BU6AS5 -OEChem-04022106112D 42 45 0 0 0 0 0 0 0999 V2000 7.8403 -3.6889 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -0.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7179 -2.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7179 -3.9936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 0.2612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8893 -2.3799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 -2.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 -3.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -2.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3015 -3.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -2.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8893 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 1.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8403 -2.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 2.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5755 -1.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4111 -0.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -1.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -4.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 -2.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 -3.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 0.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6977 -4.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 2.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 3.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 1.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3419 -2.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 3.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 4.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 4.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 6 33 1 0 0 0 0 7 13 1 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 13 19 2 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$