B97ANC -OEChem-04022100422D 41 43 0 0 0 0 0 0 0999 V2000 8.1962 -2.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 1.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 -0.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 0.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1957 1.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8051 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4934 0.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8839 1.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0443 3.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6538 2.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -2.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4394 2.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6566 3.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8071 3.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1938 -2.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 1.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 39 1 0 0 0 0 2 13 2 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 4 40 1 0 0 0 0 5 23 1 0 0 0 0 5 41 1 0 0 0 0 6 23 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 18 2 0 0 0 0 11 17 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 19 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$