B9REA1 -OEChem-04022103202D 44 46 0 0 0 0 0 0 0999 V2000 4.2690 2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 2.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 3.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6087 4.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 4.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 3.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 -3.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 -3.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 5 15 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 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 22 1 0 0 0 0 21 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$