LALR42 -OEChem-05022323412D 46 48 0 1 0 0 0 0 0999 V2000 8.0345 5.2071 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 1.7071 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7044 -1.2929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -2.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -2.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -3.8317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -4.6407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -3.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1685 3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 5.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1685 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2413 1.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 0.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 0.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 0.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 0.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 -1.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -0.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 -0.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 -1.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 1.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 2.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1484 2.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 1.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 3.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9598 3.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 2.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8995 5.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5688 -4.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 3.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 5.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -5.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 4 18 2 0 0 0 0 5 6 1 0 0 0 0 5 15 2 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 18 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$