TDT2MOL CS(=O)(=O)N=C(O)NC1CCCC1=O 26 26 0 0 0 0 0 -4.2300 0.8300 0.6500 C 0 0 0 3 0 0 -3.3700 -0.5000 -0.2200 S 0 0 0 0 0 0 -3.7200 -0.4500 -1.6300 O 0 0 0 0 0 0 -3.7800 -1.7700 0.3400 O 0 0 0 0 0 0 -1.6500 -0.3000 -0.0300 N 0 0 0 0 0 0 -0.8600 -0.9700 -0.7200 C 0 0 0 0 0 0 -1.3300 -1.8600 -1.6200 O 0 0 0 1 0 0 0.5700 -0.8000 -0.5600 N 0 0 0 1 0 0 1.0800 0.1500 0.4100 C 0 0 0 1 0 0 2.2900 -0.3900 1.1400 C 0 0 0 2 0 0 3.4500 -0.1200 0.1900 C 0 0 0 2 0 0 3.1900 1.2600 -0.3400 C 0 0 0 2 0 0 1.6600 1.3200 -0.3600 C 0 0 0 0 0 0 1.0000 2.1900 -0.9100 O 0 0 0 0 0 0 -5.3200 0.7000 0.5400 H 0 0 0 0 0 0 -3.9300 1.8000 0.2200 H 0 0 0 0 0 0 -3.9600 0.8100 1.7200 H 0 0 0 0 0 0 -2.1800 -2.1800 -1.3300 H 0 0 0 0 0 0 1.2100 -1.3400 -1.1100 H 0 0 0 0 0 0 0.2800 0.4900 1.0600 H 0 0 0 0 0 0 2.4600 0.1900 2.0700 H 0 0 0 0 0 0 2.2000 -1.4500 1.3900 H 0 0 0 0 0 0 3.4100 -0.8600 -0.6300 H 0 0 0 0 0 0 4.4200 -0.2100 0.7000 H 0 0 0 0 0 0 3.5800 1.4400 -1.3400 H 0 0 0 0 0 0 3.5400 2.0300 0.3600 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 15 1 1 0 16 1 1 0 17 1 1 0 18 7 1 0 19 8 1 0 20 9 1 0 21 10 1 0 22 10 1 0 23 11 1 0 24 11 1 0 25 12 1 0 26 12 1 0 M END $$$$