TDT2MOL *C(=O)c1c[nH]cc(C(=O)*)c1=Oc1=Oc1=O 16 16 0 0 0 0 0 2.9800 1.7000 -0.3200 R 0 0 0 0 0 0 2.6600 0.4200 0.1300 C 0 0 0 0 0 0 3.5600 -0.3600 0.5200 O 0 0 0 0 0 0 1.2300 -0.0300 0.1500 C 0 0 0 0 0 0 0.9000 -1.3200 0.5900 C 0 0 0 1 0 0 -0.4300 -1.7300 0.6100 N 0 0 0 1 0 0 -1.4400 -0.8700 0.1700 C 0 0 0 1 0 0 -1.1200 0.4200 -0.2800 C 0 0 0 0 0 0 -2.1900 1.3500 -0.7500 C 0 0 0 0 0 0 -1.8900 2.5000 -1.1500 O 0 0 0 0 0 0 -3.5300 0.9400 -0.7400 R 0 0 0 0 0 0 0.2200 0.8400 -0.2900 C 0 0 0 0 0 0 0.5200 1.9800 -0.6900 O 0 0 0 0 0 0 1.6900 -2.0000 0.9400 H 0 0 0 0 0 0 -0.6700 -2.6500 0.9300 H 0 0 0 0 0 0 -2.4900 -1.2000 0.1800 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 12 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 1 0 12 13 2 0 14 5 1 0 15 6 1 0 16 7 1 0 M END $$$$