BD80ET -OEChem-04022102382D 42 45 0 1 0 0 0 0 0999 V2000 11.8133 -0.8962 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1848 0.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0949 1.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.7024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1098 -0.9790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3013 -2.1824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6892 1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1868 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1453 2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 0.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6805 -0.0759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6891 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6805 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1848 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1188 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6805 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8736 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0837 -1.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8686 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8213 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4009 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 2.7902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 3.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 3.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5643 2.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 0.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 0.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3480 -0.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0018 2.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 -0.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7851 -0.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3678 -0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1219 1.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5151 0.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 -0.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0169 1.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0209 -0.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8447 -2.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8929 -2.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 31 1 0 0 0 0 5 12 1 0 0 0 0 5 20 2 0 0 0 0 6 20 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 6 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$