B1O4SC -OEChem-04022106362D 53 56 0 0 0 0 0 0 0999 V2000 5.2623 -1.0526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 3.5352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0714 3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4733 2.0352 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3393 3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -2.7081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 -1.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 2.5352 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -3.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 -0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 -2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 -3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 -2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 -3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 -4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 -2.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -2.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 -1.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 -1.4183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 -3.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -4.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -1.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 -1.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 -4.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 -3.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6684 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4743 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4743 2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 -3.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4058 -2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6914 4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 5.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0880 -5.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3580 -3.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6991 -4.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 22 1 0 0 0 0 2 29 1 0 0 0 0 3 16 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 18 1 0 0 0 0 9 19 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 30 1 0 0 0 0 27 46 1 0 0 0 0 28 31 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 32 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$