BA9X5R -OEChem-04022106302D 31 33 0 0 0 0 0 0 0999 V2000 4.5981 -1.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -3.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.2553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -3.8647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 5 22 1 0 0 0 0 5 31 1 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 8 11 2 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$