TDT2MOL CCOC(=O)c1cc2c([nH]1)n(c3ccccc23)S(=O)(=O)c4ccccc4 42 45 0 0 0 0 0 4.8400 2.8300 -1.1000 C 0 0 0 3 0 0 4.6200 2.6100 0.3600 C 0 0 0 2 0 0 3.9300 1.4600 0.5500 O 0 0 0 0 0 0 2.6700 1.5800 0.0900 C 0 0 0 0 0 0 2.3000 2.6600 -0.4100 O 0 0 0 0 0 0 1.7100 0.4300 0.1600 C 0 0 0 0 0 0 1.9800 -0.8500 0.6900 C 0 0 0 1 0 0 0.8200 -1.6000 0.5700 C 0 0 0 0 0 0 -0.1600 -0.8000 -0.0300 C 0 0 0 0 0 0 0.3800 0.4400 -0.2800 N 0 0 0 1 0 0 -1.3100 -1.5500 -0.1500 N 0 0 0 0 0 0 -1.0500 -2.8200 0.3700 C 0 0 0 0 0 0 -1.8600 -3.9400 0.5000 C 0 0 0 1 0 0 -1.3300 -5.1000 1.0700 C 0 0 0 1 0 0 -0.0100 -5.1300 1.5200 C 0 0 0 1 0 0 0.8100 -3.9900 1.3900 C 0 0 0 1 0 0 0.2800 -2.8300 0.8200 C 0 0 0 0 0 0 -2.8000 -1.0400 -0.8100 S 0 0 0 0 0 0 -2.8500 -1.4100 -2.2100 O 0 0 0 0 0 0 -3.8900 -1.6800 -0.1000 O 0 0 0 0 0 0 -2.9400 0.7500 -0.6600 C 0 0 0 0 0 0 -3.4900 1.3100 0.5000 C 0 0 0 1 0 0 -3.6000 2.7000 0.6200 C 0 0 0 1 0 0 -3.1500 3.5300 -0.4200 C 0 0 0 1 0 0 -2.6000 2.9700 -1.5800 C 0 0 0 1 0 0 -2.4900 1.5800 -1.7000 C 0 0 0 1 0 0 5.4100 3.7600 -1.2500 H 0 0 0 0 0 0 3.8800 2.9100 -1.6200 H 0 0 0 0 0 0 5.4100 1.9800 -1.5200 H 0 0 0 0 0 0 5.5900 2.5300 0.8700 H 0 0 0 0 0 0 4.0700 3.4600 0.7900 H 0 0 0 0 0 0 2.9400 -1.1700 1.1200 H 0 0 0 0 0 0 -0.0700 1.2300 -0.7000 H 0 0 0 0 0 0 -2.9000 -3.9200 0.1500 H 0 0 0 0 0 0 -1.9600 -6.0000 1.1700 H 0 0 0 0 0 0 0.4000 -6.0400 1.9700 H 0 0 0 0 0 0 1.8500 -4.0200 1.7400 H 0 0 0 0 0 0 -3.8400 0.6600 1.3100 H 0 0 0 0 0 0 -4.0400 3.1400 1.5200 H 0 0 0 0 0 0 -3.2400 4.6200 -0.3300 H 0 0 0 0 0 0 -2.2500 3.6200 -2.3900 H 0 0 0 0 0 0 -2.0600 1.1300 -2.6000 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 1 0 6 7 2 0 7 8 1 0 8 17 1 0 8 9 2 0 9 10 1 0 9 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 10 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 $$$$