TDT2MOL Brc1ccoc1Br 9 9 0 0 0 0 0 -0.0400 2.7600 0.2000 Br 0 0 0 0 0 0 0.0300 0.8700 0.0500 C 0 0 0 0 0 0 -1.0300 -0.0100 0.3000 C 0 0 0 1 0 0 -0.5600 -1.3200 0.0700 C 0 0 0 1 0 0 0.7800 -1.2400 -0.3100 O 0 0 0 0 0 0 1.1500 0.1100 -0.3200 C 0 0 0 0 0 0 2.8600 0.7900 -0.7700 Br 0 0 0 0 0 0 -2.0400 0.2600 0.6100 H 0 0 0 0 0 0 -1.1500 -2.2400 0.1800 H 0 0 0 0 0 0 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 8 3 1 0 9 4 1 0 M END $$$$