BRK80C -OEChem-04022106502D 51 53 0 1 0 0 0 0 0999 V2000 7.0448 1.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 0.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 1.8254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5800 2.7733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 4.1733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 4.0688 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 3.9642 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.8858 2.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5768 3.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 3.3643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2678 2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8369 2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5582 2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 3.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0582 3.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3891 4.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -2.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -3.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 -3.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -4.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9828 1.8008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 3.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 3.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 3.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 2.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 1.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3666 1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1246 2.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2839 4.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8691 3.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5598 3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 3.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8907 4.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0791 4.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 0.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4229 -1.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -0.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1327 -0.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 -1.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -2.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7477 -2.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -3.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7477 -3.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -4.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 10 5 1 1 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 1 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 M CHG 2 6 1 7 -1 M END $$$$