TDT2MOL COC(=O)c1cc(C)c[nH]1 19 19 0 0 0 0 0 -3.6500 0.4100 -0.3100 C 0 0 0 3 0 0 -2.3700 0.1200 -0.6600 O 0 0 0 0 0 0 -1.6900 -0.2800 0.4300 C 0 0 0 0 0 0 -2.3200 -0.6500 1.4500 O 0 0 0 0 0 0 -0.1900 -0.2700 0.4400 C 0 0 0 0 0 0 0.6200 0.1200 -0.6300 C 0 0 0 1 0 0 1.9600 -0.0100 -0.2300 C 0 0 0 0 0 0 3.1700 0.3000 -1.0700 C 0 0 0 3 0 0 1.9700 -0.4800 1.0900 C 0 0 0 1 0 0 0.6400 -0.6400 1.5000 N 0 0 0 1 0 0 -4.1200 -0.4900 0.1100 H 0 0 0 0 0 0 -3.6500 1.2200 0.4300 H 0 0 0 0 0 0 -4.2000 0.7300 -1.2100 H 0 0 0 0 0 0 0.2800 0.4700 -1.6200 H 0 0 0 0 0 0 3.7500 -0.6200 -1.2300 H 0 0 0 0 0 0 3.7900 1.0400 -0.5500 H 0 0 0 0 0 0 2.8500 0.7000 -2.0400 H 0 0 0 0 0 0 2.8600 -0.7000 1.7000 H 0 0 0 0 0 0 0.3300 -0.9600 2.4000 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 10 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 11 1 1 0 12 1 1 0 13 1 1 0 14 6 1 0 15 8 1 0 16 8 1 0 17 8 1 0 18 9 1 0 19 10 1 0 M END $$$$