BGS90I -OEChem-04022118343D 42 44 0 0 0 0 0 0 0999 V2000 0.5368 -2.2258 -0.4801 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 0.4075 1.7303 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 0.9805 -1.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 -3.4260 -1.2536 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -2.7932 -0.8349 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5636 -0.9786 0.5722 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8032 -1.6379 0.1357 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -0.8976 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -0.9056 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 0.0456 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4564 -1.8478 1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 2.3692 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 1.7229 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8252 0.0388 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -1.8547 1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5354 -0.9115 0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1502 -1.9334 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8032 3.2874 1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6802 2.0553 -1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 -0.8685 0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 3.8919 0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 2.6596 -1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0945 3.5779 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3673 -2.6620 -0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5328 1.9058 -1.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -1.0360 1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8419 0.0607 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9369 -2.5871 1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 2.4781 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1331 1.3226 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4243 0.7394 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 -2.5941 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6213 -0.9177 0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 3.5431 1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 1.3403 -1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1502 4.6069 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 2.4137 -2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6227 -3.5291 -1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0481 4.0476 -0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 2.5357 -1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 1.4017 -2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8338 2.5720 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 10 1 0 0 0 0 3 25 1 0 0 0 0 4 24 2 0 0 0 0 5 17 1 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 17 2 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$