BGNO80 -OEChem-04042104343D 27 29 0 0 0 0 0 0 0999 V2000 2.1345 -1.7234 0.2522 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6657 -1.3545 -0.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 3.0045 -0.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8799 1.4013 -0.0217 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -0.9378 0.0972 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 0.7230 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3405 -0.5082 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -0.5659 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 0.7575 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7646 -0.8982 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.0544 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 1.8298 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 -0.2109 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 -0.8044 -1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 0.7178 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3123 -1.4574 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9519 -0.0276 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3998 1.6607 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 -0.2417 1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 -1.9167 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 2.1263 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0251 -1.4675 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 -1.0943 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4549 0.2165 -1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 1.7966 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9275 -2.4659 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0013 0.2220 -0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 12 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 21 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$