BA8WL4 -OEChem-04022105392D 43 47 0 0 0 0 0 0 0999 V2000 8.4889 -0.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.0862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 1.3791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0869 0.3791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -2.6209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0869 -2.6209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6228 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6569 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -1.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 1.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0869 1.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -1.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0869 -1.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -3.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1147 0.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 -0.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8174 -0.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9629 1.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2035 1.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 2.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6239 1.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6239 -1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -3.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 3 14 1 0 0 0 0 4 13 2 0 0 0 0 4 23 1 0 0 0 0 5 17 2 0 0 0 0 5 24 1 0 0 0 0 6 25 2 0 0 0 0 6 27 1 0 0 0 0 7 26 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 25 1 0 0 0 0 20 26 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$