TDT2MOL CCSc1c2C(=O)OC(=O)c2c(c3ccccc3)c4sccc14 35 38 0 0 0 0 0 5.7300 -0.3300 -0.6900 C 0 0 0 3 0 0 4.2500 -0.5800 -0.6800 C 0 0 0 2 0 0 3.4000 0.9000 -0.1200 S 0 0 0 0 0 0 1.6300 0.6300 -0.0600 C 0 0 0 0 0 0 0.8200 0.8500 -1.1200 C 0 0 0 0 0 0 0.9000 1.3300 -2.5500 C 0 0 0 0 0 0 1.3600 2.2100 -3.1000 O 0 0 0 0 0 0 0.0400 0.5000 -3.3100 O 0 0 0 0 0 0 -0.9700 1.0300 -2.4800 C 0 0 0 0 0 0 -1.7200 1.7300 -2.9800 O 0 0 0 0 0 0 -0.6400 0.6200 -1.0600 C 0 0 0 0 0 0 -1.2200 0.1700 0.0800 C 0 0 0 0 0 0 -2.6300 -0.0800 0.2300 C 0 0 0 0 0 0 -3.2300 0.0100 1.5000 C 0 0 0 1 0 0 -4.6000 -0.2400 1.6500 C 0 0 0 1 0 0 -5.3700 -0.5700 0.5300 C 0 0 0 1 0 0 -4.7800 -0.6600 -0.7300 C 0 0 0 1 0 0 -3.4100 -0.4100 -0.8800 C 0 0 0 1 0 0 -0.3600 -0.0500 1.1600 C 0 0 0 0 0 0 -0.6800 -0.6100 2.7400 S 0 0 0 0 0 0 0.9300 -0.5700 3.3600 C 0 0 0 1 0 0 1.7000 -0.1200 2.2900 C 0 0 0 1 0 0 1.0100 0.1600 1.1200 C 0 0 0 0 0 0 6.0600 -0.0800 0.3300 H 0 0 0 0 0 0 5.9600 0.5000 -1.3600 H 0 0 0 0 0 0 6.2500 -1.2400 -1.0300 H 0 0 0 0 0 0 4.0200 -1.4100 -0.0100 H 0 0 0 0 0 0 3.9200 -0.8300 -1.7000 H 0 0 0 0 0 0 -2.6100 0.2700 2.3700 H 0 0 0 0 0 0 -5.0600 -0.1700 2.6400 H 0 0 0 0 0 0 -6.4500 -0.7600 0.6500 H 0 0 0 0 0 0 -5.3900 -0.9200 -1.6100 H 0 0 0 0 0 0 -2.9500 -0.4800 -1.8800 H 0 0 0 0 0 0 1.2800 -0.8400 4.3600 H 0 0 0 0 0 0 2.8000 0.0200 2.3600 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 23 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 18 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 12 19 1 0 19 23 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 2 1 0 28 2 1 0 29 14 1 0 30 15 1 0 31 16 1 0 32 17 1 0 33 18 1 0 34 21 1 0 35 22 1 0 M END $$$$