BEPM92 -OEChem-04012113403D 47 49 0 0 0 0 0 0 0999 V2000 3.5045 -3.2420 -3.3362 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 2.9909 -1.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2541 -1.3545 0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6323 -1.4627 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 -0.6639 1.2029 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 3.2791 -0.0866 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.2113 -0.3438 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2374 -0.1396 1.7007 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 1.4415 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 0.6687 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1322 2.7596 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 0.9315 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4882 1.7208 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2022 1.2011 0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 3.5268 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 3.0201 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 -1.8969 0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 2.5001 0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -1.9512 -0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 -3.0833 1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 -3.1778 -1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -4.3100 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3251 0.4614 1.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 -4.3571 -0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 1.8519 -0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1356 1.0391 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3386 -0.4538 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 0.3657 -0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -2.1843 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6511 -0.6924 1.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3243 -0.0818 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -0.7202 2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2557 4.5476 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9738 3.6973 -1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 2.9831 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 0.2519 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 -1.0382 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 -3.0623 2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -5.2283 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8677 -5.3212 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2113 0.1991 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4468 -1.0223 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2717 -2.8599 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4949 -2.8047 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5215 -1.3381 2.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6247 -0.2003 1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8759 0.0789 1.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 25 2 0 0 0 0 3 27 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 6 11 2 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 7 36 1 0 0 0 0 8 23 3 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 24 2 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 28 3 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$