B8YRG4 -OEChem-04012113082D 42 44 0 0 0 0 0 0 0999 V2000 2.9782 2.2718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1874 -0.0475 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 1.9525 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 0.9525 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4554 0.9525 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 2.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 -2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 -3.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8098 -1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7233 -2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5894 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6508 -0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5894 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 -2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4429 0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 -0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3214 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3214 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -3.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 -3.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 -1.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -2.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 -3.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 -0.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 -0.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 -0.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 -2.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 0.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 1.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8584 -1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 3.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1638 3.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 19 1 0 0 0 0 1 26 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 17 22 1 0 0 0 0 17 35 1 0 0 0 0 18 23 2 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$