BRB7C5 -OEChem-04022104063D 42 45 0 0 0 0 0 0 0999 V2000 2.9131 0.0012 -1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 2.2815 0.0907 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3583 1.4983 -0.2309 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4509 -0.8895 -0.6463 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 -0.4013 0.9638 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -0.1592 0.7408 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 0.2509 -1.1223 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 0.3128 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -0.7450 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -0.6572 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 1.6186 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8198 0.2782 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1863 -1.9325 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6404 -0.8103 1.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -0.4184 -0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 2.3406 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 -0.4865 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -0.7251 1.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 -0.3331 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5791 -1.9480 -0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 -0.1677 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5723 0.0389 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6396 0.0027 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 0.1968 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 0.4179 -0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9528 0.4353 -1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -2.8709 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3253 -0.9961 2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5683 -0.2960 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4784 3.2701 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 1.9684 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0675 3.4103 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 2.2576 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0805 -0.8461 2.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 -0.1460 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0547 -2.8962 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -0.5235 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2353 -0.3143 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 -0.1701 2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 0.1759 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 0.5716 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 0.6037 -2.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 30 1 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 4 20 2 0 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 5 37 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 38 1 0 0 0 0 7 22 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$