# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0SR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -0.05100 -1.90300 0.06900 1.000 C1 C -0.17900 -0.69500 0.10800 1.000 N2 N 0.91000 0.10000 0.08600 1.000 C3 C 2.18400 -0.46500 0.01900 1.000 C4 C 2.47400 -1.79400 -0.03000 1.000 C5 C 3.86400 -1.92800 -0.09100 1.000 C6 C 4.62100 -3.22900 -0.15900 1.000 C7 C 4.03900 -4.21200 0.85900 1.000 C8 C 4.49800 -3.81800 -1.56500 1.000 C9 C 6.09600 -2.97700 0.16200 1.000 N10 N 4.39700 -0.73200 -0.07900 1.000 N11 N 3.36400 0.21200 -0.01600 1.000 C12 C 3.51800 1.60500 0.01000 1.000 C13 C 4.60200 2.17200 0.66700 1.000 C14 C 2.59100 2.41900 -0.62600 1.000 C15 C 2.74600 3.79200 -0.59800 1.000 C16 C 3.82300 4.35400 0.06200 1.000 C17 C 3.98900 5.85200 0.09000 1.000 C18 C 4.75100 3.54500 0.69100 1.000 N19 N -1.41000 -0.14900 0.16700 1.000 C20 C -2.59300 -1.01200 0.18500 1.000 C21 C -3.85400 -0.14700 0.25400 1.000 C22 C -5.09000 -1.04800 0.27300 1.000 N23 N -6.30000 -0.21800 0.34000 1.000 C24 C -7.49000 -1.04100 0.59800 1.000 C25 C -8.71700 -0.13300 0.71900 1.000 O26 O -8.84500 0.64700 -0.47400 1.000 C27 C -7.70400 1.46100 -0.75500 1.000 C28 C -6.46800 0.56900 -0.89100 1.000 H29 H 0.80800 1.06400 0.11600 1.000 H30 H 1.75700 -2.60200 -0.02300 1.000 H31 H 2.98800 -4.39100 0.63000 1.000 H32 H 4.58700 -5.15300 0.81000 1.000 H33 H 4.12600 -3.79200 1.86100 1.000 H34 H 4.91400 -3.11800 -2.29000 1.000 H35 H 5.04600 -4.75900 -1.61400 1.000 H36 H 3.44800 -3.99700 -1.79400 1.000 H37 H 6.18400 -2.55800 1.16400 1.000 H38 H 6.64400 -3.91900 0.11300 1.000 H39 H 6.51100 -2.27700 -0.56300 1.000 H40 H 5.32700 1.54100 1.15900 1.000 H41 H 1.75000 1.98100 -1.14100 1.000 H42 H 2.02500 4.42600 -1.09300 1.000 H43 H 3.47600 6.25800 0.96200 1.000 H44 H 5.04900 6.09800 0.14500 1.000 H45 H 3.56200 6.28200 -0.81600 1.000 H46 H 5.59400 3.98700 1.20200 1.000 H47 H -1.51200 0.81500 0.19800 1.000 H48 H -2.61700 -1.61600 -0.72200 1.000 H49 H -2.55300 -1.66600 1.05600 1.000 H50 H -3.83100 0.45700 1.16100 1.000 H51 H -3.89400 0.50700 -0.61700 1.000 H52 H -5.11300 -1.65200 -0.63400 1.000 H53 H -5.05000 -1.70200 1.14400 1.000 H54 H -7.63500 -1.74000 -0.22600 1.000 H55 H -7.35500 -1.59600 1.52600 1.000 H56 H -9.61000 -0.74300 0.85300 1.000 H57 H -8.59600 0.53000 1.57600 1.000 H58 H -7.86500 2.00400 -1.68600 1.000 H59 H -7.55400 2.17100 0.05900 1.000 H60 H -5.58600 1.19000 -1.04900 1.000 H61 H -6.59600 -0.10400 -1.73800 1.000