BA5UH2 -OEChem-04022102472D 40 42 0 0 0 0 0 0 0999 V2000 2.8660 2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -2.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 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 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 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 5.4641 -1.5000 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 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6434 -3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3336 -3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 -2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -2.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 7 23 1 0 0 0 0 7 25 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 10 21 1 0 0 0 0 10 22 2 0 0 0 0 11 23 2 0 0 0 0 12 21 2 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 18 2 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 22 24 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$