B3BYK5 -OEChem-04012117592D 40 42 0 0 0 0 0 0 0999 V2000 10.9654 0.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2844 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.0891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 1.4709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.2844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7844 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5867 2.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8974 3.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -1.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5877 3.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9944 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9050 1.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6073 2.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2006 2.7465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 3.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0900 4.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3081 3.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 31 1 0 0 0 0 6 11 2 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$