BU2QW8 -OEChem-04022105452D 44 46 0 0 0 0 0 0 0999 V2000 6.3301 4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -3.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 2 0 0 0 0 3 22 1 0 0 0 0 3 25 1 0 0 0 0 4 23 1 0 0 0 0 4 41 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 24 40 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$