BR94NY -OEChem-04012116052D 51 52 0 1 0 0 0 0 0999 V2000 3.8955 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 7.8781 10.0328 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 4.8955 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3435 8.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 8.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 10.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 9.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 9.6245 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7753 11.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 7.0105 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0812 5.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.2057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.2057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 7.9610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8055 8.7710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3947 9.5790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3452 9.2684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1552 9.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 6.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 4.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 4.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 3.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 4.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6596 3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0168 4.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3274 3.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 7.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 8.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 10.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 8.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 10.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 10.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 6.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 9.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 10.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7781 4.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3713 3.8308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 5.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 2.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4308 5.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9341 3.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 17 5 1 6 0 0 0 5 40 1 0 0 0 0 18 6 1 6 0 0 0 6 41 1 0 0 0 0 7 20 1 0 0 0 0 8 25 2 0 0 0 0 16 11 1 1 0 0 0 11 21 1 0 0 0 0 11 22 2 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 21 1 0 0 0 0 13 27 2 0 0 0 0 14 25 1 0 0 0 0 14 27 1 0 0 0 0 14 44 1 0 0 0 0 15 27 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 1 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 28 30 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 30 32 2 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 M CHG 5 1 -1 2 1 3 1 9 -1 11 1 M END $$$$