B7DXB5 -OEChem-04012119082D 59 63 0 0 0 0 0 0 0999 V2000 4.4487 0.3027 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.1747 1.5347 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5911 0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1747 -1.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1747 1.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5911 -1.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.8027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1747 -0.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.7972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7625 0.7257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.3959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7625 2.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7135 2.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1747 -0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 -0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6747 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6747 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1747 -0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6747 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6747 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6747 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6747 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1747 1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4535 -0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7135 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3647 1.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 -1.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9847 -1.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9847 1.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4847 -0.7343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 1.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 1.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5670 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2573 0.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4847 -2.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 2.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 2.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 2.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8638 -0.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2619 -0.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0431 -0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 2.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2151 0.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 33 1 0 0 0 0 2 32 1 0 0 0 0 2 34 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 23 1 0 0 0 0 4 51 1 0 0 0 0 5 29 2 0 0 0 0 6 30 2 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 20 1 0 0 0 0 8 29 1 0 0 0 0 8 45 1 0 0 0 0 9 25 1 0 0 0 0 9 30 1 0 0 0 0 9 46 1 0 0 0 0 10 33 1 0 0 0 0 10 35 1 0 0 0 0 10 37 1 0 0 0 0 11 34 1 0 0 0 0 11 36 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 33 2 0 0 0 0 13 15 1 0 0 0 0 13 34 2 0 0 0 0 14 37 2 0 0 0 0 15 38 2 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 39 1 0 0 0 0 22 26 2 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 M END $$$$