TDT2MOL CCSc1c2C(=O)OC(=O)c2cc3n(c4ccccc4c13)S(=O)(=O)c5ccccc5 45 49 0 0 0 0 0 3.7800 -1.2500 -2.0300 C 0 0 0 3 0 0 4.4600 -1.9500 -0.9000 C 0 0 0 2 0 0 3.2900 -2.2500 0.4400 S 0 0 0 0 0 0 2.4900 -0.7400 0.9500 C 0 0 0 0 0 0 3.0100 0.0800 1.9000 C 0 0 0 0 0 0 4.2100 0.2000 2.8200 C 0 0 0 0 0 0 5.3400 0.1300 2.7000 O 0 0 0 0 0 0 3.7200 0.6500 4.0600 O 0 0 0 0 0 0 3.3200 1.8000 3.3400 C 0 0 0 0 0 0 3.8800 2.7700 3.5600 O 0 0 0 0 0 0 2.3200 1.3300 2.3000 C 0 0 0 0 0 0 1.1400 1.6900 1.7400 C 0 0 0 1 0 0 0.6200 0.8300 0.7600 C 0 0 0 0 0 0 -0.5500 0.9400 0.0200 N 0 0 0 0 0 0 -0.6200 -0.1700 -0.8200 C 0 0 0 0 0 0 -1.5800 -0.5500 -1.7500 C 0 0 0 1 0 0 -1.4000 -1.7400 -2.4700 C 0 0 0 1 0 0 -0.2700 -2.5400 -2.2500 C 0 0 0 1 0 0 0.6900 -2.1500 -1.3000 C 0 0 0 1 0 0 0.5100 -0.9700 -0.5900 C 0 0 0 0 0 0 1.2700 -0.3500 0.3800 C 0 0 0 0 0 0 -1.7000 2.1900 0.1100 S 0 0 0 0 0 0 -1.4700 2.9800 1.3000 O 0 0 0 0 0 0 -1.5900 3.0400 -1.0600 O 0 0 0 0 0 0 -3.3500 1.4800 0.1800 C 0 0 0 0 0 0 -4.2900 1.7700 -0.8300 C 0 0 0 1 0 0 -5.5700 1.2200 -0.7700 C 0 0 0 1 0 0 -5.9200 0.3600 0.2800 C 0 0 0 1 0 0 -4.9900 0.0700 1.2800 C 0 0 0 1 0 0 -3.7000 0.6200 1.2300 C 0 0 0 1 0 0 3.4000 -0.2700 -1.6800 H 0 0 0 0 0 0 2.9400 -1.8600 -2.3900 H 0 0 0 0 0 0 4.4900 -1.0800 -2.8500 H 0 0 0 0 0 0 5.2900 -1.3300 -0.5300 H 0 0 0 0 0 0 4.8600 -2.9200 -1.2500 H 0 0 0 0 0 0 0.6100 2.6000 2.0100 H 0 0 0 0 0 0 -2.4700 0.0700 -1.9300 H 0 0 0 0 0 0 -2.1500 -2.0500 -3.2200 H 0 0 0 0 0 0 -0.1300 -3.4700 -2.8100 H 0 0 0 0 0 0 1.5800 -2.7800 -1.1300 H 0 0 0 0 0 0 -4.0100 2.4400 -1.6500 H 0 0 0 0 0 0 -6.3000 1.4500 -1.5600 H 0 0 0 0 0 0 -6.9300 -0.0700 0.3200 H 0 0 0 0 0 0 -5.2600 -0.6000 2.1100 H 0 0 0 0 0 0 -2.9700 0.3900 2.0200 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 21 1 0 4 5 2 0 5 11 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 21 2 0 13 14 1 0 14 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 14 22 1 0 22 23 2 0 22 24 2 0 22 25 1 0 25 30 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 31 1 1 0 32 1 1 0 33 1 1 0 34 2 1 0 35 2 1 0 36 12 1 0 37 16 1 0 38 17 1 0 39 18 1 0 40 19 1 0 41 26 1 0 42 27 1 0 43 28 1 0 44 29 1 0 45 30 1 0 M END $$$$