TDT2MOL CC(C)(C)N=Cc1c(CBr)c2ccccc2n1S(=O)(=O)c3ccccc3 47 49 0 0 0 0 0 4.0200 -1.2400 -1.7600 C 0 0 0 3 0 0 3.4800 -1.6500 -0.4200 C 0 0 0 0 0 0 4.4800 -1.3000 0.6500 C 0 0 0 3 0 0 3.2400 -3.1300 -0.4100 C 0 0 0 3 0 0 2.2400 -0.9500 -0.1600 N 0 0 0 0 0 0 2.2200 0.2900 -0.0300 C 0 0 0 1 0 0 0.9300 1.0000 0.2300 C 0 0 0 0 0 0 0.7700 2.3900 0.4000 C 0 0 0 0 0 0 1.8800 3.4000 0.3400 C 0 0 0 2 0 0 1.4300 4.9000 1.4200 Br 0 0 0 0 0 0 -0.5700 2.6400 0.6300 C 0 0 0 0 0 0 -1.2600 3.8300 0.8600 C 0 0 0 1 0 0 -2.6500 3.7900 1.0700 C 0 0 0 1 0 0 -3.3300 2.5700 1.0400 C 0 0 0 1 0 0 -2.6300 1.3700 0.8200 C 0 0 0 1 0 0 -1.2600 1.4200 0.6100 C 0 0 0 0 0 0 -0.3400 0.4100 0.3700 N 0 0 0 0 0 0 -0.7000 -1.2500 0.2500 S 0 0 0 0 0 0 0.1000 -1.8500 -0.7900 O 0 0 0 0 0 0 -0.4300 -1.9000 1.5200 O 0 0 0 0 0 0 -2.4500 -1.4200 -0.1600 C 0 0 0 0 0 0 -3.0000 -0.6200 -1.1700 C 0 0 0 1 0 0 -4.3600 -0.7500 -1.4900 C 0 0 0 1 0 0 -5.1600 -1.6700 -0.8100 C 0 0 0 1 0 0 -4.6000 -2.4700 0.2000 C 0 0 0 1 0 0 -3.2400 -2.3500 0.5200 C 0 0 0 1 0 0 4.9700 -1.7600 -1.9500 H 0 0 0 0 0 0 3.2900 -1.4900 -2.5400 H 0 0 0 0 0 0 4.1900 -0.1500 -1.7600 H 0 0 0 0 0 0 4.6600 -0.2100 0.6400 H 0 0 0 0 0 0 4.0900 -1.6000 1.6300 H 0 0 0 0 0 0 5.4300 -1.8200 0.4500 H 0 0 0 0 0 0 2.5100 -3.3900 -1.1900 H 0 0 0 0 0 0 4.1900 -3.6500 -0.6000 H 0 0 0 0 0 0 2.8500 -3.4300 0.5700 H 0 0 0 0 0 0 3.1500 0.8600 -0.1200 H 0 0 0 0 0 0 2.8100 2.9500 0.7000 H 0 0 0 0 0 0 2.0100 3.7300 -0.7000 H 0 0 0 0 0 0 -0.7300 4.7900 0.8800 H 0 0 0 0 0 0 -3.2000 4.7200 1.2500 H 0 0 0 0 0 0 -4.4200 2.5400 1.2100 H 0 0 0 0 0 0 -3.1700 0.4200 0.8000 H 0 0 0 0 0 0 -2.3700 0.1000 -1.7000 H 0 0 0 0 0 0 -4.8000 -0.1200 -2.2800 H 0 0 0 0 0 0 -6.2200 -1.7700 -1.0600 H 0 0 0 0 0 0 -5.2300 -3.2000 0.7400 H 0 0 0 0 0 0 -2.8100 -2.9700 1.3100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 17 1 0 7 8 2 0 8 9 1 0 9 10 1 0 8 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 2 0 18 21 1 0 21 26 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 27 1 1 0 28 1 1 0 29 1 1 0 30 3 1 0 31 3 1 0 32 3 1 0 33 4 1 0 34 4 1 0 35 4 1 0 36 6 1 0 37 9 1 0 38 9 1 0 39 12 1 0 40 13 1 0 41 14 1 0 42 15 1 0 43 22 1 0 44 23 1 0 45 24 1 0 46 25 1 0 47 26 1 0 M END $$$$