BR8UP2 -OEChem-04042106123D 42 43 0 1 0 0 0 0 0999 V2000 -0.3310 0.7509 1.4043 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7853 -0.2212 -1.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4653 1.9808 -0.5742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 2.2806 -1.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0665 0.6092 1.1047 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3377 1.4221 -0.6574 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9664 0.1934 0.0521 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5419 -0.2467 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 -1.0695 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 0.4665 0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -1.3712 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5044 -1.4994 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 0.0551 0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8403 -1.7824 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5969 0.1687 1.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1649 1.5850 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -0.6426 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 -2.7708 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8228 -1.0569 -0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 -3.1853 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -2.3283 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3783 0.6143 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 2.3862 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 3.6615 0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5541 -0.4854 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 1.3444 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 -1.9376 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5736 -2.6582 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 0.9361 2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4446 -0.8059 1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6757 0.3526 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.3493 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -3.4525 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4499 -4.1746 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -2.6576 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5714 2.8711 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4158 1.9397 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 2.5960 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 1.3369 -1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 4.1152 -0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 4.3873 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4363 3.4703 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 16 1 0 0 0 0 3 36 1 0 0 0 0 4 16 2 0 0 0 0 5 22 2 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 11 14 2 0 0 0 0 11 27 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$