BARV37 -OEChem-04022100402D 60 64 0 0 0 0 0 0 0999 V2000 8.8590 2.3016 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.0901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4426 -3.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 -1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 1.4969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 0.6921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.4969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.9969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 -0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 -0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4426 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9426 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9426 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4426 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4426 -3.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3226 0.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9677 0.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9677 -0.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5252 0.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 1.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -1.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0503 -1.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9176 -0.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9176 0.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -2.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5503 -2.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7526 2.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 -3.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 -0.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2526 -0.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0626 -1.9672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4426 -4.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0626 -3.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4426 -3.0793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 4.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 30 1 0 0 0 0 2 33 1 0 0 0 0 3 21 1 0 0 0 0 3 28 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 45 1 0 0 0 0 6 16 2 0 0 0 0 6 20 1 0 0 0 0 7 26 1 0 0 0 0 7 29 2 0 0 0 0 8 29 1 0 0 0 0 8 56 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 21 1 0 0 0 0 17 46 1 0 0 0 0 18 22 2 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 M END $$$$