BRKH45 -OEChem-04022109102D 43 46 0 1 0 0 0 0 0999 V2000 2.4608 -2.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 4.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -0.2906 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6718 2.7441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 1.1886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 4.2094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -1.8294 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4118 -1.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -2.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 -3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -4.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 -4.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6718 0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -4.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 3.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -2.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0183 -1.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7928 -0.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 -1.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2872 -1.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0308 -0.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 -3.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8148 -3.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 0.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 2.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 -4.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8148 -4.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 0.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -5.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1136 2.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 4.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 3.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 32 1 0 0 0 0 2 24 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 17 1 0 0 0 0 4 25 2 0 0 0 0 5 22 2 0 0 0 0 5 25 1 0 0 0 0 6 24 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 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 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 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 14 19 1 0 0 0 0 14 33 1 0 0 0 0 15 20 2 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$