TDT2MOL NC(C(=O)O)c1cc(O)no1 17 17 0 0 0 0 0 -1.5100 -1.1200 1.3400 N 0 0 0 2 0 0 -1.0900 -0.6000 0.0500 C 0 0 0 1 0 0 -1.9800 0.5400 -0.3400 C 0 0 0 0 0 0 -1.5000 1.6900 -0.4900 O 0 0 0 0 0 0 -3.3000 0.3300 -0.5200 O 0 0 0 1 0 0 0.3300 -0.1000 0.1500 C 0 0 0 0 0 0 1.3400 -0.3200 -0.7900 C 0 0 0 1 0 0 2.5000 0.3100 -0.3200 C 0 0 0 0 0 0 3.7500 0.3300 -0.9600 O 0 0 0 1 0 0 2.2000 0.9100 0.9100 N 0 0 0 0 0 0 0.8600 0.6600 1.2000 O 0 0 0 0 0 0 -0.9200 -1.8800 1.6000 H 0 0 0 0 0 0 -1.4500 -0.4000 2.0300 H 0 0 0 0 0 0 -1.1500 -1.3900 -0.7100 H 0 0 0 0 0 0 -3.6800 1.0900 -0.9600 H 0 0 0 0 0 0 1.2500 -0.8800 -1.7300 H 0 0 0 0 0 0 4.3600 0.8300 -0.4300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 2 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 12 1 1 0 13 1 1 0 14 2 1 0 15 5 1 0 16 7 1 0 17 9 1 0 M END $$$$