TDT2MOL BrC1OC2(CCC=CC2)OC1Br 22 23 0 0 0 0 0 -2.2000 -1.7100 2.4400 Br 0 0 0 0 0 0 -1.8700 -0.2900 1.2400 C 0 0 0 1 0 0 -0.5300 -0.1600 1.0200 O 0 0 0 0 0 0 -0.3400 0.1600 -0.2800 C 0 0 0 0 0 0 0.5700 -0.8700 -0.9100 C 0 0 0 2 0 0 1.8400 -0.9800 -0.1300 C 0 0 0 2 0 0 2.4300 0.3600 0.2100 C 0 0 0 1 0 0 1.7200 1.5000 0.1000 C 0 0 0 1 0 0 0.3000 1.5100 -0.3900 C 0 0 0 2 0 0 -1.5300 0.1700 -0.9400 O 0 0 0 0 0 0 -2.4300 -0.4900 -0.1400 C 0 0 0 1 0 0 -4.1600 0.2100 -0.4100 Br 0 0 0 0 0 0 -2.2200 0.6500 1.6900 H 0 0 0 0 0 0 0.7700 -0.5700 -1.9500 H 0 0 0 0 0 0 0.0600 -1.8500 -0.9400 H 0 0 0 0 0 0 1.6700 -1.5000 0.8300 H 0 0 0 0 0 0 2.6000 -1.5600 -0.6900 H 0 0 0 0 0 0 3.4700 0.4100 0.5800 H 0 0 0 0 0 0 2.2000 2.4600 0.3800 H 0 0 0 0 0 0 -0.2800 2.2600 0.1800 H 0 0 0 0 0 0 0.3300 1.8400 -1.4500 H 0 0 0 0 0 0 -2.4100 -1.5500 -0.4400 H 0 0 0 0 0 0 1 2 1 0 2 11 1 0 2 3 1 0 3 4 1 0 4 9 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 4 10 1 0 10 11 1 0 11 12 1 0 13 2 1 0 14 5 1 0 15 5 1 0 16 6 1 0 17 6 1 0 18 7 1 0 19 8 1 0 20 9 1 0 21 9 1 0 22 11 1 0 M END $$$$