BHN9G3 -OEChem-04022105382D 50 53 0 0 0 0 0 0 0999 V2000 8.9723 1.8198 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4723 2.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4723 0.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 1.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1062 1.3198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4527 0.7852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4643 3.8545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3703 2.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -0.4256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8383 2.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5703 2.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7043 1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8383 3.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5703 3.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1927 1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0017 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7043 3.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4643 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0236 0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3129 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3703 3.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3013 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1847 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1615 -1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0448 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0333 -0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1500 -2.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1384 -3.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7043 1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3014 3.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 2.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -0.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7043 4.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7714 -0.4490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9122 0.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 1.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9061 3.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7609 -1.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1918 1.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1934 -0.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5853 0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5666 -1.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6111 -0.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1312 -3.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 4 31 2 0 0 0 0 5 10 1 0 0 0 0 5 50 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 7 40 1 0 0 0 0 8 15 1 0 0 0 0 8 24 2 0 0 0 0 9 20 2 0 0 0 0 9 24 1 0 0 0 0 10 31 1 0 0 0 0 10 48 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 39 1 0 0 0 0 22 27 2 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 44 1 0 0 0 0 27 31 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 32 33 3 0 0 0 0 33 49 1 0 0 0 0 M END $$$$