B6XQ9B -OEChem-04012118252D 44 45 0 1 0 0 0 0 0999 V2000 4.5981 1.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 40 1 0 0 0 0 5 15 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 11 8 1 1 0 0 0 8 29 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$