DR1037 -OEChem-05042004152D 38 38 0 1 0 0 0 0 0999 V2000 5.0289 2.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 4.3965 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5202 -1.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 3.4830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2199 3.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8379 2.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.8087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.3965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 0.9514 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2601 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -4.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 2.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 1.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 1.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 1.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 0.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -0.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -1.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -1.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7776 0.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 0.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -2.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -2.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -4.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -4.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -5.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 3 12 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$