# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'RN3' 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 10.13200 -4.87400 -1.69100 1.000 C1 C 7.94400 -4.06300 -2.63400 1.000 O2 O 10.83600 -1.29500 4.14800 1.000 C3 C 9.17200 -3.98800 -1.76300 1.000 C4 C 12.83800 2.79200 -0.67600 1.000 C5 C 12.13700 3.43700 -1.68200 1.000 C6 C 11.01500 2.84700 -2.23900 1.000 C7 C 10.59000 1.61200 -1.79500 1.000 C8 C 9.38300 -0.61700 -0.28500 1.000 C9 C 8.78900 -1.82900 -0.60500 1.000 C10 C 7.16400 -0.01700 -0.07600 1.000 C11 C 6.00300 0.83600 0.18500 1.000 C12 C 3.59500 1.19200 0.31300 1.000 C13 C 2.31200 0.38900 0.09000 1.000 C14 C 10.68600 -3.33600 -0.34500 1.000 C15 C 1.09900 1.28000 0.36400 1.000 C16 C -0.18400 0.47800 0.14000 1.000 C17 C -1.39700 1.36900 0.41400 1.000 C18 C -2.68100 0.56600 0.19100 1.000 C19 C -3.89400 1.45700 0.46400 1.000 C20 C -5.17700 0.65500 0.24100 1.000 C21 C -7.58400 1.01100 0.36900 1.000 C22 C -8.77900 1.88900 0.63800 1.000 C23 C -11.15200 1.78600 0.63100 1.000 C24 C -11.15700 3.12400 1.02400 1.000 C25 C 11.44400 -2.50500 0.65800 1.000 C26 C -12.34900 3.78600 1.23000 1.000 C27 C -13.56000 3.13200 1.05000 1.000 C28 C -13.57500 1.80400 0.66000 1.000 C29 C -14.64400 0.82200 0.38200 1.000 C30 C -14.81300 -1.55900 -0.31600 1.000 C31 C -15.68900 -1.98300 0.86700 1.000 C32 C -16.53700 -3.18600 0.44000 1.000 C33 C -17.32100 -2.82500 -0.79400 1.000 C34 C -15.69100 -1.28700 -1.50900 1.000 C35 C -12.35900 1.12200 0.44200 1.000 C36 C 10.58600 -2.30600 1.90900 1.000 C37 C -12.73000 -0.24800 0.04500 1.000 C38 C 8.44600 0.37300 0.02500 1.000 C39 C 8.84300 1.76600 0.44000 1.000 C40 C 11.38900 -1.58100 2.95800 1.000 C41 C 11.66800 -0.59500 5.11000 1.000 C42 C 10.84100 -0.36900 -0.30200 1.000 C43 C 11.29300 0.95800 -0.78200 1.000 C44 C 12.42200 1.55700 -0.22500 1.000 N45 N 11.02700 -4.48700 -0.84900 1.000 N46 N 11.75700 -1.20300 0.06500 1.000 N47 N 4.75700 0.33800 0.05200 1.000 N48 N -6.33900 1.50800 0.50300 1.000 N49 N -14.07200 -0.34500 0.03400 1.000 N50 N -16.86000 -1.92400 -1.67300 1.000 N51 N 9.49500 -2.99100 -0.90400 1.000 O52 O 12.53000 -1.25700 2.72900 1.000 O53 O -9.97700 1.13900 0.43000 1.000 O54 O -15.33500 -0.47500 -2.33600 1.000 O55 O -18.39000 -3.36000 -0.99600 1.000 O56 O -15.83800 1.03300 0.45600 1.000 O57 O -11.95400 -1.14100 -0.22900 1.000 O58 O -7.74300 -0.14300 0.03200 1.000 O59 O 6.16200 1.99400 0.52400 1.000 S60 S 7.08700 -1.70000 -0.56900 1.000 Cl61 Cl 12.66700 4.99100 -2.24500 1.000 H62 H 7.14400 -4.56600 -2.09100 1.000 H63 H 7.62500 -3.05500 -2.89800 1.000 H64 H 8.17400 -4.62100 -3.54100 1.000 H65 H 13.71500 3.25500 -0.24800 1.000 H66 H 10.47200 3.35400 -3.02200 1.000 H67 H 9.71500 1.15200 -2.22900 1.000 H68 H 3.61200 2.04600 -0.36400 1.000 H69 H 3.62900 1.54500 1.34400 1.000 H70 H 2.27900 0.03600 -0.94100 1.000 H71 H 2.29600 -0.46500 0.76700 1.000 H72 H 1.13200 1.63300 1.39500 1.000 H73 H 1.11600 2.13500 -0.31300 1.000 H74 H -0.21700 0.12500 -0.89000 1.000 H75 H -0.20100 -0.37700 0.81700 1.000 H76 H -1.36400 1.72200 1.44500 1.000 H77 H -1.38100 2.22300 -0.26300 1.000 H78 H -2.71400 0.21300 -0.84000 1.000 H79 H -2.69700 -0.28800 0.86800 1.000 H80 H -3.86100 1.81000 1.49500 1.000 H81 H -3.87700 2.31200 -0.21300 1.000 H82 H -5.21000 0.30200 -0.79000 1.000 H83 H -5.19400 -0.19900 0.91800 1.000 H84 H -8.74600 2.24100 1.66900 1.000 H85 H -8.76200 2.74300 -0.03900 1.000 H86 H -10.22200 3.64500 1.16800 1.000 H87 H 12.36900 -3.01400 0.92800 1.000 H88 H -12.34000 4.82300 1.53500 1.000 H89 H -14.48900 3.65900 1.21400 1.000 H90 H -14.11200 -2.35900 -0.55500 1.000 H91 H -15.05700 -2.26200 1.71000 1.000 H92 H -16.34000 -1.15700 1.15600 1.000 H93 H -15.88500 -4.03200 0.22300 1.000 H94 H -17.22400 -3.45200 1.24400 1.000 H95 H 9.70400 -1.71800 1.65500 1.000 H96 H 10.27600 -3.27700 2.29500 1.000 H97 H 8.82600 2.42300 -0.42900 1.000 H98 H 8.14100 2.13600 1.18800 1.000 H99 H 9.84700 1.74700 0.86300 1.000 H100 H 11.10100 -0.42700 6.02600 1.000 H101 H 12.54900 -1.19600 5.33300 1.000 H102 H 11.97700 0.36300 4.69300 1.000 H103 H 12.97200 1.05300 0.55600 1.000 H104 H 4.63000 -0.58500 -0.21800 1.000 H105 H -6.21100 2.43100 0.77200 1.000 H106 H -17.39200 -1.72600 -2.46000 1.000