B1D2BK -OEChem-04022102142D 55 58 0 0 0 0 0 0 0999 V2000 2.8660 3.3776 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -3.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 2.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 -2.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 -1.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -0.2283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1317 -3.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9136 -3.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3103 -3.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3739 0.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6139 0.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 1.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -2.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6139 -1.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 2.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8039 3.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 3.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 17 1 0 0 0 0 2 30 1 0 0 0 0 3 22 1 0 0 0 0 3 31 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 11 1 0 0 0 0 6 19 2 0 0 0 0 7 14 2 0 0 0 0 7 19 1 0 0 0 0 8 19 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$