BXIF36 -OEChem-04022101092D 49 52 0 1 0 0 0 0 0999 V2000 14.5214 -2.8631 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.3583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4054 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4054 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4054 -1.3737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.9564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0423 -2.7031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5388 0.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5388 -0.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4054 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 -0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9054 -0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9054 -0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9986 -2.2873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3999 -1.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7418 -2.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 -2.4564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5000 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0205 -2.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 1.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 -0.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5658 0.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8400 1.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 1.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 -0.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8400 -1.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7154 0.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3228 -0.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0130 -1.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6085 -1.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0165 -1.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3999 -0.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2810 -3.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1062 -3.4580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0896 -2.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 1.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 1 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 30 1 0 0 0 0 5 18 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 28 3 0 0 0 0 10 29 3 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 1 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 1 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 20 26 2 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 1 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 30 1 0 0 0 0 M END $$$$