B3R9IY -OEChem-04042104303D 29 30 0 0 0 0 0 0 0999 V2000 -2.5655 -1.9593 -0.3471 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 2.0493 -0.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 -0.0001 0.5678 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 0.1979 0.8463 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2227 1.7719 0.2062 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 1.2173 -1.2511 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1391 -0.7147 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 -0.9247 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6529 0.5813 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 -1.8072 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 0.7849 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -1.6035 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -0.3075 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 -2.0503 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 -0.4404 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 2.1845 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 1.0208 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 1.4449 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6435 -2.8307 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -2.4544 0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 -0.2217 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -2.9004 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4052 1.7313 -0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 1.8015 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 3.2559 -0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7254 1.7341 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5905 2.3809 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0065 1.8532 -1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7218 0.7541 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 8 1 0 0 0 0 3 15 2 0 0 0 0 4 15 1 0 0 0 0 4 17 2 0 0 0 0 5 17 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 M END $$$$