B1OR5D -OEChem-04022107302D 57 59 0 1 0 0 0 0 0999 V2000 5.1350 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 -1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 -1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 14 2 1 6 0 0 0 2 16 1 0 0 0 0 10 3 1 6 0 0 0 3 39 1 0 0 0 0 11 4 1 6 0 0 0 4 40 1 0 0 0 0 12 5 1 1 0 0 0 5 41 1 0 0 0 0 6 15 1 0 0 0 0 6 42 1 0 0 0 0 7 27 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 57 1 0 0 0 0 9 31 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 1 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 26 1 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 46 1 0 0 0 0 23 26 2 0 0 0 0 23 47 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 29 1 0 0 0 0 26 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M END $$$$