B4KR8E -OEChem-04022110142D 39 40 0 0 0 0 0 0 0999 V2000 4.0943 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 3.0960 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0347 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 4.4007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 3.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 6.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 3.9007 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1389 7.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 9.0492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7862 7.8902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 3.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 4.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 3.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 5.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5687 3.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 3.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 8.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 5.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 5.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 5.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5687 3.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 3.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5687 4.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 9.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8925 9.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 8.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9778 7.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0943 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 20 2 0 0 0 0 8 24 1 0 0 0 0 9 25 2 0 0 0 0 10 25 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 25 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 19 23 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$