# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '98N' 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 -1.50500 -0.47100 -0.73600 1.000 C1 C -1.16300 0.87300 -0.72800 1.000 C2 C -2.42600 2.86600 0.08300 1.000 C3 C -2.11200 2.37200 1.49700 1.000 C4 C -1.35800 3.87200 -0.35400 1.000 C5 C 4.27000 -2.51900 -0.07200 1.000 C6 C 5.58200 -1.78700 0.05300 1.000 C7 C 7.37300 -0.76500 -0.97300 1.000 C8 C 7.95100 -0.46600 0.24600 1.000 C9 C 7.30900 -0.85500 1.41200 1.000 C10 C 6.10200 -1.52800 1.30800 1.000 C11 C 9.02600 2.14600 0.36600 1.000 C12 C 10.29000 3.00500 0.43000 1.000 C13 C -4.74000 1.05900 -1.33600 1.000 C14 C -5.92800 0.27200 -0.77900 1.000 C15 C -6.24700 0.76100 0.63500 1.000 N16 N 0.09700 1.24600 -0.59900 1.000 C17 C 1.07500 0.37300 -0.47500 1.000 C18 C 0.81000 -0.99700 -0.47500 1.000 C19 C -0.51600 -1.42700 -0.60900 1.000 C20 C 1.90900 -1.97600 -0.33700 1.000 C21 C -3.00300 -0.58100 -0.88800 1.000 N22 N -3.53900 0.75600 -0.54700 1.000 C23 C -2.43400 1.68000 -0.88200 1.000 O24 O 1.66600 -3.16700 -0.33800 1.000 N25 N 3.18100 -1.54800 -0.20900 1.000 N26 N 6.22200 -1.40700 -1.03400 1.000 S27 S 9.48800 0.39200 0.31800 1.000 O28 O 10.05600 -0.00800 1.55700 1.000 O29 O 10.12300 0.07800 -0.91400 1.000 C30 C -7.43500 -0.02600 1.19100 1.000 C31 C -8.65400 0.18600 0.29100 1.000 C32 C -8.33500 -0.30400 -1.12300 1.000 C33 C -7.14700 0.48400 -1.67900 1.000 C34 C -9.84200 -0.60100 0.84800 1.000 F35 F -10.13400 -0.15400 2.14100 1.000 F36 F -10.95700 -0.40800 0.02500 1.000 F37 F -9.52200 -1.96300 0.88700 1.000 H38 H -3.40300 3.34800 0.07500 1.000 H39 H -1.13500 1.89000 1.50500 1.000 H40 H -2.10700 3.21700 2.18400 1.000 H41 H -2.87300 1.65600 1.80800 1.000 H42 H -1.58100 4.22400 -1.36100 1.000 H43 H -1.35200 4.71700 0.33400 1.000 H44 H -0.38000 3.39000 -0.34600 1.000 H45 H 4.29600 -3.16200 -0.95200 1.000 H46 H 4.10600 -3.12600 0.81800 1.000 H47 H 7.86900 -0.47000 -1.88600 1.000 H48 H 7.74000 -0.63900 2.37900 1.000 H49 H 5.57400 -1.84500 2.19500 1.000 H50 H 8.41300 2.33600 1.24700 1.000 H51 H 8.46100 2.39800 -0.53100 1.000 H52 H 10.85600 2.75300 1.32800 1.000 H53 H 10.90400 2.81500 -0.45000 1.000 H54 H 10.01300 4.05800 0.46000 1.000 H55 H -4.57300 0.77800 -2.37500 1.000 H56 H -4.95300 2.12700 -1.27800 1.000 H57 H -5.67900 -0.78900 -0.74900 1.000 H58 H -5.37900 0.61000 1.27600 1.000 H59 H -6.49600 1.82200 0.60500 1.000 H60 H 2.09200 0.72100 -0.37200 1.000 H61 H -0.75900 -2.47900 -0.61300 1.000 H62 H -3.25900 -0.83800 -1.91600 1.000 H63 H -3.39700 -1.33300 -0.20400 1.000 H64 H -2.53600 2.03100 -1.90900 1.000 H65 H 3.37500 -0.59800 -0.20800 1.000 H66 H -7.18600 -1.08700 1.22200 1.000 H67 H -7.66200 0.32300 2.19900 1.000 H68 H -8.90300 1.24700 0.26100 1.000 H69 H -8.08600 -1.36400 -1.09200 1.000 H70 H -9.20400 -0.15300 -1.76400 1.000 H71 H -7.39700 1.54400 -1.70900 1.000 H72 H -6.92000 0.13500 -2.68700 1.000