TDT2MOL CCOC(=O)c1[nH]cc2c1n(c3ccccc23)S(=O)(=O)c4ccccc4 42 45 0 0 0 0 0 4.2500 4.2300 0.4400 C 0 0 0 3 0 0 3.0500 3.3800 0.7400 C 0 0 0 2 0 0 3.1500 2.2100 0.0700 O 0 0 0 0 0 0 2.0700 1.4500 0.3500 C 0 0 0 0 0 0 1.1000 1.9400 0.9700 O 0 0 0 0 0 0 2.0300 0.0100 -0.0900 C 0 0 0 0 0 0 3.0800 -0.6200 -0.8000 N 0 0 0 1 0 0 2.6900 -1.9500 -1.0300 C 0 0 0 1 0 0 1.4400 -2.1300 -0.4800 C 0 0 0 0 0 0 1.0300 -0.9100 0.1000 C 0 0 0 0 0 0 -0.2200 -1.0900 0.6500 N 0 0 0 0 0 0 -0.6000 -2.4200 0.4100 C 0 0 0 0 0 0 -1.7600 -3.1100 0.7500 C 0 0 0 1 0 0 -1.8800 -4.4600 0.3800 C 0 0 0 1 0 0 -0.8500 -5.0900 -0.3200 C 0 0 0 1 0 0 0.3200 -4.3900 -0.6600 C 0 0 0 1 0 0 0.4400 -3.0500 -0.3000 C 0 0 0 0 0 0 -1.1700 0.0500 1.4800 S 0 0 0 0 0 0 -0.3200 1.0600 2.0700 O 0 0 0 0 0 0 -1.9200 -0.6200 2.5200 O 0 0 0 0 0 0 -2.3100 0.8200 0.3200 C 0 0 0 0 0 0 -3.4700 1.4500 0.7900 C 0 0 0 1 0 0 -4.3600 2.0500 -0.1100 C 0 0 0 1 0 0 -4.0900 2.0200 -1.4900 C 0 0 0 1 0 0 -2.9300 1.3900 -1.9600 C 0 0 0 1 0 0 -2.0400 0.7900 -1.0600 C 0 0 0 1 0 0 4.1800 5.1800 0.9900 H 0 0 0 0 0 0 5.1700 3.6900 0.7400 H 0 0 0 0 0 0 4.3000 4.4300 -0.6400 H 0 0 0 0 0 0 3.0100 3.1800 1.8200 H 0 0 0 0 0 0 2.1400 3.9100 0.4300 H 0 0 0 0 0 0 3.9400 -0.2000 -1.0800 H 0 0 0 0 0 0 3.3000 -2.7000 -1.5700 H 0 0 0 0 0 0 -2.5700 -2.6100 1.3000 H 0 0 0 0 0 0 -2.7900 -5.0100 0.6400 H 0 0 0 0 0 0 -0.9500 -6.1500 -0.6100 H 0 0 0 0 0 0 1.1200 -4.8900 -1.2100 H 0 0 0 0 0 0 -3.6900 1.4700 1.8700 H 0 0 0 0 0 0 -5.2700 2.5400 0.2600 H 0 0 0 0 0 0 -4.7900 2.4900 -2.2000 H 0 0 0 0 0 0 -2.7200 1.3700 -3.0400 H 0 0 0 0 0 0 -1.1300 0.3000 -1.4300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 10 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 17 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 11 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 2 1 0 31 2 1 0 32 7 1 0 33 8 1 0 34 13 1 0 35 14 1 0 36 15 1 0 37 16 1 0 38 22 1 0 39 23 1 0 40 24 1 0 41 25 1 0 42 26 1 0 M END $$$$