B8G0EQ -OEChem-04022105092D 42 44 0 0 0 0 0 0 0999 V2000 8.6466 2.7088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0945 4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 3.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8158 4.3180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8376 4.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 3.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -1.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -1.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -3.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -4.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 4.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 21 2 0 0 0 0 5 26 2 0 0 0 0 6 27 1 0 0 0 0 6 42 1 0 0 0 0 7 27 2 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 22 27 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$