# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '904' 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 -6.47500 -0.41800 0.79500 1.000 C1 C 0.41900 1.48600 -0.03300 1.000 C2 C -0.36100 0.32600 -0.48200 1.000 C3 C -1.80800 0.46600 -0.74200 1.000 C4 C 1.88000 1.54900 0.15600 1.000 N5 N -5.00900 0.29400 1.08800 1.000 C6 C -0.06200 2.72300 0.28800 1.000 C7 C -4.08500 0.44600 0.04700 1.000 C8 C -2.72600 0.31300 0.30100 1.000 C9 C 2.16000 2.85800 0.58700 1.000 N10 N 0.96100 3.53200 0.65300 1.000 C11 C 7.43800 -1.53300 -0.13800 1.000 C12 C 2.91800 0.63700 -0.00100 1.000 N13 N 3.41200 3.21800 0.84100 1.000 N14 N 6.22500 -1.97100 -0.41200 1.000 N15 N 7.66200 -0.29800 0.26400 1.000 C16 C 8.60400 -2.47700 -0.28300 1.000 C17 C 4.21500 1.06700 0.28000 1.000 N18 N -6.18600 -2.01200 0.45300 1.000 C19 C 9.44200 -2.76100 0.96500 1.000 C20 C 10.01000 -1.88700 -0.15400 1.000 C21 C 5.36400 0.14000 0.13100 1.000 C22 C -2.26600 0.75800 -2.03200 1.000 O23 O -7.18500 -0.39400 2.02600 1.000 O24 O -6.97300 0.16600 -0.40000 1.000 O25 O 0.18400 -0.75000 -0.64000 1.000 C26 C 6.66700 0.56000 0.41000 1.000 C27 C 5.17300 -1.17800 -0.29200 1.000 C28 C 4.41700 2.38200 0.70300 1.000 C29 C -4.52700 0.73100 -1.23800 1.000 C30 C -3.62000 0.88800 -2.27000 1.000 F31 F -2.29400 0.03600 1.55100 1.000 F32 F -1.38300 0.91300 -3.04300 1.000 C33 C -5.95100 -2.43300 -0.93100 1.000 C34 C -6.16600 -3.00200 1.53300 1.000 C35 C -4.44600 -2.48000 -1.20000 1.000 H36 H -4.79100 0.60600 1.98000 1.000 H37 H -1.10200 3.01200 0.25500 1.000 H38 H 0.86300 4.45800 0.92300 1.000 H39 H 2.72700 -0.37400 -0.33100 1.000 H40 H 8.46300 -3.29300 -0.99100 1.000 H41 H 9.15000 -2.26600 1.89100 1.000 H42 H 9.85200 -3.76500 1.07800 1.000 H43 H 10.79400 -2.31500 -0.77900 1.000 H44 H 10.09100 -0.81600 0.03500 1.000 H45 H 6.85800 1.57100 0.74000 1.000 H46 H 4.18300 -1.54300 -0.51900 1.000 H47 H 5.41900 2.71900 0.92200 1.000 H48 H -5.58500 0.83500 -1.43100 1.000 H49 H -3.97200 1.11300 -3.26600 1.000 H50 H -6.37900 -3.42300 -1.08700 1.000 H51 H -6.42000 -1.72200 -1.61100 1.000 H52 H -7.16900 -3.40300 1.67700 1.000 H53 H -5.48500 -3.81100 1.27100 1.000 H54 H -5.82900 -2.52700 2.45400 1.000 H55 H -4.01700 -1.49000 -1.04400 1.000 H56 H -3.97700 -3.19100 -0.52000 1.000 H57 H -4.27100 -2.79300 -2.23000 1.000