# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0ET' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S 10.95700 -0.93200 1.18600 1.000 C1 C 9.55600 -1.28300 0.08800 1.000 C2 C 8.49200 -2.07200 0.85400 1.000 N3 N 7.36100 -2.35500 -0.03300 1.000 C4 C 6.29900 -3.04400 0.42900 1.000 O5 O 6.27900 -3.42900 1.57900 1.000 C6 C 5.13500 -3.33500 -0.48400 1.000 C7 C 4.07100 -4.12400 0.28300 1.000 N8 N 2.94100 -4.40700 -0.60400 1.000 C9 C 1.87800 -5.09600 -0.14200 1.000 O10 O 1.89700 -5.56100 0.97700 1.000 C11 C 12.09300 -0.00800 0.11600 1.000 C12 C 0.66600 -5.28800 -1.01800 1.000 O13 O 0.98000 -4.90000 -2.35700 1.000 C14 C -0.48400 -4.42600 -0.49300 1.000 C15 C -1.66400 -4.50500 -1.46300 1.000 C16 C -0.91800 -4.93700 0.88200 1.000 C17 C -0.01900 -2.97300 -0.37300 1.000 N18 N -8.48300 7.93900 -1.10000 1.000 O19 O -7.41800 -3.74600 -0.03000 1.000 P20 P -6.75800 -2.50500 -0.81600 1.000 C21 C 13.34700 0.36900 0.90800 1.000 O22 O 12.97900 1.18000 2.02500 1.000 C23 C -8.47600 2.94300 0.32300 1.000 C24 C -8.80600 7.41200 0.06700 1.000 O25 O -7.27600 -2.46700 -2.20100 1.000 P26 P -4.14300 -3.54900 -1.74400 1.000 C27 C 14.30500 1.14800 0.00500 1.000 C28 C -9.97400 2.54900 0.36100 1.000 O29 O -10.72400 3.47000 1.15500 1.000 N30 N -8.76000 6.11700 0.29500 1.000 O31 O -5.15800 -2.67800 -0.84500 1.000 C32 C 15.61000 1.41700 0.75800 1.000 C33 C -9.92600 1.15400 1.02900 1.000 O34 O -10.21000 1.25800 2.42600 1.000 P35 P -11.43100 0.48200 3.13200 1.000 C36 C -8.37800 5.27400 -0.65900 1.000 O37 O -3.90500 -2.80900 -3.15400 1.000 C38 C 16.56800 2.19600 -0.14500 1.000 C39 C -8.47600 0.67900 0.80900 1.000 O40 O -7.80600 1.69500 0.04400 1.000 C41 C -8.02300 5.78500 -1.91900 1.000 O42 O -4.72200 -4.89000 -1.98200 1.000 C43 C 17.87300 2.46500 0.60800 1.000 C44 C -8.47300 -0.64100 0.03500 1.000 O45 O -7.13500 -1.13200 -0.06400 1.000 C46 C -8.08900 7.17500 -2.11400 1.000 N47 N -7.75200 7.73500 -3.33400 1.000 O48 O -2.73800 -3.70000 -0.97300 1.000 C49 C 18.83100 3.24400 -0.29500 1.000 N50 N -7.67800 4.72900 -2.69500 1.000 O51 O -11.53200 0.93200 4.67500 1.000 C52 C 20.13600 3.51300 0.45800 1.000 C53 C -7.79500 3.63000 -2.00800 1.000 O54 O -12.69500 0.81400 2.43800 1.000 C55 C 21.09500 4.29200 -0.44500 1.000 N56 N -8.22400 3.91400 -0.74500 1.000 O57 O -11.17500 -1.10600 3.05200 1.000 C58 C 22.39900 4.56100 0.30800 1.000 C59 C 23.35800 5.34000 -0.59500 1.000 H60 H 9.12900 -0.34500 -0.26700 1.000 H61 H 9.90100 -1.87000 -0.76400 1.000 H62 H 8.92000 -3.01000 1.20800 1.000 H63 H 8.14800 -1.48500 1.70600 1.000 H64 H 7.37700 -2.04700 -0.95300 1.000 H65 H 4.70800 -2.39700 -0.83800 1.000 H66 H 5.48000 -3.92200 -1.33500 1.000 H67 H 4.49900 -5.06200 0.63700 1.000 H68 H 3.72700 -3.53700 1.13400 1.000 H69 H 2.95700 -4.09900 -1.52400 1.000 H70 H 12.37400 -0.62700 -0.73600 1.000 H71 H 11.60200 0.89800 -0.23900 1.000 H72 H 0.37000 -6.33700 -1.00300 1.000 H73 H 1.25200 -3.97600 -2.44500 1.000 H74 H -1.35500 -4.14000 -2.44300 1.000 H75 H -1.99600 -5.54000 -1.54800 1.000 H76 H -0.10100 -4.80800 1.59200 1.000 H77 H -1.78700 -4.37300 1.22200 1.000 H78 H -1.17600 -5.99400 0.81200 1.000 H79 H 0.29100 -2.60900 -1.35300 1.000 H80 H -0.83800 -2.35900 0.00100 1.000 H81 H 0.82300 -2.91700 0.31800 1.000 H82 H -7.12300 -3.83200 0.88700 1.000 H83 H 13.83800 -0.53700 1.26300 1.000 H84 H 12.53600 2.00500 1.78300 1.000 H85 H -8.16000 3.34200 1.28700 1.000 H86 H -9.12100 8.07000 0.86400 1.000 H87 H 14.51600 0.56400 -0.89100 1.000 H88 H 13.84700 2.09600 -0.27800 1.000 H89 H -10.38400 2.48300 -0.64700 1.000 H90 H -10.70900 4.37800 0.82400 1.000 H91 H 15.39900 2.00000 1.65400 1.000 H92 H 16.06800 0.46900 1.04100 1.000 H93 H -10.62700 0.47400 0.54600 1.000 H94 H -3.52700 -1.92200 -3.07400 1.000 H95 H 16.77900 1.61200 -1.04100 1.000 H96 H -7.97900 0.54600 1.77000 1.000 H97 H 17.66200 3.04800 1.50400 1.000 H98 H -9.09000 -1.37100 0.55900 1.000 H99 H -8.87500 -0.47700 -0.96500 1.000 H100 H -7.80200 8.69600 -3.45600 1.000 H101 H -7.46600 7.16800 -4.06600 1.000 H102 H 19.04200 2.66000 -1.19100 1.000 H103 H 18.37400 4.19200 -0.57800 1.000 H104 H -12.24800 0.50200 5.16400 1.000 H105 H 19.92500 4.09600 1.35400 1.000 H106 H 20.59400 2.56500 0.74100 1.000 H107 H -7.58400 2.64000 -2.38300 1.000 H108 H 21.30600 3.70800 -1.34100 1.000 H109 H 20.63700 5.24000 -0.72800 1.000 H110 H -10.36200 -1.39600 3.48800 1.000 H111 H 22.18800 5.14400 1.20400 1.000 H112 H 22.85700 3.61300 0.59100 1.000 H113 H 23.56900 4.75600 -1.49100 1.000 H114 H 22.90000 6.28800 -0.87800 1.000 H115 H 24.28700 5.53100 -0.05800 1.000 H116 H 16.11100 3.14400 -0.42800 1.000 H117 H 18.33100 1.51700 0.89100 1.000