B1QKM3 -OEChem-04022110142D 45 46 0 0 0 0 0 0 0999 V2000 4.8443 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 3.1792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1179 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 4.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 4.4839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 3.1749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 6.4871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 3.9839 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1389 7.4382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 9.1324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7862 7.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 3.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 4.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 3.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5687 3.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 4.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 3.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 5.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 3.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 3.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 8.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1513 4.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4610 4.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 5.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4861 2.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1763 2.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 5.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 2.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6887 3.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 3.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 5.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 9.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8925 9.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 8.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9778 7.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8443 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 14 2 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 20 2 0 0 0 0 8 26 1 0 0 0 0 9 27 2 0 0 0 0 10 27 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 27 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$