# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J1H' 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 -9.58900 -0.03700 -1.93400 1.000 C1 C -9.78100 -1.38900 -2.13200 1.000 C2 C -10.45800 -2.14000 -1.18700 1.000 Cl3 Cl -10.69600 -3.84100 -1.44200 1.000 C4 C -10.94600 -1.54000 -0.03900 1.000 C5 C -10.76000 -0.18900 0.16800 1.000 C6 C -10.07400 0.57100 -0.77800 1.000 C7 C -9.87000 2.02400 -0.56000 1.000 C8 C -10.32100 2.94300 -1.50500 1.000 C9 C -10.12800 4.29400 -1.29700 1.000 C10 C -9.49000 4.73600 -0.15300 1.000 C11 C -9.04100 3.82800 0.78900 1.000 C12 C -9.23300 2.47600 0.59500 1.000 C13 C -8.74400 1.48800 1.62200 1.000 N14 N -7.48800 0.88200 1.15900 1.000 C15 C -7.10400 -0.25100 2.01300 1.000 C16 C -5.83800 -0.90300 1.45200 1.000 C17 C -6.41200 1.88000 1.09800 1.000 C18 C -5.14600 1.22900 0.53800 1.000 N19 N -4.76200 0.09600 1.39100 1.000 C20 C -3.57400 -0.47800 0.95300 1.000 C21 C -2.91900 0.04400 -0.15900 1.000 C22 C -1.74300 -0.52200 -0.59500 1.000 C23 C -3.03800 -1.57000 1.63100 1.000 C24 C -1.86200 -2.13900 1.20100 1.000 C25 C -1.20500 -1.62200 0.08000 1.000 C26 C 0.05500 -2.23100 -0.38500 1.000 O27 O 0.62800 -1.77600 -1.35700 1.000 N28 N 0.57200 -3.29100 0.26700 1.000 S29 S 1.98700 -3.97400 -0.25500 1.000 O30 O 2.28000 -5.03100 0.64900 1.000 O31 O 1.84800 -4.16600 -1.65600 1.000 C32 C 3.25700 -2.77200 -0.04100 1.000 C33 C 3.96200 -2.71600 1.14700 1.000 C34 C 4.95800 -1.77500 1.31800 1.000 N35 N 5.71200 -1.71600 2.59000 1.000 O36 O 6.04500 -0.63900 3.05200 1.000 O37 O 5.99900 -2.74500 3.17600 1.000 C38 C 3.55200 -1.89000 -1.06500 1.000 C39 C 4.54700 -0.94700 -0.90100 1.000 C40 C 5.25300 -0.88400 0.29400 1.000 N41 N 6.26000 0.06900 0.46300 1.000 C42 C 6.45900 1.11100 -0.54700 1.000 C43 C 7.90600 1.60500 -0.49200 1.000 C44 C 8.84900 0.46800 -0.89200 1.000 N45 N 10.23800 0.94200 -0.83900 1.000 C46 C 10.40700 2.06800 -1.76700 1.000 C47 C 10.55300 1.38200 0.52700 1.000 C48 C 11.14300 -0.14900 -1.22300 1.000 C49 C 12.56800 0.34000 -1.17800 1.000 O50 O 13.56800 -0.46800 -1.56300 1.000 O51 O 12.81000 1.46000 -0.79400 1.000 C52 C 5.51100 2.27900 -0.26900 1.000 S53 S 3.79500 1.69300 -0.33500 1.000 C54 C 2.86500 3.15100 0.00400 1.000 C55 C 3.51800 4.35700 0.23100 1.000 C56 C 2.78700 5.49700 0.49600 1.000 C57 C 1.40500 5.44100 0.53700 1.000 C58 C 0.75200 4.24300 0.31200 1.000 C59 C 1.47700 3.09900 0.04000 1.000 H60 H -9.06000 0.54800 -2.67200 1.000 H61 H -9.40100 -1.86200 -3.02600 1.000 H62 H -11.47400 -2.13000 0.69500 1.000 H63 H -11.13800 0.27800 1.06600 1.000 H64 H -10.81800 2.59900 -2.40000 1.000 H65 H -10.47700 5.00700 -2.03000 1.000 H66 H -9.34200 5.79400 0.00600 1.000 H67 H -8.54700 4.17900 1.68400 1.000 H68 H -8.57200 2.00200 2.56800 1.000 H69 H -9.49300 0.70900 1.76300 1.000 H70 H -6.91200 0.10500 3.02500 1.000 H71 H -7.91200 -0.98200 2.03200 1.000 H72 H -5.53500 -1.72500 2.10000 1.000 H73 H -6.03800 -1.28400 0.45100 1.000 H74 H -6.71500 2.70300 0.45000 1.000 H75 H -6.21200 2.26100 2.10000 1.000 H76 H -5.33800 0.87200 -0.47500 1.000 H77 H -4.33800 1.96000 0.51900 1.000 H78 H -3.33500 0.89300 -0.68100 1.000 H79 H -1.23600 -0.11700 -1.45900 1.000 H80 H -3.54600 -1.97000 2.49600 1.000 H81 H -1.44700 -2.98600 1.72700 1.000 H82 H 0.11600 -3.65300 1.04200 1.000 H83 H 3.73200 -3.40900 1.94300 1.000 H84 H 3.00300 -1.93900 -1.99400 1.000 H85 H 4.77600 -0.25800 -1.70100 1.000 H86 H 6.82700 0.04000 1.24900 1.000 H87 H 6.25200 0.70300 -1.53600 1.000 H88 H 8.03100 2.44100 -1.18000 1.000 H89 H 8.14000 1.93100 0.52200 1.000 H90 H 8.72300 -0.36700 -0.20300 1.000 H91 H 8.61500 0.14200 -1.90500 1.000 H92 H 9.80300 2.91100 -1.43000 1.000 H93 H 11.45600 2.36200 -1.79500 1.000 H94 H 10.08700 1.76800 -2.76500 1.000 H95 H 10.55200 0.52100 1.19600 1.000 H96 H 11.53800 1.85000 0.54000 1.000 H97 H 9.80500 2.10100 0.85900 1.000 H98 H 11.02300 -0.98200 -0.53000 1.000 H99 H 10.90500 -0.48000 -2.23400 1.000 H100 H 14.46500 -0.11000 -1.51600 1.000 H101 H 5.71800 2.68700 0.72000 1.000 H102 H 5.65900 3.05500 -1.02000 1.000 H103 H 4.59700 4.40200 0.20000 1.000 H104 H 3.29300 6.43500 0.67300 1.000 H105 H 0.83600 6.33400 0.74500 1.000 H106 H -0.32700 4.20200 0.34500 1.000 H107 H 0.96600 2.16500 -0.14000 1.000