BCAH82 -OEChem-04022103032D 47 49 0 1 0 0 0 0 0999 V2000 5.9529 1.7229 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4897 -3.3475 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 0.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -1.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 -2.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 -4.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6806 -3.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 -2.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 1.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.8159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 0.1351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 -0.8159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 0.7229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -1.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -0.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -0.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8226 -1.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 -1.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 -1.5601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2174 2.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4204 2.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -4.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 -4.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 0.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 2.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 0.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 13 4 1 1 0 0 0 4 35 1 0 0 0 0 14 5 1 1 0 0 0 5 36 1 0 0 0 0 6 17 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 10 21 2 0 0 0 0 16 11 1 6 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 18 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 6 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 20 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 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$