B51PAJ -OEChem-04012117212D 49 52 0 1 0 0 0 0 0999 V2000 2.0000 -1.0382 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6661 -1.6704 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7082 0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4402 1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3101 -1.2535 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9761 0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8422 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7082 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5742 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5742 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4402 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3101 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2162 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2162 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8422 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3063 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9761 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1723 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 -1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4697 -0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4908 -0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 -0.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4961 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0976 1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9727 -0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9727 2.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 2.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6523 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0508 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 0.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6992 -0.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 0.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8226 0.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8226 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -2.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7048 2.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9077 2.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0493 -2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8464 -2.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9761 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8623 0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7092 0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4823 1.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9289 0.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2364 0.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 22 1 0 0 0 0 2 25 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 17 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 15 2 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 20 2 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 M END $$$$