# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0MD' 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 6.71800 -1.68100 1.25800 1.000 C1 C 5.56400 -0.86900 0.66500 1.000 C2 C 6.06100 0.53100 0.30000 1.000 C3 C 7.10000 0.42700 -0.81900 1.000 C4 C 7.59700 1.82700 -1.18400 1.000 C5 C 6.41900 2.67800 -1.66100 1.000 C6 C 5.38000 2.78200 -0.54300 1.000 C7 C 4.88300 1.38200 -0.17700 1.000 O8 O 4.28800 0.77300 -1.32400 1.000 C9 C 3.85900 1.48400 0.92500 1.000 O10 O 4.21200 1.47500 2.08000 1.000 C11 C 2.41100 1.59600 0.58900 1.000 O12 O 1.75900 0.59500 0.37500 1.000 N13 N 1.82600 2.80800 0.52200 1.000 C14 C 2.56900 4.01900 0.89600 1.000 C15 C 2.49400 5.02100 -0.26000 1.000 C16 C 1.02700 5.27000 -0.62000 1.000 C17 C 0.38300 3.95800 -1.07400 1.000 C18 C 0.43600 2.94500 0.06800 1.000 C19 C -0.07200 1.61100 -0.41700 1.000 O20 O 0.47000 1.05800 -1.34300 1.000 O21 O -1.12800 1.03800 0.18200 1.000 C22 C -1.56300 -0.24600 -0.33700 1.000 C23 C -3.07100 -0.39800 -0.12700 1.000 C24 C -3.81000 0.64900 -0.96400 1.000 C25 C -5.29600 0.50000 -0.75600 1.000 C26 C -5.92400 1.20100 0.25600 1.000 C27 C -6.02700 -0.33400 -1.58200 1.000 C28 C -7.39000 -0.47300 -1.39600 1.000 C29 C -8.02600 0.22300 -0.38000 1.000 O30 O -9.36600 0.08700 -0.19600 1.000 C31 C -10.05700 -0.79100 -1.08700 1.000 C32 C -7.29000 1.06600 0.44700 1.000 O33 O -7.90900 1.75100 1.44600 1.000 C34 C -7.09100 2.59700 2.25600 1.000 C35 C -0.84100 -1.35200 0.38900 1.000 C36 C -0.39500 -2.45900 -0.30700 1.000 C37 C -0.62100 -1.25500 1.75000 1.000 C38 C 0.04600 -2.26600 2.41900 1.000 C39 C 0.49400 -3.37400 1.72700 1.000 C40 C 0.26900 -3.47600 0.36200 1.000 O41 O 0.70800 -4.56600 -0.32100 1.000 C42 C 1.39500 -5.56900 0.43100 1.000 C43 C 1.80400 -6.69300 -0.48700 1.000 O44 O 1.53500 -6.64000 -1.66300 1.000 O45 O 2.46700 -7.75200 0.00300 1.000 H46 H 6.36300 -2.67900 1.51900 1.000 H47 H 7.52100 -1.76100 0.52600 1.000 H48 H 7.09000 -1.18300 2.15300 1.000 H49 H 5.19200 -1.36800 -0.22900 1.000 H50 H 4.76100 -0.79000 1.39800 1.000 H51 H 6.51500 0.99500 1.17500 1.000 H52 H 7.94000 -0.18000 -0.47900 1.000 H53 H 6.64700 -0.03800 -1.69400 1.000 H54 H 8.05100 2.29200 -0.30900 1.000 H55 H 8.33800 1.75300 -1.98100 1.000 H56 H 6.77300 3.67600 -1.92100 1.000 H57 H 5.96500 2.21400 -2.53600 1.000 H58 H 5.83300 3.24700 0.33300 1.000 H59 H 4.54000 3.38800 -0.88200 1.000 H60 H 3.49100 1.22000 -1.63900 1.000 H61 H 2.12600 4.45800 1.79000 1.000 H62 H 3.61000 3.76300 1.09400 1.000 H63 H 2.95900 5.96000 0.04100 1.000 H64 H 3.01800 4.61700 -1.12600 1.000 H65 H 0.49900 5.65100 0.25400 1.000 H66 H 0.97000 6.00100 -1.42600 1.000 H67 H -0.65500 4.14100 -1.35200 1.000 H68 H 0.92600 3.56400 -1.93300 1.000 H69 H -0.18100 3.29500 0.89600 1.000 H70 H -1.33800 -0.30300 -1.40200 1.000 H71 H -3.38300 -1.39600 -0.43500 1.000 H72 H -3.30700 -0.25200 0.92800 1.000 H73 H -3.49900 1.64700 -0.65500 1.000 H74 H -3.57400 0.50300 -2.01800 1.000 H75 H -5.35100 1.85400 0.89700 1.000 H76 H -5.53300 -0.87700 -2.37400 1.000 H77 H -7.95900 -1.12500 -2.04300 1.000 H78 H -11.11700 -0.80800 -0.83100 1.000 H79 H -9.93700 -0.43800 -2.11100 1.000 H80 H -9.64600 -1.79700 -0.99800 1.000 H81 H -7.70800 3.08300 3.01200 1.000 H82 H -6.32200 2.00000 2.74400 1.000 H83 H -6.62000 3.35500 1.63000 1.000 H84 H -0.56400 -2.53200 -1.37100 1.000 H85 H -0.97000 -0.38900 2.29300 1.000 H86 H 0.22100 -2.18600 3.48100 1.000 H87 H 1.01500 -4.16300 2.25000 1.000 H88 H 2.28200 -5.13500 0.89100 1.000 H89 H 0.73500 -5.95600 1.20700 1.000 H90 H 2.70800 -8.44700 -0.62400 1.000