DR2690 -OEChem-05042004012D 39 38 0 1 0 0 0 0 0999 V2000 8.5991 3.9050 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2331 3.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 1.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 2 1 1 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 14 5 1 6 0 0 0 5 32 1 0 0 0 0 15 6 1 1 0 0 0 6 31 1 0 0 0 0 17 7 1 6 0 0 0 7 33 1 0 0 0 0 8 19 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 16 19 1 1 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 2 1 1 10 -1 M END $$$$