# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9MW' 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 -7.05300 -4.61900 1.42200 1.000 C1 C -7.01400 -3.38200 1.85100 1.000 C2 C -6.21600 -3.03600 3.08200 1.000 C3 C -5.18900 -1.98900 2.73600 1.000 C4 C -5.46600 -0.65100 2.95000 1.000 C5 C -4.52400 0.30900 2.63200 1.000 C6 C -3.96700 -2.36600 2.21100 1.000 C7 C -3.02400 -1.40600 1.89400 1.000 C8 C -3.30400 -0.06800 2.10100 1.000 C9 C -2.27700 0.97900 1.75600 1.000 C10 C -3.72300 1.87100 -0.05000 1.000 O11 O -3.88900 3.07200 -0.07400 1.000 N12 N -4.75500 1.04200 -0.30400 1.000 C13 C -6.07800 1.59300 -0.60900 1.000 C14 C -6.16300 1.91800 -2.10200 1.000 C15 C -5.08800 2.94600 -2.46200 1.000 C16 C -5.94100 0.64200 -2.91600 1.000 C17 C -7.13700 0.58100 -0.25500 1.000 O18 O -6.81800 -0.49400 0.20700 1.000 N19 N -8.43800 0.87000 -0.45100 1.000 C20 C -9.46800 -0.11400 -0.10700 1.000 C21 C -10.82900 0.45200 -0.42100 1.000 C22 C -11.64700 -0.20500 -1.20500 1.000 O23 O -2.15500 0.11300 -0.49700 1.000 C24 C -1.28700 2.33200 -0.09600 1.000 C25 C 0.09700 1.73400 0.16200 1.000 C26 C 1.17000 2.78300 -0.13700 1.000 N27 N 2.50100 2.18200 0.02600 1.000 N28 N 2.72100 1.21800 -0.91600 1.000 C29 C 2.90800 -0.06200 -0.53900 1.000 C30 C -2.36200 1.30500 0.26400 1.000 O31 O 2.79700 -0.37300 0.62800 1.000 C32 C 3.25300 -1.10800 -1.56800 1.000 C33 C 2.00400 -1.45700 -2.37900 1.000 C34 C 1.43900 -0.18700 -3.01700 1.000 C35 C 2.37200 -2.45800 -3.47700 1.000 C36 C 0.95300 -2.07700 -1.45700 1.000 N37 N 3.75000 -2.31100 -0.89400 1.000 C38 C 4.78100 -3.00000 -1.42000 1.000 O39 O 5.29900 -2.62500 -2.45300 1.000 O40 O 5.23700 -4.10600 -0.80000 1.000 C41 C 6.35100 -4.79800 -1.42400 1.000 C42 C 3.55100 3.20900 -0.01700 1.000 C43 C 4.88600 2.57400 0.27500 1.000 C44 C 5.65300 2.07600 -0.76300 1.000 C45 C 6.87700 1.49300 -0.50200 1.000 C46 C 5.34300 2.49800 1.57800 1.000 C47 C 6.56500 1.91800 1.85100 1.000 C48 C 7.33900 1.40800 0.81000 1.000 C49 C 8.65400 0.78300 1.09700 1.000 C50 C 9.44400 0.26700 0.06600 1.000 C51 C 10.66000 -0.30600 0.37700 1.000 N52 N 11.07800 -0.37000 1.62700 1.000 C53 C 10.36400 0.10500 2.62900 1.000 C54 C 9.13900 0.69900 2.40500 1.000 H55 H 9.10700 0.31500 -0.95900 1.000 H56 H 11.27700 -0.70800 -0.41300 1.000 H57 H 10.74500 0.03100 3.63700 1.000 H58 H 8.55900 1.08600 3.23000 1.000 H59 H 6.92100 1.85900 2.86900 1.000 H60 H 7.47500 1.10400 -1.31200 1.000 H61 H 4.74200 2.89300 2.38400 1.000 H62 H 5.29400 2.14200 -1.77900 1.000 H63 H 3.57400 3.66500 -1.00700 1.000 H64 H 3.34100 3.97400 0.73100 1.000 H65 H 2.74300 1.45500 -1.85700 1.000 H66 H 1.05500 3.13900 -1.16000 1.000 H67 H 1.06300 3.62000 0.55400 1.000 H68 H 4.02300 -0.72100 -2.23500 1.000 H69 H 3.33600 -2.61000 -0.06900 1.000 H70 H 2.17900 0.24200 -3.69200 1.000 H71 H 0.53600 -0.43200 -3.57700 1.000 H72 H 1.19700 0.53500 -2.23700 1.000 H73 H 2.77500 -3.36300 -3.02300 1.000 H74 H 1.48200 -2.70700 -4.05500 1.000 H75 H 3.12100 -2.01700 -4.13400 1.000 H76 H 0.69000 -1.36400 -0.67500 1.000 H77 H 0.06300 -2.32500 -2.03500 1.000 H78 H 1.35600 -2.98200 -1.00200 1.000 H79 H 6.61900 -5.66800 -0.82400 1.000 H80 H 6.06400 -5.12100 -2.42400 1.000 H81 H 7.20600 -4.12500 -1.49000 1.000 H82 H 0.17100 1.42600 1.20500 1.000 H83 H 0.24500 0.86900 -0.48400 1.000 H84 H -1.41700 3.22400 0.51700 1.000 H85 H -1.37700 2.59900 -1.14900 1.000 H86 H -2.46900 1.88200 2.33600 1.000 H87 H -1.28100 0.60200 1.99000 1.000 H88 H -2.19500 0.24500 -1.45400 1.000 H89 H -2.07000 -1.70000 1.48400 1.000 H90 H -4.74000 1.35400 2.79900 1.000 H91 H -3.74900 -3.41100 2.04800 1.000 H92 H -6.41900 -0.35700 3.36400 1.000 H93 H -6.88400 -2.64900 3.85100 1.000 H94 H -5.71400 -3.92900 3.45200 1.000 H95 H -7.55400 -2.61000 1.32200 1.000 H96 H -7.62500 -4.86700 0.54000 1.000 H97 H -6.51000 -5.39000 1.94800 1.000 H98 H -4.62200 0.08200 -0.28500 1.000 H99 H -6.23600 2.50200 -0.02900 1.000 H100 H -7.14700 2.32800 -2.32900 1.000 H101 H -5.24600 3.85500 -1.88200 1.000 H102 H -4.10400 2.53600 -2.23500 1.000 H103 H -5.14800 3.17800 -3.52500 1.000 H104 H -6.70700 -0.09000 -2.65900 1.000 H105 H -6.00200 0.87400 -3.97900 1.000 H106 H -4.95700 0.23300 -2.68900 1.000 H107 H -8.69400 1.73000 -0.82100 1.000 H108 H -9.31000 -1.02300 -0.68700 1.000 H109 H -9.40700 -0.34600 0.95600 1.000 H110 H -11.13000 1.40000 0.00100 1.000 H111 H -11.34600 -1.15300 -1.62600 1.000 H112 H -12.62200 0.20000 -1.43000 1.000