B92JST -OEChem-04022105292D 51 53 0 0 0 0 0 0 0999 V2000 5.5717 -0.5998 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 2.6027 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1160 -0.4045 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6996 0.4002 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2103 3.0639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1996 -2.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1996 -0.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 1.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 0.9935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1160 1.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 2.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 0.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4378 0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4378 -0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 -0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1996 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1996 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6996 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6996 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6996 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1996 -2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6996 -3.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 2.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 0.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 2.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8252 3.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 2.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4824 0.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1639 0.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7156 0.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 2.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 -1.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7822 -0.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 0.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3073 -1.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1170 -1.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8073 -1.9424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7822 -1.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 -1.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1627 -3.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0096 -3.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2366 -2.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 17 2 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 10 19 1 0 0 0 0 10 25 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$