BS90DU -OEChem-04012116442D 52 54 0 1 0 0 0 0 0999 V2000 3.4030 2.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0600 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 5 1 0 0 0 0 1 12 1 0 0 0 0 4 11 2 0 0 0 0 9 5 1 6 0 0 0 5 32 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 35 1 0 0 0 0 7 30 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 30 2 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 21 1 0 0 0 0 13 33 1 0 0 0 0 14 22 2 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 2 0 0 0 0 16 37 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 29 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$