# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J6K' 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 5.39000 0.51600 -2.24800 1.000 C1 C 4.40500 -0.84200 -0.56300 1.000 C2 C 2.70600 0.15000 0.82100 1.000 C3 C 2.55000 -1.01700 1.51200 1.000 C4 C 3.32400 -2.13200 1.17800 1.000 C5 C 5.88800 -3.68800 -0.88400 1.000 C6 C 4.25900 -2.04200 0.13200 1.000 C7 C 1.86800 1.34900 1.18600 1.000 C8 C 2.78200 2.54700 1.45000 1.000 C9 C 1.95500 3.71100 1.93300 1.000 O10 O 2.54900 4.87800 2.23000 1.000 C11 C 1.43500 2.13800 -1.15000 1.000 C12 C -0.78600 2.25800 -2.03500 1.000 C13 C -1.72300 2.58100 -3.17100 1.000 C14 C -1.28900 1.78500 -0.83700 1.000 C15 C -2.77400 1.59300 -0.66700 1.000 C16 C -3.45800 0.07900 -2.58500 1.000 C17 C -5.76200 -2.05000 -0.28900 1.000 C18 C -5.41100 -0.41500 1.42400 1.000 C19 C -0.43100 1.50000 0.20800 1.000 O20 O 5.30100 -0.74400 -1.58000 1.000 C21 C 3.62800 0.24600 -0.21300 1.000 N22 N 3.42000 -3.39500 1.64200 1.000 N23 N 4.31200 -4.02900 0.96500 1.000 N24 N 4.84300 -3.28300 0.05900 1.000 O25 O 0.75900 3.59400 2.05400 1.000 C26 C 0.93200 1.67100 0.05000 1.000 C27 C 0.57600 2.43400 -2.19100 1.000 N28 N -3.15500 0.26800 -1.16500 1.000 S29 S -3.24200 -1.01400 -0.12100 1.000 O30 O -2.93900 -2.17400 -0.88400 1.000 O31 O -2.51600 -0.63700 1.04100 1.000 C32 C -4.92600 -1.17100 0.37400 1.000 C33 C -7.08400 -2.16900 0.09600 1.000 C34 C -7.57100 -1.40800 1.14300 1.000 C35 C -6.73400 -0.52900 1.80500 1.000 H36 H 4.42200 0.76400 -2.68500 1.000 H37 H 5.67300 1.28800 -1.53200 1.000 H38 H 6.14000 0.45800 -3.03600 1.000 H39 H 1.83000 -1.07900 2.31400 1.000 H40 H 6.86700 -3.48800 -0.44900 1.000 H41 H 5.79400 -4.75300 -1.09500 1.000 H42 H 5.78000 -3.12300 -1.81000 1.000 H43 H 1.28900 1.12800 2.08300 1.000 H44 H 3.51700 2.28300 2.21000 1.000 H45 H 3.29400 2.82300 0.52900 1.000 H46 H 1.97700 5.59600 2.53600 1.000 H47 H 2.49900 2.27600 -1.27200 1.000 H48 H -1.95200 3.64600 -3.16100 1.000 H49 H -1.25000 2.31900 -4.11700 1.000 H50 H -2.64400 2.01000 -3.05500 1.000 H51 H -3.03200 1.67200 0.38900 1.000 H52 H -3.30700 2.35900 -1.23000 1.000 H53 H -2.53400 -0.10400 -3.13300 1.000 H54 H -4.12600 -0.77500 -2.70300 1.000 H55 H -3.94100 0.97400 -2.97600 1.000 H56 H -5.38300 -2.64100 -1.11000 1.000 H57 H -4.75700 0.27200 1.94200 1.000 H58 H -0.82400 1.13900 1.14700 1.000 H59 H 3.73800 1.17700 -0.74900 1.000 H60 H 0.96900 2.80400 -3.12700 1.000 H61 H -7.73800 -2.85600 -0.42100 1.000 H62 H -8.60400 -1.50000 1.44300 1.000 H63 H -7.11500 0.06600 2.62300 1.000