BDOE45 -OEChem-04022107012D 43 44 0 1 0 0 0 0 0999 V2000 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 8 2 1 1 0 0 0 2 33 1 0 0 0 0 9 3 1 6 0 0 0 3 34 1 0 0 0 0 11 4 1 1 0 0 0 4 35 1 0 0 0 0 5 14 1 0 0 0 0 5 36 1 0 0 0 0 6 15 2 0 0 0 0 7 21 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 10 13 1 6 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 6 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$