# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5TW' 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 -18.54400 3.74800 1.59700 1.000 C1 C -11.22500 1.12700 1.08700 1.000 C2 C -17.40400 3.46600 0.97100 1.000 C3 C -16.21300 4.38800 1.17300 1.000 C4 C -17.20500 2.26300 0.10300 1.000 C5 C -12.25200 2.28900 1.18100 1.000 C6 C -13.59900 1.56100 1.12700 1.000 C7 C -13.28600 1.16500 -1.34400 1.000 C8 C -16.81300 2.78000 -1.28200 1.000 C9 C -13.33600 0.49400 0.03000 1.000 C10 C -14.48700 -0.49200 0.07900 1.000 C11 C -15.76100 0.27000 -0.30800 1.000 S12 S -8.74300 -1.47000 -1.72000 1.000 C13 C -9.82100 -0.93600 -0.50200 1.000 C14 C -11.96000 -1.60100 -1.56600 1.000 C15 C -11.20400 -0.46500 -0.87300 1.000 C16 C -11.95700 -0.04700 0.39100 1.000 O17 O -9.47200 -0.93700 0.66000 1.000 C18 C -18.42300 1.39100 -0.08600 1.000 C19 C -19.32400 1.37800 1.14900 1.000 C20 C -19.67600 2.81800 1.47500 1.000 O21 O -20.82300 3.17900 1.63100 1.000 C22 C -16.00500 1.46300 0.61100 1.000 C23 C -14.78200 2.39400 0.66600 1.000 C24 C -15.03800 3.53100 1.65500 1.000 C25 C -6.17900 -2.40600 -1.60300 1.000 C26 C -7.30500 -1.89000 -0.70400 1.000 N27 N -5.01500 -2.74600 -0.78100 1.000 C28 C -3.89700 -3.22400 -1.36200 1.000 O29 O -3.85400 -3.37300 -2.56400 1.000 H30 H -18.63600 4.64600 2.19000 1.000 H31 H -10.36400 1.43600 0.49500 1.000 H32 H -10.90400 0.82900 2.08600 1.000 H33 H -15.95600 4.87100 0.23000 1.000 H34 H -16.45300 5.14300 1.92100 1.000 H35 H -12.14200 2.82600 2.12400 1.000 H36 H -12.14500 2.96700 0.33500 1.000 H37 H -13.81700 1.09300 2.08700 1.000 H38 H -12.48400 1.90300 -1.36000 1.000 H39 H -13.10100 0.41100 -2.11000 1.000 H40 H -14.23800 1.65800 -1.54300 1.000 H41 H -15.93800 3.42500 -1.19500 1.000 H42 H -16.57900 1.93700 -1.93200 1.000 H43 H -17.64100 3.34700 -1.70700 1.000 H44 H -14.31100 -1.30300 -0.62700 1.000 H45 H -14.58900 -0.89400 1.08700 1.000 H46 H -15.66400 0.62500 -1.33400 1.000 H47 H -16.61300 -0.40700 -0.24700 1.000 H48 H -12.96000 -1.26000 -1.83400 1.000 H49 H -11.42400 -1.89900 -2.46600 1.000 H50 H -12.03600 -2.45200 -0.88900 1.000 H51 H -11.12800 0.38600 -1.55000 1.000 H52 H -12.04900 -0.89200 1.07300 1.000 H53 H -18.99400 1.76200 -0.93700 1.000 H54 H -18.09800 0.37200 -0.29700 1.000 H55 H -20.23300 0.81400 0.93700 1.000 H56 H -18.79500 0.92700 1.98800 1.000 H57 H -16.21300 1.10300 1.61900 1.000 H58 H -14.57700 2.80600 -0.32200 1.000 H59 H -14.14500 4.15100 1.73200 1.000 H60 H -15.27200 3.11300 2.63500 1.000 H61 H -6.51800 -3.29400 -2.13700 1.000 H62 H -5.90400 -1.63300 -2.32000 1.000 H63 H -6.96500 -1.00300 -0.17000 1.000 H64 H -7.58000 -2.66300 0.01300 1.000 H65 H -5.04900 -2.62800 0.18100 1.000 C66 C -2.69900 -3.57500 -0.51600 1.000 C67 C -1.57400 -4.09000 -1.41400 1.000 N68 N -0.41000 -4.43100 -0.59200 1.000 C69 C 0.70900 -4.90900 -1.17300 1.000 O70 O 0.78400 -4.97600 -2.38200 1.000 C71 C 1.86600 -5.36000 -0.32000 1.000 C72 C 3.04900 -4.41100 -0.52200 1.000 C73 C 3.55800 -4.52800 -1.96000 1.000 C74 C 2.60000 -2.97300 -0.25500 1.000 C75 C 4.17200 -4.78200 0.44900 1.000 O76 O 1.47700 -5.35100 1.05500 1.000 O77 O 5.27700 -3.89500 0.26000 1.000 P78 P 6.63700 -3.99500 1.11600 1.000 O79 O 6.32400 -3.67200 2.66200 1.000 O80 O 7.19400 -5.36100 1.00000 1.000 O81 O 7.70500 -2.93100 0.55200 1.000 P82 P 9.30600 -2.79000 0.65600 1.000 O83 O 9.74500 -3.15100 2.02300 1.000 O84 O 10.00200 -3.77700 -0.40900 1.000 O85 O 9.73300 -1.27000 0.33900 1.000 C86 C 11.07700 -0.80000 0.45200 1.000 C87 C 11.13200 0.68300 0.07900 1.000 C88 C 12.55200 1.23200 0.31800 1.000 C89 C 12.99300 1.76000 -1.06900 1.000 C90 C 11.63400 1.95700 -1.78800 1.000 O91 O 10.84000 0.84600 -1.31900 1.000 O92 O 12.52300 2.29500 1.27200 1.000 P93 P 13.32800 2.24400 2.66500 1.000 O94 O 12.94700 1.02400 3.41100 1.000 O95 O 14.91100 2.22100 2.37100 1.000 O96 O 12.96500 3.54500 3.54200 1.000 O97 O 13.68900 3.00100 -0.94500 1.000 N98 N 11.02300 3.23000 -1.39700 1.000 C99 C 10.06000 3.40400 -0.44900 1.000 N100 N 9.74800 4.66400 -0.35800 1.000 C101 C 10.48900 5.37700 -1.24000 1.000 C102 C 11.32100 4.46600 -1.91300 1.000 C103 C 10.58300 6.73700 -1.58100 1.000 N104 N 11.44700 7.09500 -2.52500 1.000 C105 C 12.20400 6.20100 -3.13400 1.000 N106 N 12.15600 4.91800 -2.84200 1.000 N107 N 9.79300 7.68100 -0.94900 1.000 H108 H -2.36000 -2.68700 0.01800 1.000 H109 H -2.97500 -4.34700 0.20200 1.000 H110 H -1.91300 -4.97800 -1.94900 1.000 H111 H -1.29800 -3.31800 -2.13200 1.000 H112 H -0.44400 -4.31200 0.37000 1.000 H113 H 2.15800 -6.37000 -0.60900 1.000 H114 H 2.79400 -4.16300 -2.64600 1.000 H115 H 4.46400 -3.93300 -2.07400 1.000 H116 H 3.77800 -5.57200 -2.18300 1.000 H117 H 2.23700 -2.88900 0.76900 1.000 H118 H 3.44200 -2.29600 -0.39900 1.000 H119 H 1.80000 -2.70800 -0.94700 1.000 H120 H 3.81000 -4.69900 1.47300 1.000 H121 H 4.49200 -5.80700 0.25900 1.000 H122 H 1.20400 -4.48300 1.38100 1.000 H123 H 5.95500 -2.79100 2.81300 1.000 H124 H 9.75900 -3.59800 -1.32800 1.000 H125 H 11.42200 -0.92900 1.47800 1.000 H126 H 11.71900 -1.36800 -0.22200 1.000 H127 H 10.41300 1.24200 0.67800 1.000 H128 H 13.21700 0.43500 0.65200 1.000 H129 H 13.60500 1.02300 -1.58900 1.000 H130 H 11.76100 1.90800 -2.87000 1.000 H131 H 15.23200 2.99200 1.88400 1.000 H132 H 13.41500 3.58000 4.39800 1.000 H133 H 13.98500 3.37200 -1.78700 1.000 H134 H 9.62000 2.61300 0.14100 1.000 H135 H 12.89400 6.53600 -3.89500 1.000 H136 H 9.16500 7.40700 -0.26200 1.000 H137 H 9.86700 8.61700 -1.19300 1.000