# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2N7' 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 -2.65100 -1.30400 0.14000 1.000 C1 C -2.40600 -2.68100 0.12800 1.000 C2 C -1.13600 -3.19200 0.11000 1.000 C3 C -1.61100 -0.36400 0.11800 1.000 C4 C -0.32200 -0.87400 0.09200 1.000 C5 C -0.08300 -2.26300 0.10000 1.000 C6 C 1.30900 -2.41900 0.10400 1.000 C7 C 1.88700 -1.17800 -0.00800 1.000 N8 N 0.90800 -0.22600 0.05200 1.000 C9 C 0.91600 1.23000 0.09400 1.000 C10 C 1.98400 -3.75500 0.28000 1.000 C11 C 1.55200 -4.69700 -0.84600 1.000 C12 C 2.23700 -6.05300 -0.66800 1.000 C13 C 1.83600 -6.65400 0.68100 1.000 C14 C 2.26700 -5.71200 1.80700 1.000 C15 C 1.58200 -4.35600 1.62900 1.000 C16 C 4.07800 0.06800 0.27800 1.000 C17 C 3.34300 -1.01900 -0.20000 1.000 C18 C 4.00600 -1.97800 -0.98300 1.000 C19 C 5.36800 -1.94500 -1.16600 1.000 C20 C 6.10700 -0.91100 -0.60800 1.000 C21 C 5.45900 0.08500 0.09500 1.000 O22 O 7.45700 -0.87800 -0.74700 1.000 C23 C 8.05900 -1.94300 -1.48400 1.000 C24 C 2.24200 1.90600 0.38300 1.000 C25 C 3.47100 1.21600 0.92400 1.000 C26 C 2.57800 1.76700 1.90800 1.000 C27 C 2.43300 3.26000 -0.25000 1.000 N28 N 1.65700 4.29600 0.12700 1.000 O29 O 3.28600 3.41900 -1.09700 1.000 C30 C 1.61300 5.66900 -0.43500 1.000 C31 C 0.28300 5.80000 -1.19600 1.000 N32 N -0.82800 5.66500 -0.24400 1.000 C33 C -0.73800 4.41100 0.51700 1.000 C34 C 0.63200 4.33800 1.20000 1.000 C35 C 1.53200 6.58200 0.81200 1.000 C36 C 0.87900 5.69600 1.90100 1.000 C37 C -2.12300 5.77400 -0.92700 1.000 C38 C -4.04600 -0.82600 0.18400 1.000 O39 O -4.28000 0.36700 0.19400 1.000 N40 N -5.06200 -1.71300 0.21100 1.000 S41 S -6.62800 -1.17600 0.25900 1.000 N42 N -6.91800 -0.38000 -1.16300 1.000 O43 O -7.44900 -2.33600 0.24500 1.000 O44 O -6.68400 -0.19600 1.28600 1.000 C45 C -7.43400 -1.11500 -2.32100 1.000 C46 C -6.65800 1.05800 -1.26500 1.000 H47 H -3.24200 -3.36300 0.12900 1.000 H48 H -0.95600 -4.25600 0.09700 1.000 H49 H -1.80400 0.69700 0.12100 1.000 H50 H 0.54500 1.60200 -0.86300 1.000 H51 H 0.20600 1.54500 0.86400 1.000 H52 H 3.06500 -3.62300 0.24900 1.000 H53 H 0.47100 -4.82900 -0.81500 1.000 H54 H 1.83800 -4.26900 -1.80700 1.000 H55 H 1.93000 -6.72400 -1.47000 1.000 H56 H 3.31900 -5.92100 -0.69900 1.000 H57 H 0.75400 -6.78600 0.71200 1.000 H58 H 2.32400 -7.62000 0.80800 1.000 H59 H 1.98100 -6.14000 2.76800 1.000 H60 H 3.34900 -5.58000 1.77600 1.000 H61 H 1.88900 -3.68500 2.43100 1.000 H62 H 0.50100 -4.48900 1.66000 1.000 H63 H 3.44700 -2.73800 -1.50900 1.000 H64 H 5.85700 -2.71800 -1.74200 1.000 H65 H 6.03700 0.89300 0.51900 1.000 H66 H 9.13900 -1.79600 -1.52000 1.000 H67 H 7.83900 -2.89300 -0.99700 1.000 H68 H 7.66000 -1.95400 -2.49900 1.000 H69 H 4.29300 1.92700 0.97200 1.000 H70 H 2.90700 2.66400 2.43600 1.000 H71 H 1.98800 1.06600 2.49800 1.000 H72 H 2.47400 5.88700 -1.06600 1.000 H73 H 0.23400 6.77700 -1.67800 1.000 H74 H 0.21600 5.01600 -1.95000 1.000 H75 H -1.52500 4.38500 1.27200 1.000 H76 H -0.85200 3.56400 -0.16000 1.000 H77 H 0.70700 3.49000 1.88000 1.000 H78 H 2.53000 6.89300 1.12000 1.000 H79 H 0.90800 7.45200 0.60600 1.000 H80 H -0.06500 6.13100 2.22800 1.000 H81 H 1.55400 5.56900 2.74700 1.000 H82 H -2.20700 4.98700 -1.67600 1.000 H83 H -2.92800 5.67000 -0.19900 1.000 H84 H -2.19700 6.74700 -1.41300 1.000 H85 H -4.87500 -2.66400 0.20200 1.000 H86 H -8.52400 -1.10100 -2.30300 1.000 H87 H -7.08000 -0.64300 -3.23800 1.000 H88 H -7.08300 -2.14600 -2.28400 1.000 H89 H -6.28000 1.42600 -0.31100 1.000 H90 H -5.91700 1.23900 -2.04300 1.000 H91 H -7.58200 1.57700 -1.51500 1.000