LIG84N -OEChem-05022321242D 43 44 0 0 0 0 0 0 0999 V2000 7.7494 5.3273 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2927 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 4.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 2.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 3.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -1.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -1.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -3.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 0.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -0.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -3.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -4.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 1.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.9127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 2.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 4.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 5 10 1 0 0 0 0 5 33 1 0 0 0 0 6 14 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$