TDT2MOL CO 6 5 0 0 0 0 0 -0.3500 -0.0500 0.0100 C 0 0 0 3 0 0 0.9500 -0.4200 0.0700 O 0 0 0 1 0 0 -0.5800 0.6300 0.8400 H 0 0 0 0 0 0 -0.5500 0.4600 -0.9500 H 0 0 0 0 0 0 -0.9800 -0.9500 0.0800 H 0 0 0 0 0 0 1.5100 0.3400 -0.0500 H 0 0 0 0 0 0 1 2 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 2 1 0 M END $$$$