# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JSA' 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 -4.13600 3.07800 0.27900 1.000 C1 C -3.02700 3.91400 0.06600 1.000 C2 C -3.22800 5.30500 0.10200 1.000 N3 N -3.66400 1.79300 0.19200 1.000 C4 C -5.46700 4.93600 0.52500 1.000 C5 C 13.47200 2.23100 -0.29300 1.000 C6 C 12.10600 2.22700 0.39600 1.000 C7 C 11.16300 1.27900 -0.34800 1.000 C8 C 9.79600 1.27500 0.34000 1.000 C9 C 8.85300 0.32700 -0.40300 1.000 C10 C 7.48700 0.32300 0.28500 1.000 C11 C 6.54400 -0.62500 -0.45800 1.000 C12 C 5.17700 -0.62800 0.23000 1.000 C13 C 4.23400 -1.57700 -0.51300 1.000 C14 C 2.86800 -1.58000 0.17500 1.000 C15 C 1.92500 -2.52800 -0.56800 1.000 C16 C 0.55900 -2.53200 0.12000 1.000 O17 O -0.03700 -1.23800 0.00400 1.000 N18 N -0.30700 -3.52700 -0.51800 1.000 S19 S -1.48000 -4.29300 0.36600 1.000 O20 O -2.15900 -5.15800 -0.53400 1.000 O21 O -0.85200 -4.74700 1.55700 1.000 O22 O -2.48900 -3.23400 0.78800 1.000 C23 C -3.35200 -2.80100 -0.26600 1.000 C24 C -4.31900 -1.74300 0.27000 1.000 O25 O -3.59300 -0.55700 0.63200 1.000 C26 C -5.32400 -1.34700 -0.82900 1.000 O27 O -6.66000 -1.62900 -0.41000 1.000 C28 C -5.11900 0.17700 -1.00000 1.000 O29 O -6.37200 0.84600 -1.16000 1.000 C30 C -4.45200 0.56800 0.34400 1.000 C31 C -2.32600 1.86600 -0.06300 1.000 N32 N -1.95500 3.11100 -0.13600 1.000 N33 N -5.32600 3.62800 0.50000 1.000 N34 N -4.45300 5.76200 0.33500 1.000 N35 N -2.17300 6.17800 -0.10100 1.000 H36 H -6.44700 5.35000 0.70700 1.000 H37 H 13.88700 1.22300 -0.28200 1.000 H38 H 13.35800 2.56600 -1.32400 1.000 H39 H 14.14400 2.90600 0.23700 1.000 H40 H 12.21900 1.89200 1.42600 1.000 H41 H 11.69100 3.23500 0.38500 1.000 H42 H 11.04900 1.61400 -1.37900 1.000 H43 H 11.57800 0.27100 -0.33700 1.000 H44 H 9.91000 0.94000 1.37100 1.000 H45 H 9.38100 2.28300 0.33000 1.000 H46 H 8.74000 0.66200 -1.43400 1.000 H47 H 9.26800 -0.68100 -0.39200 1.000 H48 H 7.60000 -0.01200 1.31600 1.000 H49 H 7.07200 1.33100 0.27500 1.000 H50 H 6.43000 -0.28900 -1.48900 1.000 H51 H 6.95900 -1.63200 -0.44700 1.000 H52 H 5.29100 -0.96400 1.26100 1.000 H53 H 4.76200 0.37900 0.21900 1.000 H54 H 4.12100 -1.24100 -1.54400 1.000 H55 H 4.64900 -2.58400 -0.50300 1.000 H56 H 2.98200 -1.91600 1.20600 1.000 H57 H 2.45300 -0.57200 0.16400 1.000 H58 H 1.81100 -2.19300 -1.59900 1.000 H59 H 2.34000 -3.53600 -0.55800 1.000 H60 H 0.68300 -2.78100 1.17400 1.000 H61 H -0.17800 -0.95100 -0.90900 1.000 H62 H -0.19300 -3.73800 -1.45800 1.000 H63 H -2.75600 -2.37400 -1.07200 1.000 H64 H -3.91800 -3.65200 -0.64400 1.000 H65 H -4.85000 -2.13200 1.13800 1.000 H66 H -5.09700 -1.86900 -1.75900 1.000 H67 H -7.33800 -1.34600 -1.03900 1.000 H68 H -4.45700 0.39000 -1.83900 1.000 H69 H -6.86900 0.56700 -1.94100 1.000 H70 H -5.20300 0.69000 1.12400 1.000 H71 H -1.67200 1.01600 -0.18600 1.000 H72 H -1.28300 5.83200 -0.26900 1.000 H73 H -2.32400 7.13500 -0.07300 1.000