BU31SB -OEChem-04012116392D 55 55 0 1 0 0 0 0 0999 V2000 8.2700 7.4235 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 14.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 14.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8671 14.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 15.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 9.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 10.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 10.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 9.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 8.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 15.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 15.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 7.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 55 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 24 1 0 0 0 0 4 14 1 0 0 0 0 4 49 1 0 0 0 0 5 23 2 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 8 41 1 0 0 0 0 9 16 1 0 0 0 0 9 29 1 0 0 0 0 9 44 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$