BRIK86 -OEChem-04022109422D 46 49 0 1 0 0 0 0 0999 V2000 7.2641 1.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.8343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.3343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.6657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -1.9985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2347 -0.6602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0437 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2128 -0.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1309 1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 2.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1397 3.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9244 3.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4494 2.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -0.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -0.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6558 -0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 1.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7337 1.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0212 -1.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 -1.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2144 -0.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1277 0.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 21 1 0 0 0 0 5 23 2 0 0 0 0 6 18 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 1 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$