B5XOM2 -OEChem-04022110142D 44 45 0 0 0 0 0 0 0999 V2000 3.5943 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 4.8282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 7.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 3.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.4990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 4.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 6.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 4.8240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 5.6330 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4479 8.1362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 9.0872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 10.7814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7862 9.6225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 6.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 5.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 6.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 6.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 7.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 8.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 9.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 4.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 7.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 7.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 7.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1887 5.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 8.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 8.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 7.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9139 11.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8925 10.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 10.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9778 9.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 2 17 1 0 0 0 0 2 25 1 0 0 0 0 3 18 1 0 0 0 0 3 26 1 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 8 14 1 0 0 0 0 8 17 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 2 0 0 0 0 11 28 2 0 0 0 0 12 28 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 28 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 25 2 0 0 0 0 20 30 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$