BREC19 -OEChem-04022101252D 43 46 0 0 0 0 0 0 0999 V2000 7.6530 -0.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9207 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2994 -0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -2.9120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.1073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 -2.1073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -3.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9422 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2314 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2099 2.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5635 2.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5205 3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8742 3.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8527 3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -3.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -1.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 -4.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8456 -4.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 -3.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -2.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -3.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9216 1.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3284 0.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6239 1.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9568 2.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1272 3.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4601 4.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0453 4.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 19 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 12 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 20 38 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 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$