31600 1.000 C25 C -5.74500 0.79200 -0.13800 1.000 C26 C -6.24400 1.59500 0.88800 1.000 Cl27 Cl -5.35600 1.76600 2.37000 1.000 C28 C -7.44500 2.25500 0.72100 1.000 C29 C -8.15400 2.12100 -0.45900 1.000 C30 C -7.66500 1.32600 -1.48000 1.000 C31 C -6.46200 0.66500 -1.32800 1.000 Cl32 Cl -5.84600 -0.32700 -2.61300 1.000 C33 C 3.69100 -2.16900 -0.40700 1.000 C34 C 4.89600 -1.54600 -0.67100 1.000 H35 H 8.89300 0.39400 2.65900 1.000 H36 H 10.32500 -0.66000 2.73800 1.000 H37 H 10.49800 1.04000 2.24100 1.000 H38 H 10.59700 -0.47500 0.28100 1.000 H39 H 8.99200 -1.12100 0.69900 1.000 H40 H 10.38300 2.18300 0.89100 1.000 H41 H 10.66300 1.83300 -0.83100 1.000 H42 H 8.59900 3.09600 -1.41100 1.000 H43 H 8.35400 3.47000 0.31200 1.000 H44 H 9.77100 4.12000 -0.54700 1.000 H45 H 8.36400 1.31400 -1.93700 1.000 H46 H 9.34300 -0.16400 -1.78400 1.000 H47 H 6.99900 -0.77400 -2.17500 1.000 H48 H 7.46200 -1.23300 -0.52000 1.000 H49 H 4.09900 1.60000 0.28000 1.000 H50 H 1.94900 0.49500 0.74200 1.000 H51 H 1.38800 -2.98500 0.66600 1.000 H52 H -0.79400 1.54700 -0.93300 1.000 H53 H -3.28200 1.68000 -0.74700 1.000 H54 H -4.26400 -3.57700 1.54300 1.000 H55 H -2.80700 -3.96000 0.59400 1.000 H56 H -2.64900 -3.27700 2.23000 1.000 H57 H -7.83300 2.87800 1.51500 1.000 H58 H -9.09400 2.63800 -0.58400 1.000 H59 H -8.22300 1.22500 -2.39900 1.000 H60 H 3.57600 -3.22500 -0.59900 1.000 H61 H 5.72200 -2.11600 -1.06900 1.000