BA57RQ -OEChem-04022102052D 40 40 0 1 0 0 0 0 0999 V2000 4.2690 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 11 2 1 1 0 0 0 2 33 1 0 0 0 0 12 3 1 1 0 0 0 3 34 1 0 0 0 0 14 4 1 6 0 0 0 4 35 1 0 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 19 1 0 0 0 0 6 39 1 0 0 0 0 7 19 2 0 0 0 0 8 21 1 0 0 0 0 8 40 1 0 0 0 0 9 21 2 0 0 0 0 13 10 1 6 0 0 0 16 10 1 1 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 1 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M END $$$$