BU71OX -OEChem-04022105102D 57 56 0 1 0 0 0 0 0999 V2000 7.7331 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5772 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1753 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 45 1 0 0 0 0 2 15 2 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 24 2 0 0 0 0 6 28 1 0 0 0 0 6 57 1 0 0 0 0 7 28 2 0 0 0 0 13 8 1 6 0 0 0 8 18 1 0 0 0 0 8 31 1 0 0 0 0 9 15 1 0 0 0 0 16 9 1 1 0 0 0 9 34 1 0 0 0 0 17 10 1 1 0 0 0 10 24 1 0 0 0 0 10 41 1 0 0 0 0 11 20 1 0 0 0 0 23 11 1 6 0 0 0 11 46 1 0 0 0 0 25 12 1 6 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$