BB50HR -OEChem-04022104023D 41 45 0 0 0 0 0 0 0999 V2000 -5.6037 4.2294 0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -3.1387 -0.1655 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 -3.5495 -0.1751 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 0.2120 0.5934 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 2.0504 -0.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4575 1.1605 0.3675 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0233 2.2676 -0.2508 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 -1.3387 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4466 -0.9168 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -2.7287 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 -0.7037 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 -1.5069 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 0.4053 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 -2.0456 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -0.9149 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 -2.8847 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8307 0.7630 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 1.3324 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 0.3535 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6805 -1.6120 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1614 0.2272 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 0.9246 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 -1.0410 0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 2.0479 1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 2.6173 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0785 2.9750 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 0.8149 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 0.3771 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 -2.1771 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7163 -4.1000 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 -3.5595 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0667 0.0567 1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 1.0714 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 0.9204 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 -2.5891 1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 1.9118 -0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7572 -1.6096 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0148 2.3147 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0177 3.3351 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1529 4.3032 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4258 1.0471 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 40 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 2 30 1 0 0 0 0 3 10 1 0 0 0 0 3 16 2 0 0 0 0 4 6 1 0 0 0 0 4 27 2 0 0 0 0 5 7 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 31 1 0 0 0 0 17 24 1 0 0 0 0 17 32 1 0 0 0 0 18 25 2 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$