BR4I5C -OEChem-04022102572D 49 52 0 0 0 0 0 0 0999 V2000 9.5984 -0.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 2.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -0.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0625 -0.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0586 -1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9304 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9227 -2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7945 -0.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7906 -1.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1984 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3304 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4663 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 -0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 -0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4484 -1.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8443 -2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3308 0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5337 0.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5223 -2.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3194 -2.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4047 -0.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0088 -0.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0004 -2.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4016 -1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5987 0.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8017 0.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9301 -1.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7271 -1.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0696 0.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -1.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 1.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 1.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 1.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -1.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 21 2 0 0 0 0 4 25 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 45 1 0 0 0 0 22 24 1 0 0 0 0 23 26 2 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$