# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '075' 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 -10.68900 -1.39900 -1.33800 1.000 C1 C -9.43100 -1.11800 -0.89600 1.000 C2 C -9.10300 -1.41300 0.43800 1.000 C3 C -10.10200 -1.99000 1.26300 1.000 C4 C -11.36800 -2.24000 0.71000 1.000 C5 C -7.82700 -1.15400 0.97200 1.000 C6 C -7.57000 -1.46900 2.27700 1.000 C7 C -8.55500 -2.03000 3.08600 1.000 C8 C -9.80000 -2.29400 2.60000 1.000 C9 C -5.58800 -0.37400 0.80900 1.000 C10 C -4.64800 0.23900 -0.19600 1.000 N11 N -11.60400 -1.93900 -0.54500 1.000 O12 O -6.85900 -0.60100 0.19700 1.000 O13 O -5.02900 0.46000 -1.32600 1.000 C14 C -1.04700 0.82600 -0.43000 1.000 O15 O -0.81900 0.17000 0.56400 1.000 C16 C -2.47000 1.13900 -0.81700 1.000 C17 C -2.67000 2.65500 -0.84300 1.000 S18 S -4.38300 3.03100 -1.30900 1.000 O19 O -5.24500 2.55600 -0.28400 1.000 C20 C -4.39100 4.84500 -1.27600 1.000 O21 O -4.59300 2.60100 -2.64700 1.000 N22 N -3.38400 0.54200 0.16000 1.000 C23 C 3.68900 1.80600 -0.89300 1.000 N24 N -0.02800 1.27600 -1.18900 1.000 O25 O 4.53400 1.36000 -1.63900 1.000 C26 C 2.28600 2.03800 -1.39400 1.000 C27 C 0.90700 -1.46400 -0.70000 1.000 C28 C 1.74300 -0.40000 -1.36500 1.000 C29 C -0.62700 -3.41400 0.51800 1.000 C30 C 1.35500 0.97300 -0.81300 1.000 O31 O 2.27100 1.95800 -2.82100 1.000 C32 C -0.30100 -1.83900 -1.25600 1.000 C33 C 1.35200 -2.06700 0.46100 1.000 C34 C -1.06900 -2.81500 -0.64600 1.000 C35 C 0.58200 -3.03900 1.07300 1.000 C36 C 5.55000 0.30400 0.83200 1.000 N37 N 4.00300 2.09500 0.38600 1.000 O38 O 4.61200 -0.45900 0.73200 1.000 C39 C 5.30500 1.78600 0.95800 1.000 C40 C 5.42600 2.18600 2.44600 1.000 C41 C 3.05300 2.74800 1.30700 1.000 C42 C 6.05800 3.57100 2.59300 1.000 C43 C 6.21500 1.13800 3.23400 1.000 S44 S 3.65700 2.20700 2.95900 1.000 N45 N 6.81000 -0.17300 0.82700 1.000 O46 O 9.31100 -0.87900 1.27800 1.000 C47 C 7.04800 -1.61200 0.70000 1.000 C48 C 7.15900 -1.99900 -0.76000 1.000 C49 C 6.39300 -1.62100 -1.84900 1.000 C50 C 6.68500 -2.11000 -3.10800 1.000 C51 C 8.41000 -1.98800 1.32200 1.000 C52 C 8.22100 -2.86800 -0.93300 1.000 C53 C 8.51200 -3.35700 -2.19600 1.000 C54 C 7.74600 -2.97900 -3.28100 1.000 C55 C 8.89500 -3.12500 0.39800 1.000 H56 H -10.94800 -1.17400 -2.36200 1.000 H57 H -8.70000 -0.67800 -1.55900 1.000 H58 H -12.14700 -2.67900 1.31700 1.000 H59 H -6.59000 -1.27600 2.68800 1.000 H60 H -8.32600 -2.26500 4.11500 1.000 H61 H -10.55100 -2.73300 3.24000 1.000 H62 H -5.17800 -1.32200 1.15800 1.000 H63 H -5.70800 0.30300 1.65500 1.000 H64 H -2.67600 0.72800 -1.80500 1.000 H65 H -2.46400 3.06600 0.14500 1.000 H66 H -1.99000 3.09900 -1.57100 1.000 H67 H -3.66000 5.22400 -1.99100 1.000 H68 H -5.38300 5.20900 -1.54300 1.000 H69 H -4.13400 5.19100 -0.27500 1.000 H70 H -3.07900 0.36500 1.06400 1.000 H71 H -0.21100 1.80100 -1.98400 1.000 H72 H 1.94800 3.02600 -1.08200 1.000 H73 H 1.57100 -0.42200 -2.44100 1.000 H74 H 2.79800 -0.58800 -1.16200 1.000 H75 H -1.22600 -4.17600 0.99400 1.000 H76 H 1.44300 0.96600 0.27300 1.000 H77 H 2.56200 1.10400 -3.17000 1.000 H78 H -0.64700 -1.37100 -2.16500 1.000 H79 H 2.29800 -1.77600 0.89300 1.000 H80 H -2.01300 -3.10800 -1.08000 1.000 H81 H 0.92800 -3.50700 1.98300 1.000 H82 H 6.07000 2.31600 0.38900 1.000 H83 H 2.03800 2.39300 1.13100 1.000 H84 H 3.10600 3.83300 1.21200 1.000 H85 H 5.43900 4.30900 2.08300 1.000 H86 H 6.13000 3.82700 3.65000 1.000 H87 H 7.05400 3.56500 2.15100 1.000 H88 H 7.21700 1.04700 2.81400 1.000 H89 H 6.28500 1.44500 4.27700 1.000 H90 H 5.70600 0.17700 3.17100 1.000 H91 H 7.56000 0.43800 0.90800 1.000 H92 H 10.18100 -1.06400 1.65700 1.000 H93 H 6.24600 -2.17200 1.18000 1.000 H94 H 5.56400 -0.94200 -1.71400 1.000 H95 H 6.08500 -1.81400 -3.95500 1.000 H96 H 8.28400 -2.34600 2.34300 1.000 H97 H 9.34100 -4.03600 -2.33200 1.000 H98 H 7.97500 -3.36200 -4.26500 1.000 H99 H 8.58900 -4.09200 0.79600 1.000 H100 H 9.97800 -3.08600 0.28600 1.000