TDT2MOL S=C(N[n+]1ccccc1)c2ccccc2 26 27 0 0 0 0 0 0.9700 -2.8100 1.3000 S 0 0 0 0 0 0 0.5400 -1.2300 0.5700 C 0 0 0 0 0 0 -0.8700 -1.1500 0.5300 N 0 0 0 1 0 0 -1.8900 -0.2800 0.1300 N 0 3 0 0 0 0 -3.1800 -0.8200 0.3700 C 0 0 0 1 0 0 -4.3300 -0.1000 0.0400 C 0 0 0 1 0 0 -4.2200 1.1600 -0.5500 C 0 0 0 1 0 0 -2.9500 1.6900 -0.7900 C 0 0 0 1 0 0 -1.8000 0.9700 -0.4500 C 0 0 0 1 0 0 1.7900 -0.5200 0.2400 C 0 0 0 0 0 0 2.9700 -1.2500 0.5800 C 0 0 0 1 0 0 4.2400 -0.7300 0.3400 C 0 0 0 1 0 0 4.3900 0.5400 -0.2400 C 0 0 0 1 0 0 3.2400 1.2600 -0.5800 C 0 0 0 1 0 0 1.9600 0.7300 -0.3300 C 0 0 0 1 0 0 -1.2900 -2.0100 0.9300 H 0 0 0 0 0 0 -3.2700 -1.8200 0.8300 H 0 0 0 0 0 0 -5.3200 -0.5400 0.2400 H 0 0 0 0 0 0 -5.1200 1.7300 -0.8100 H 0 0 0 0 0 0 -2.8400 2.6900 -1.2400 H 0 0 0 0 0 0 -0.8400 1.4500 -0.6700 H 0 0 0 0 0 0 2.8600 -2.2400 1.0400 H 0 0 0 0 0 0 5.1300 -1.3200 0.6100 H 0 0 0 0 0 0 5.3800 0.9500 -0.4300 H 0 0 0 0 0 0 3.3200 2.2600 -1.0400 H 0 0 0 0 0 0 1.1100 1.3700 -0.6300 H 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 16 3 1 0 17 5 1 0 18 6 1 0 19 7 1 0 20 8 1 0 21 9 1 0 22 11 1 0 23 12 1 0 24 13 1 0 25 14 1 0 26 15 1 0 M END $$$$