B68QMW -OEChem-04012118192D 39 40 0 0 0 0 0 0 0999 V2000 4.5981 2.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0600 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 5.4641 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 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 3.7320 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0600 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 4 2 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 5 17 2 0 0 0 0 6 24 1 0 0 0 0 6 39 1 0 0 0 0 7 24 2 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 31 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$