BBVN80 -OEChem-04022109562D 21 22 0 0 0 0 0 0 0999 V2000 2.5896 1.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 2.9244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -2.6144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 2.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 0.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 0.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 -1.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -1.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7973 1.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 3.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 -2.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -2.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$