# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HT' 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 -0.06500 -4.67500 -2.50600 1.000 C1 C 0.28700 -4.46600 -1.03200 1.000 N2 N 1.04900 -3.22400 -0.88300 1.000 C3 C 1.38500 -2.78200 0.34500 1.000 O4 O 1.13600 -3.45700 1.32200 1.000 C5 C 2.07100 -1.45000 0.50600 1.000 C6 C 3.58100 -1.66400 0.62200 1.000 C7 C 4.11900 -2.22700 -0.69500 1.000 C8 C 1.55500 -0.76000 1.77000 1.000 N9 N 0.10100 -0.58400 1.68200 1.000 C10 C 2.17700 0.60800 1.89500 1.000 N11 N 2.92700 1.05200 2.86200 1.000 N12 N 3.23500 2.28300 2.64100 1.000 C13 C 2.70400 2.67800 1.51300 1.000 C14 C 2.81100 4.05300 0.90500 1.000 N15 N 2.03700 1.61400 0.99600 1.000 C16 C 1.37100 1.53400 -0.22900 1.000 C17 C 1.89400 2.23500 -1.31100 1.000 C18 C 1.29300 2.16200 -2.55000 1.000 C19 C 0.15800 1.38200 -2.72500 1.000 O20 O -0.42500 1.29800 -3.95100 1.000 C21 C 0.18400 2.03800 -5.01100 1.000 C22 C -0.38000 0.69200 -1.65700 1.000 C23 C 0.21200 0.77100 -0.38800 1.000 C24 C -0.44800 0.07900 0.72400 1.000 C25 C -1.92700 0.15000 0.74800 1.000 C26 C -2.66700 -0.85000 1.37900 1.000 C27 C -4.04400 -0.77800 1.39900 1.000 C28 C -4.69300 0.28500 0.79300 1.000 Cl29 Cl -6.42700 0.36800 0.82000 1.000 C30 C -3.96400 1.28100 0.16600 1.000 C31 C -2.58600 1.22200 0.14500 1.000 H32 H 0.85100 -4.73800 -3.09300 1.000 H33 H -0.63200 -5.59900 -2.61700 1.000 H34 H -0.66600 -3.83600 -2.85800 1.000 H35 H -0.62900 -4.40300 -0.44400 1.000 H36 H 0.88800 -5.30500 -0.68000 1.000 H37 H 1.31200 -2.71900 -1.66800 1.000 H38 H 1.85800 -0.82500 -0.36200 1.000 H39 H 4.06800 -0.71200 0.83600 1.000 H40 H 3.78700 -2.36700 1.42900 1.000 H41 H 3.62100 -3.17000 -0.91800 1.000 H42 H 3.92700 -1.51600 -1.49900 1.000 H43 H 5.19300 -2.39500 -0.60700 1.000 H44 H 1.80300 -1.36000 2.64500 1.000 H45 H 3.68700 4.09600 0.25700 1.000 H46 H 1.91600 4.26200 0.31900 1.000 H47 H 2.90900 4.79500 1.69700 1.000 H48 H 2.77800 2.84100 -1.17900 1.000 H49 H 1.70500 2.71200 -3.38300 1.000 H50 H -0.37900 1.88300 -5.93100 1.000 H51 H 0.18500 3.09800 -4.76000 1.000 H52 H 1.20900 1.69600 -5.15000 1.000 H53 H -1.26200 0.08600 -1.80000 1.000 H54 H -2.16100 -1.68000 1.85100 1.000 H55 H -4.61700 -1.55300 1.88700 1.000 H56 H -4.47500 2.10800 -0.30500 1.000 H57 H -2.01800 2.00000 -0.34400 1.000