BJ52XV -OEChem-04022105322D 64 68 0 0 0 0 0 0 0999 V2000 5.5736 7.4042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8096 3.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 -3.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7607 3.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8586 3.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 -4.1278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1187 2.6490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 -4.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0383 -2.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7293 -1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -5.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3984 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -4.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 -6.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0894 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6564 -4.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 -5.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 -5.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -4.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4495 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 -7.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -6.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -5.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 -4.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -7.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 -6.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5006 4.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 4.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1698 5.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 5.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8607 6.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8218 -3.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 -2.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5858 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3476 -0.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 -1.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7801 -1.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9459 -0.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7077 0.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 0.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3060 1.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 -3.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 2.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9021 1.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1826 -7.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 -6.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3970 -5.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 -3.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 -5.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8093 -7.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 -6.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7251 2.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 4.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7762 5.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 5.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2756 6.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 32 1 0 0 0 0 3 18 2 0 0 0 0 4 21 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 24 1 0 0 0 0 8 60 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 23 2 0 0 0 0 16 20 1 0 0 0 0 16 25 2 0 0 0 0 17 22 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 2 0 0 0 0 20 27 2 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 30 1 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 M END $$$$