TDT2MOL CCSc1c2C(=O)N(C(=O)c2cc3n(c4ccccc4c13)S(=O)(=O)c5ccccc5)c6ccccc6 56 61 0 0 0 0 0 -2.1400 -3.0100 2.0800 C 0 0 0 3 0 0 -1.1300 -3.7200 1.2200 C 0 0 0 2 0 0 -1.2900 -3.1500 -0.4800 S 0 0 0 0 0 0 -0.8300 -1.4300 -0.6300 C 0 0 0 0 0 0 -1.7400 -0.4200 -0.4700 C 0 0 0 0 0 0 -3.2200 -0.4700 -0.1700 C 0 0 0 0 0 0 -3.9000 -1.4600 0.0000 O 0 0 0 0 0 0 -3.7100 0.9300 -0.1100 N 0 0 0 0 0 0 -2.5600 1.8400 -0.3700 C 0 0 0 0 0 0 -2.6200 3.0500 -0.3900 O 0 0 0 0 0 0 -1.3500 0.9600 -0.5900 C 0 0 0 0 0 0 -0.0500 1.3100 -0.8700 C 0 0 0 1 0 0 0.8700 0.2700 -1.0200 C 0 0 0 0 0 0 2.2400 0.3200 -1.3100 N 0 0 0 0 0 0 2.7000 -1.0000 -1.3600 C 0 0 0 0 0 0 3.9600 -1.5200 -1.6100 C 0 0 0 1 0 0 4.1500 -2.9100 -1.6100 C 0 0 0 1 0 0 3.0700 -3.7600 -1.3600 C 0 0 0 1 0 0 1.7900 -3.2300 -1.1100 C 0 0 0 1 0 0 1.6100 -1.8500 -1.1100 C 0 0 0 0 0 0 0.4900 -1.0700 -0.9100 C 0 0 0 0 0 0 3.1600 1.7300 -1.5400 S 0 0 0 0 0 0 3.8300 1.6600 -2.8200 O 0 0 0 0 0 0 2.2900 2.8900 -1.5000 O 0 0 0 0 0 0 4.3900 1.8600 -0.2300 C 0 0 0 0 0 0 5.2500 2.9700 -0.1900 C 0 0 0 1 0 0 6.2100 3.0700 0.8300 C 0 0 0 1 0 0 6.3100 2.0700 1.8000 C 0 0 0 1 0 0 5.4500 0.9700 1.7600 C 0 0 0 1 0 0 4.4900 0.8600 0.7400 C 0 0 0 1 0 0 -5.0000 1.3200 0.1400 C 0 0 0 0 0 0 -5.4300 1.5800 1.4500 C 0 0 0 1 0 0 -6.7500 1.9800 1.6900 C 0 0 0 1 0 0 -7.6500 2.1200 0.6300 C 0 0 0 1 0 0 -7.2300 1.8600 -0.6800 C 0 0 0 1 0 0 -5.9100 1.4600 -0.9200 C 0 0 0 1 0 0 -1.9500 -1.9300 2.0400 H 0 0 0 0 0 0 -2.0400 -3.3600 3.1200 H 0 0 0 0 0 0 -3.1500 -3.2300 1.7100 H 0 0 0 0 0 0 -1.3200 -4.8100 1.2600 H 0 0 0 0 0 0 -0.1200 -3.5200 1.5900 H 0 0 0 0 0 0 0.2700 2.3600 -0.9600 H 0 0 0 0 0 0 4.8200 -0.8500 -1.8000 H 0 0 0 0 0 0 5.1500 -3.3300 -1.8000 H 0 0 0 0 0 0 3.2100 -4.8500 -1.3600 H 0 0 0 0 0 0 0.9400 -3.9100 -0.9200 H 0 0 0 0 0 0 5.1700 3.7500 -0.9600 H 0 0 0 0 0 0 6.8800 3.9400 0.8600 H 0 0 0 0 0 0 7.0600 2.1500 2.6000 H 0 0 0 0 0 0 5.5200 0.1800 2.5300 H 0 0 0 0 0 0 3.8100 0.0000 0.7100 H 0 0 0 0 0 0 -4.7300 1.4700 2.2800 H 0 0 0 0 0 0 -7.0800 2.1800 2.7200 H 0 0 0 0 0 0 -8.6900 2.4300 0.8300 H 0 0 0 0 0 0 -7.9300 1.9700 -1.5200 H 0 0 0 0 0 0 -5.5800 1.2600 -1.9500 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 8 31 1 0 31 36 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 37 1 1 0 38 1 1 0 39 1 1 0 40 2 1 0 41 2 1 0 42 12 1 0 43 16 1 0 44 17 1 0 45 18 1 0 46 19 1 0 47 26 1 0 48 27 1 0 49 28 1 0 50 29 1 0 51 30 1 0 52 32 1 0 53 33 1 0 54 34 1 0 55 35 1 0 56 36 1 0 M END $$$$