BN4S1D -OEChem-04022105372D 42 42 0 1 0 0 0 0 0999 V2000 5.4641 0.3450 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.9641 1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 1.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -3.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 35 1 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 5 22 1 0 0 0 0 5 38 1 0 0 0 0 6 23 1 0 0 0 0 6 39 1 0 0 0 0 7 22 2 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 17 11 1 1 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 21 23 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 2 8 -1 12 1 M END $$$$