# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '912' 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 7.32900 -1.22800 0.97000 1.000 C1 C 8.82300 -1.01500 0.71500 1.000 C2 C 9.08700 -1.00500 -0.79200 1.000 C3 C 8.65200 -2.34300 -1.39400 1.000 O4 O 10.48100 -0.80700 -1.03000 1.000 C5 C 8.29100 0.12900 -1.44200 1.000 C6 C 6.79800 -0.08500 -1.18700 1.000 C7 C 6.53400 -0.09400 0.32000 1.000 N8 N 5.10400 -0.29800 0.56400 1.000 C9 C 4.26200 0.75400 0.55400 1.000 O10 O 4.68800 1.87200 0.34200 1.000 C11 C 2.81800 0.54800 0.80000 1.000 C12 C 1.94600 1.63400 0.79000 1.000 C13 C 2.32500 -0.73700 1.03800 1.000 C14 C 0.97800 -0.93200 1.26800 1.000 C15 C 0.10800 0.14100 1.26500 1.000 C16 C 0.58700 1.43100 1.02300 1.000 N17 N -0.27800 2.49400 1.01500 1.000 C18 C -1.42400 2.40300 0.38100 1.000 S19 S -1.99300 0.98400 -0.50400 1.000 N20 N -2.36000 3.38300 0.30800 1.000 C21 C -3.57100 3.11600 -0.43400 1.000 C22 C -3.57900 1.70400 -1.03100 1.000 C23 C -4.73000 0.90700 -0.47300 1.000 O24 O -5.18300 1.17900 0.61900 1.000 N25 N -5.25600 -0.10800 -1.18700 1.000 C26 C -6.25300 -0.91400 -0.62700 1.000 C27 C -5.90600 -2.01200 0.15200 1.000 Cl28 Cl -4.23400 -2.38400 0.43200 1.000 C29 C -6.89400 -2.80600 0.70300 1.000 C30 C -8.22600 -2.50900 0.48000 1.000 C31 C -8.57400 -1.41800 -0.29500 1.000 C32 C -7.59200 -0.61700 -0.84400 1.000 C33 C -7.97300 0.57600 -1.68200 1.000 H34 H 7.02000 -2.18100 0.54100 1.000 H35 H 7.14100 -1.23500 2.04300 1.000 H36 H 9.13200 -0.06200 1.14400 1.000 H37 H 9.38900 -1.82300 1.17800 1.000 H38 H 7.58800 -2.49500 -1.21300 1.000 H39 H 8.84000 -2.33600 -2.46800 1.000 H40 H 9.21900 -3.15100 -0.93100 1.000 H41 H 10.72200 -0.78900 -1.96700 1.000 H42 H 8.60100 1.08200 -1.01300 1.000 H43 H 8.47900 0.13500 -2.51600 1.000 H44 H 6.23100 0.72300 -1.65000 1.000 H45 H 6.48800 -1.03800 -1.61600 1.000 H46 H 6.84300 0.85900 0.74900 1.000 H47 H 4.76300 -1.19100 0.73300 1.000 H48 H 2.32200 2.63000 0.60200 1.000 H49 H 2.99900 -1.58100 1.04100 1.000 H50 H 0.60200 -1.92700 1.45100 1.000 H51 H -0.94500 -0.01800 1.44500 1.000 H52 H -2.22000 4.23900 0.74300 1.000 H53 H -4.42700 3.22200 0.23300 1.000 H54 H -3.63600 1.74700 -2.11800 1.000 H55 H -4.94300 -0.27900 -2.08900 1.000 H56 H -6.62600 -3.65900 1.30800 1.000 H57 H -8.99600 -3.13100 0.91100 1.000 H58 H -9.61600 -1.18900 -0.46700 1.000 H59 H -8.06000 0.27400 -2.72600 1.000 H60 H -8.92900 0.97200 -1.33800 1.000 H61 H -7.20700 1.34500 -1.58900 1.000 H62 H -3.66100 3.84400 -1.24000 1.000