BU63VJ -OEChem-04012117592D 44 47 0 0 0 0 0 0 0999 V2000 2.9505 2.8728 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 -4.2336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7476 2.3386 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0156 2.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 3.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -0.9293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 -1.7340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8835 1.8352 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9040 -3.6955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 3.8233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 -2.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 -2.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 -2.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 -0.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -2.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7814 -0.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7895 0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -3.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 1.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6069 -3.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4039 -3.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0835 -2.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 -2.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4489 0.6113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3148 -1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3276 0.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 -0.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 0.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 1.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 2.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7114 -4.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 -3.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 3.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 4.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 11 1 0 0 0 0 1 27 1 0 0 0 0 2 24 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 8 18 2 0 0 0 0 9 22 1 0 0 0 0 10 24 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 24 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 25 28 1 0 0 0 0 25 37 1 0 0 0 0 26 29 2 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 39 1 0 0 0 0 29 40 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$