B89WGF -OEChem-04022100172D 32 33 0 1 0 0 0 0 0999 V2000 6.7177 2.2352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0486 1.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1747 3.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 2.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -0.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7386 0.9551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5502 1.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7841 3.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0261 3.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 7 4 1 1 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$