BK9FA1 -OEChem-04012113262D 40 42 0 0 0 0 0 0 0999 V2000 2.9945 2.7172 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 2.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 3.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1646 2.6126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 1.9081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 0.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 0.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 3.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 1.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9233 4.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1952 3.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 1.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6146 1.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3485 3.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 3.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3950 0.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1231 1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -0.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -0.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 -3.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -4.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 -3.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 1.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$