BJRK25 -OEChem-04012120042D 49 51 0 1 0 0 0 0 0999 V2000 11.1972 0.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 5 27 1 0 0 0 0 5 48 1 0 0 0 0 6 27 2 0 0 0 0 7 28 2 0 0 0 0 8 32 1 0 0 0 0 8 49 1 0 0 0 0 9 32 2 0 0 0 0 13 10 1 1 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 17 2 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 34 1 0 0 0 0 14 19 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 36 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 24 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 30 1 0 0 0 0 25 43 1 0 0 0 0 26 31 2 0 0 0 0 26 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 M END $$$$