B2IJ9K -OEChem-04022105022D 40 41 0 1 0 0 0 0 0999 V2000 7.1962 -3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 13 1 0 0 0 0 2 37 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 15 2 0 0 0 0 7 12 2 0 0 0 0 7 21 1 0 0 0 0 8 15 1 0 0 0 0 8 21 2 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$