B1IR3H -OEChem-04012120012D 44 47 0 0 0 0 0 0 0999 V2000 2.0000 -0.3776 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 2.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 1.2025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 1.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.1824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4368 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0582 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4153 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7045 1.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0591 2.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4658 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9105 0.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6681 -0.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5845 2.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8269 2.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 0.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0291 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8939 -0.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3152 2.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1186 1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -0.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 1.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 0.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -2.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 22 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$