# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9ZK' 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 -1.62700 2.61100 -3.57200 1.000 C1 C -2.64100 1.82900 -4.09200 1.000 C2 C 7.63100 -0.80000 1.44100 1.000 C3 C 8.39800 0.09300 0.72600 1.000 C4 C 7.80400 1.13100 0.02100 1.000 C5 C 6.44700 1.28500 0.02400 1.000 C6 C -3.16200 0.78400 -3.34300 1.000 C7 C 5.65000 0.39000 0.74200 1.000 C8 C -1.13200 2.35200 -2.30800 1.000 C9 C 6.24700 -0.66600 1.45300 1.000 C10 C 4.02300 -0.81900 1.73600 1.000 C11 C 4.20600 0.25500 0.95100 1.000 C12 C -0.02600 3.20700 -1.74300 1.000 C13 C 3.13100 1.14500 0.38400 1.000 C14 C 2.77900 0.68100 -1.02400 1.000 C15 C 2.98400 -1.77000 -1.67800 1.000 C16 C 1.06500 -0.91900 -0.36100 1.000 C17 C -1.93000 -6.34300 -1.46700 1.000 C18 C -1.61200 -4.88000 -1.78300 1.000 C19 C -0.64300 -4.33100 -0.73400 1.000 C20 C -0.32600 -2.86800 -1.05100 1.000 C21 C 0.64400 -2.31800 -0.00200 1.000 C22 C -1.20400 -1.73700 1.48000 1.000 C23 C -1.75100 -0.74100 3.68700 1.000 C24 C -1.95200 -1.95300 2.77800 1.000 C25 C -3.42900 -2.18400 2.47200 1.000 C26 C -5.18700 -0.96800 3.96900 1.000 C27 C -2.66400 0.52700 -2.07400 1.000 C28 C 1.82100 1.61400 -1.70600 1.000 N29 N 2.23800 -0.69400 -1.00700 1.000 N30 N 0.01700 -2.32300 1.33600 1.000 C31 C -4.26700 -0.97200 2.77200 1.000 C32 C -4.21400 0.07100 1.98000 1.000 C33 C -5.04500 1.29700 2.26000 1.000 C34 C -4.63000 2.42400 1.31200 1.000 C35 C -3.20300 2.87300 1.63600 1.000 C36 C -3.22300 3.85300 2.81000 1.000 O37 O -2.61700 3.52400 0.48000 1.000 C38 C -1.27800 3.54300 0.37800 1.000 C39 C -0.62100 4.24000 -0.78500 1.000 N40 N 0.93000 2.35500 -1.02400 1.000 N41 N 5.23100 -1.37500 2.05600 1.000 O42 O 1.86300 1.70600 -2.92200 1.000 C43 C -1.65000 1.31100 -1.55900 1.000 O44 O -4.16000 0.01400 -3.85200 1.000 O45 O -0.59900 3.01100 1.22400 1.000 O46 O -1.71900 -1.06200 0.61400 1.000 N47 N -2.86000 -6.87100 -2.47400 1.000 O48 O 0.35300 0.01300 -0.03700 1.000 H49 H -1.21800 3.42200 -4.15700 1.000 H50 H -3.02800 2.03200 -5.08000 1.000 H51 H 8.10300 -1.60400 1.98600 1.000 H52 H 9.47300 -0.01500 0.71400 1.000 H53 H 8.42000 1.82400 -0.53400 1.000 H54 H 5.99100 2.09500 -0.52600 1.000 H55 H 3.06300 -1.18400 2.07200 1.000 H56 H 0.48200 3.72000 -2.55500 1.000 H57 H 2.24400 1.09200 1.01600 1.000 H58 H 3.49100 2.17300 0.34800 1.000 H59 H 3.71100 0.65900 -1.61600 1.000 H60 H 2.44700 -2.71200 -1.56200 1.000 H61 H 3.08400 -1.53700 -2.73800 1.000 H62 H 3.97500 -1.86000 -1.23100 1.000 H63 H -1.00900 -6.92600 -1.48200 1.000 H64 H -2.38600 -6.41100 -0.47900 1.000 H65 H -1.15600 -4.81300 -2.77000 1.000 H66 H -2.53300 -4.29700 -1.76800 1.000 H67 H -1.10000 -4.39800 0.25300 1.000 H68 H 0.27800 -4.91400 -0.75000 1.000 H69 H 0.13100 -2.80000 -2.03800 1.000 H70 H -1.24600 -2.28400 -1.03500 1.000 H71 H 1.51800 -2.97800 0.03600 1.000 H72 H -2.13200 0.15200 3.19100 1.000 H73 H -2.28900 -0.89400 4.62200 1.000 H74 H -0.68900 -0.61500 3.89500 1.000 H75 H -1.54300 -2.83600 3.27600 1.000 H76 H -3.53700 -2.43100 1.41000 1.000 H77 H -3.79400 -3.02700 3.06200 1.000 H78 H -5.72400 -0.02000 4.01100 1.000 H79 H -5.90200 -1.78600 3.88000 1.000 H80 H -4.60100 -1.09400 4.87900 1.000 H81 H -3.06800 -0.28600 -1.49000 1.000 H82 H 0.48200 -2.71800 2.10400 1.000 H83 H -3.55900 0.05300 1.12000 1.000 H84 H -6.09800 1.06100 2.08900 1.000 H85 H -4.90300 1.61600 3.29000 1.000 H86 H -4.66700 2.06400 0.28300 1.000 H87 H -5.31600 3.26200 1.42600 1.000 H88 H -2.60500 2.00100 1.90600 1.000 H89 H -3.81700 4.72700 2.54300 1.000 H90 H -3.66200 3.36800 3.68100 1.000 H91 H -2.20400 4.16300 3.04200 1.000 H92 H 0.16800 4.90000 -0.41900 1.000 H93 H -1.37100 4.83200 -1.31400 1.000 H94 H 0.90800 2.34900 -0.05700 1.000 H95 H 5.35400 -2.16000 2.61200 1.000 H96 H -1.26100 1.11100 -0.57200 1.000 H97 H -3.84900 -0.75600 -4.34600 1.000 H98 H -2.48700 -6.76000 -3.40500 1.000 H99 H -3.08600 -7.83600 -2.28700 1.000