TDT2MOL CSC(=S)N[n+]1ccccc1 20 20 0 0 0 0 0 4.4700 0.3900 -0.2900 C 0 0 0 3 0 0 3.2700 -0.9500 -0.2200 S 0 0 0 0 0 0 1.6500 -0.2700 0.2600 C 0 0 0 0 0 0 1.6100 0.9300 1.4500 S 0 0 0 0 0 0 0.4800 -0.8000 -0.3900 N 0 0 0 1 0 0 -0.8300 -0.4000 -0.1400 N 0 3 0 0 0 0 -1.8500 -1.0200 -0.8700 C 0 0 0 1 0 0 -3.1900 -0.6600 -0.6600 C 0 0 0 1 0 0 -3.5100 0.3200 0.2800 C 0 0 0 1 0 0 -2.4900 0.9400 1.0100 C 0 0 0 1 0 0 -1.1500 0.5800 0.8000 C 0 0 0 1 0 0 5.4500 -0.0100 -0.5700 H 0 0 0 0 0 0 4.5400 0.8700 0.7000 H 0 0 0 0 0 0 4.1500 1.1300 -1.0300 H 0 0 0 0 0 0 0.6200 -1.5200 -1.0900 H 0 0 0 0 0 0 -1.6000 -1.8000 -1.6100 H 0 0 0 0 0 0 -3.9900 -1.1500 -1.2300 H 0 0 0 0 0 0 -4.5600 0.6100 0.4500 H 0 0 0 0 0 0 -2.7300 1.7200 1.7500 H 0 0 0 0 0 0 -0.3700 1.0900 1.3900 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 12 1 1 0 13 1 1 0 14 1 1 0 15 5 1 0 16 7 1 0 17 8 1 0 18 9 1 0 19 10 1 0 20 11 1 0 M END $$$$