BWAS13 -OEChem-04012112572D 78 81 0 1 0 0 0 0 0999 V2000 5.1350 8.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 6.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 8.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 7.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 7.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.4330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -8.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -8.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -8.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 1.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 1.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 3.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 2.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 4.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 4.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 6.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -5.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -6.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -5.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 8.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 8.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 9.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -7.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -8.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -9.5530 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 12 1 0 0 0 0 1 37 1 0 0 0 0 20 2 1 1 0 0 0 2 60 1 0 0 0 0 3 30 2 0 0 0 0 4 32 1 0 0 0 0 4 69 1 0 0 0 0 5 36 1 0 0 0 0 5 77 1 0 0 0 0 8 36 2 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 52 1 0 0 0 0 11 30 1 0 0 0 0 33 11 1 1 0 0 0 11 65 1 0 0 0 0 12 29 1 0 0 0 0 12 66 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 55 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 22 25 2 0 0 0 0 22 57 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 28 31 2 0 0 0 0 28 62 1 0 0 0 0 29 32 2 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 40 1 0 0 0 0 38 73 1 0 0 0 0 39 41 2 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 41 76 1 0 0 0 0 42 78 1 0 0 0 0 M END $$$$