BB86PJ -OEChem-04022101092D 45 48 0 1 0 0 0 0 0999 V2000 12.6373 -2.5876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4054 1.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4054 1.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4054 -0.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7382 1.3713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5388 1.2216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5388 2.2216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4054 1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 0.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9054 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9054 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3999 -0.1150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9986 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7418 -1.5931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5000 2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0690 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 0.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5658 1.1227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8400 0.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8400 3.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 2.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7154 2.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3228 0.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0130 0.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 3.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1777 0.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4617 -0.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6342 -1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 -1.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1975 -0.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 -1.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 3.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 0.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 0 2 16 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 34 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 15 2 0 0 0 0 6 23 1 0 0 0 0 7 25 3 0 0 0 0 8 26 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 1 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 1 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 17 22 2 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 6 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 M END $$$$