D0U1OO -OEChem-03141904462D 42 44 0 1 0 0 0 0 0999 V2000 8.7903 -1.7195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2362 0.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8712 -0.4403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 0.3049 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7903 0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3815 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1919 1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5721 -0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 -1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5721 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2031 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4661 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4661 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3721 -0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8377 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5796 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3721 -1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 -0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 0.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5213 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8968 -0.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8968 -0.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7364 1.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9944 1.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2109 -1.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 -2.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4589 1.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4589 -2.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 -0.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 2.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9079 -1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -0.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 2.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7963 -0.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6423 -0.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4121 0.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 42 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$