# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0SH' 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 -17.00600 -8.33500 -0.85400 1.000 C1 C -16.41600 -6.93800 -1.05800 1.000 C2 C -14.97000 -6.91800 -0.55800 1.000 C3 C -14.38000 -5.52100 -0.76100 1.000 C4 C -12.93400 -5.50100 -0.26100 1.000 C5 C -12.34400 -4.10400 -0.46400 1.000 C6 C -10.89800 -4.08300 0.03600 1.000 C7 C -10.30700 -2.68700 -0.16700 1.000 C8 C -8.86200 -2.66600 0.33300 1.000 C9 C -8.27100 -1.27000 0.13000 1.000 C10 C -6.82600 -1.24900 0.63100 1.000 C11 C -6.23500 0.14800 0.42700 1.000 C12 C -4.79000 0.16800 0.92800 1.000 C13 C -4.19900 1.56500 0.72400 1.000 C14 C -2.75400 1.58600 1.22500 1.000 O15 O -1.95700 0.71700 0.41700 1.000 C16 C -2.20400 3.01100 1.13700 1.000 O17 O -3.00000 3.87900 1.94400 1.000 C18 C -0.75800 3.03100 1.63700 1.000 C19 C -0.25300 4.47500 1.67900 1.000 O20 O -0.40400 5.06900 0.38800 1.000 C21 C 0.04100 6.42600 0.31700 1.000 O22 O 1.46500 6.46700 0.42100 1.000 C23 C 2.14600 5.72500 -0.59300 1.000 C24 C 3.65600 5.81700 -0.36600 1.000 O25 O 3.99300 5.17100 0.86400 1.000 C26 C 1.80000 6.30600 -1.96700 1.000 O27 O 2.25500 7.65900 -2.04200 1.000 C28 C 0.28100 6.26600 -2.16200 1.000 O29 O -0.05700 6.87400 -3.41000 1.000 C30 C -0.39000 7.03500 -1.01900 1.000 O31 O -1.81000 6.94300 -1.15100 1.000 N32 N 0.08400 2.24500 0.73200 1.000 C33 C 1.22900 1.69600 1.18300 1.000 O34 O 1.56200 1.85200 2.33900 1.000 C35 C 2.09400 0.88700 0.25200 1.000 C36 C 3.32400 0.38100 1.00900 1.000 C37 C 4.20300 -0.44000 0.06300 1.000 C38 C 5.43200 -0.94600 0.82000 1.000 C39 C 6.31200 -1.76700 -0.12600 1.000 C40 C 7.54100 -2.27300 0.63100 1.000 C41 C 8.42000 -3.09400 -0.31400 1.000 C42 C 9.64900 -3.60000 0.44300 1.000 C43 C 10.52900 -4.42000 -0.50300 1.000 C44 C 11.75800 -4.92700 0.25400 1.000 C45 C 12.63700 -5.74700 -0.69200 1.000 C46 C 13.86700 -6.25400 0.06600 1.000 C47 C 14.74600 -7.07400 -0.88000 1.000 C48 C 15.97500 -7.58100 -0.12300 1.000 C49 C 16.85400 -8.40100 -1.06900 1.000 H50 H -16.98500 -8.58700 0.20600 1.000 H51 H -18.03600 -8.35000 -1.21100 1.000 H52 H -16.41800 -9.06300 -1.41300 1.000 H53 H -16.43700 -6.68600 -2.11900 1.000 H54 H -17.00400 -6.21000 -0.50000 1.000 H55 H -14.94900 -7.17000 0.50300 1.000 H56 H -14.38200 -7.64600 -1.11600 1.000 H57 H -14.40000 -5.26900 -1.82200 1.000 H58 H -14.96800 -4.79300 -0.20300 1.000 H59 H -12.91300 -5.75300 0.80000 1.000 H60 H -12.34600 -6.22900 -0.81900 1.000 H61 H -12.36400 -3.85200 -1.52500 1.000 H62 H -12.93200 -3.37600 0.09400 1.000 H63 H -10.87700 -4.33500 1.09700 1.000 H64 H -10.31000 -4.81200 -0.52200 1.000 H65 H -10.32800 -2.43500 -1.22700 1.000 H66 H -10.89600 -1.95900 0.39100 1.000 H67 H -8.84100 -2.91800 1.39400 1.000 H68 H -8.27400 -3.39400 -0.22500 1.000 H69 H -8.29200 -1.01700 -0.93000 1.000 H70 H -8.86000 -0.54100 0.68800 1.000 H71 H -6.80500 -1.50100 1.69100 1.000 H72 H -6.23800 -1.97700 0.07200 1.000 H73 H -6.25600 0.40000 -0.63300 1.000 H74 H -6.82400 0.87600 0.98500 1.000 H75 H -4.76900 -0.08400 1.98800 1.000 H76 H -4.22000 1.81700 -0.33600 1.000 H77 H -2.72300 1.24800 2.26000 1.000 H78 H -1.93800 0.95800 -0.52000 1.000 H79 H -2.23400 3.34900 0.10100 1.000 H80 H -3.04100 3.62300 2.87600 1.000 H81 H -0.71400 2.60200 2.63800 1.000 H82 H -0.83100 5.04100 2.40900 1.000 H83 H 0.79900 4.48400 1.96300 1.000 H84 H -0.40000 6.99600 1.13500 1.000 H85 H 1.83400 4.68100 -0.55200 1.000 H86 H 4.17800 5.32700 -1.18800 1.000 H87 H 3.95400 6.86400 -0.32000 1.000 H88 H 4.93700 5.19000 1.07300 1.000 H89 H 2.28300 5.71500 -2.74500 1.000 H90 H 2.06500 8.09200 -2.88500 1.000 H91 H -0.06000 5.23100 -2.15400 1.000 H92 H -1.00500 6.88300 -3.59900 1.000 H93 H -0.08800 8.08200 -1.05800 1.000 H94 H -2.30000 7.40800 -0.45900 1.000 H95 H -0.18300 2.12100 -0.19200 1.000 H96 H 1.52600 0.03800 -0.12800 1.000 H97 H 2.41300 1.51300 -0.58200 1.000 H98 H 3.89200 1.23000 1.38800 1.000 H99 H 3.00500 -0.24400 1.84300 1.000 H100 H 3.63500 -1.28900 -0.31600 1.000 H101 H 4.52200 0.18500 -0.77100 1.000 H102 H 6.00100 -0.09700 1.19900 1.000 H103 H 5.11400 -1.57100 1.65400 1.000 H104 H 5.74300 -2.61600 -0.50500 1.000 H105 H 6.63000 -1.14100 -0.96000 1.000 H106 H 8.10900 -1.42300 1.01000 1.000 H107 H 7.22200 -2.89800 1.46500 1.000 H108 H 7.85200 -3.94300 -0.69300 1.000 H109 H 8.73900 -2.46800 -1.14800 1.000 H110 H 10.21800 -2.75000 0.82200 1.000 H111 H 9.33100 -4.22500 1.27700 1.000 H112 H 9.96000 -5.27000 -0.88200 1.000 H113 H 10.84700 -3.79500 -1.33700 1.000 H114 H 12.32600 -4.07700 0.63300 1.000 H115 H 11.43900 -5.55200 1.08800 1.000 H116 H 12.06900 -6.59700 -1.07100 1.000 H117 H 12.95600 -5.12200 -1.52600 1.000 H118 H 14.43500 -5.40400 0.44500 1.000 H119 H 13.54800 -6.87900 0.90000 1.000 H120 H 14.17700 -7.92400 -1.25900 1.000 H121 H 15.06500 -6.44900 -1.71400 1.000 H122 H 16.54400 -6.73100 0.25600 1.000 H123 H 15.65600 -8.20600 0.71100 1.000 H124 H 17.73000 -8.76200 -0.52900 1.000 H125 H 16.28600 -9.25100 -1.44800 1.000 H126 H 17.17300 -7.77600 -1.90300 1.000 H127 H -4.20100 -0.56000 0.36900 1.000 H128 H -4.78800 2.29300 1.28200 1.000