# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9RS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -1.37000 -0.38100 0.26900 1.000 C1 C -4.89900 0.48500 0.00800 1.000 C2 C -2.53100 1.49000 0.17400 1.000 C3 C -5.69100 1.31600 0.73200 1.000 C4 C -7.06800 1.06700 0.30900 1.000 C5 C 2.01400 -1.76000 -0.15600 1.000 C6 C 3.31900 -1.39300 -0.81300 1.000 C7 C -8.31200 1.58500 0.66500 1.000 C8 C -2.90900 2.94800 0.13700 1.000 C9 C -9.37500 0.19900 -0.84800 1.000 C10 C 1.90200 -2.94900 0.54200 1.000 C11 C -3.42700 0.40300 0.11500 1.000 C12 C -2.67300 -0.75600 0.17600 1.000 N13 N -1.31700 1.01800 0.26500 1.000 N14 N -5.67700 -0.27300 -0.83800 1.000 C15 C -0.27100 -1.24500 0.35900 1.000 C16 C 5.36700 -0.20300 -0.23900 1.000 C17 C -6.99900 0.06300 -0.68000 1.000 N18 N 6.12800 0.49100 0.63000 1.000 N19 N 4.14700 -0.63900 0.13200 1.000 O20 O -3.14500 -2.02700 0.14900 1.000 C21 C 0.93200 -0.90600 -0.24700 1.000 O22 O 5.78100 -0.43600 -1.35900 1.000 N23 N -9.40600 1.13900 0.08200 1.000 C24 C -8.18900 -0.37000 -1.25900 1.000 C25 C 7.43700 0.84700 0.28500 1.000 C26 C -0.37800 -2.43600 1.06400 1.000 C27 C 0.70700 -3.28600 1.15100 1.000 C28 C 7.97900 2.03800 0.75000 1.000 C29 C 8.19700 0.00800 -0.51800 1.000 C30 C 9.27100 2.38700 0.40800 1.000 C31 C 9.48800 0.36300 -0.85700 1.000 C32 C 10.02400 1.55100 -0.39700 1.000 H33 H -5.36600 2.02500 1.47900 1.000 H34 H 3.84400 -2.30100 -1.11100 1.000 H35 H 3.12400 -0.78100 -1.69300 1.000 H36 H -8.38000 2.35400 1.42100 1.000 H37 H -3.07500 3.30600 1.15400 1.000 H38 H -2.10400 3.52100 -0.32300 1.000 H39 H -3.82200 3.07200 -0.44500 1.000 H40 H -10.30200 -0.13100 -1.29400 1.000 H41 H 2.74900 -3.61500 0.61100 1.000 H42 H -5.34100 -0.94000 -1.45700 1.000 H43 H 5.76900 0.74300 1.49500 1.000 H44 H 3.81600 -0.45300 1.02500 1.000 H45 H 1.02200 0.02400 -0.78800 1.000 H46 H -8.18400 -1.14100 -2.01600 1.000 H47 H -1.31000 -2.69800 1.54400 1.000 H48 H 0.62300 -4.21500 1.69500 1.000 H49 H 7.39100 2.69100 1.37800 1.000 H50 H 7.78000 -0.92100 -0.87800 1.000 H51 H 9.69300 3.31300 0.76800 1.000 H52 H 10.08100 -0.29000 -1.48200 1.000 H53 H 11.03400 1.82600 -0.66300 1.000 H54 H -3.34600 -2.39100 1.02200 1.000