BMR2K9 -OEChem-04042103043D 44 48 0 0 0 0 0 0 0999 V2000 -1.1269 -2.2714 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7043 1.6075 0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 -2.7290 0.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.5590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 -2.4963 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 -0.0557 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 0.7625 1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2245 0.7662 -1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6325 1.3518 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 1.3540 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9009 2.1674 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 0.3880 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -1.9732 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 -0.2477 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1343 -1.7080 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.5145 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 -0.0788 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2908 -1.4747 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4298 0.6752 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6678 -0.0265 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 -2.1565 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6849 -1.4294 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 2.0909 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8823 0.6797 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7098 2.7768 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9039 2.0716 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 -0.8854 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1031 0.1232 2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 1.5914 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5237 1.5957 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 0.1294 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7697 1.9839 2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3672 0.5403 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3672 0.5421 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7713 1.9874 -2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9396 2.5167 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2631 3.0599 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7941 1.5940 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5303 -3.2419 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6284 -1.9720 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 2.6955 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8316 0.1468 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7192 3.8630 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8515 2.6017 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 13 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$