BZB4I7 -OEChem-04022107002D 42 45 0 0 0 0 0 0 0999 V2000 4.0878 3.9528 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 5.3189 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 5.6849 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8489 -4.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 -5.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3198 -0.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 -0.1811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 -3.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 -2.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 -2.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5717 -4.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 -1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 -1.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 -1.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 -3.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4698 -4.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 -3.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3718 -4.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 -4.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3198 2.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 4.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 3.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3198 1.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1859 3.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3198 4.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1859 4.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 4.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9908 -1.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 -1.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8971 -2.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4674 -5.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9100 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 0.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9169 3.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9169 1.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 1.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7228 3.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3198 5.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7228 4.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 18 2 0 0 0 0 6 20 2 0 0 0 0 7 21 2 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 17 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 19 35 1 0 0 0 0 21 25 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 23 30 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 29 2 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M END $$$$