DR1779 -OEChem-05042004172D 46 48 0 1 0 0 0 0 0999 V2000 8.0622 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7673 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2673 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 -0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 0.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 28 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 8 6 1 6 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 24 2 0 0 0 0 15 21 1 0 0 0 0 15 33 1 0 0 0 0 16 22 2 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 17 25 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$