B3KFP4 -OEChem-04022102002D 42 44 0 0 0 0 0 0 0999 V2000 6.3301 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 22 1 0 0 0 0 2 42 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 4 35 1 0 0 0 0 5 17 1 0 0 0 0 5 20 2 0 0 0 0 6 17 2 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$