TDT2MOL CC(=C)C=O 11 10 0 0 0 0 0 0.9400 -0.9100 0.2900 C 0 0 0 3 0 0 -0.0700 0.1400 -0.0400 C 0 0 0 0 0 0 0.3300 1.4000 -0.3200 C 0 0 0 2 0 0 -1.5400 -0.1900 -0.0700 C 0 0 0 1 0 0 -1.9200 -1.3600 0.1900 O 0 0 0 0 0 0 0.6200 -1.8800 -0.1300 H 0 0 0 0 0 0 1.9100 -0.6300 -0.1300 H 0 0 0 0 0 0 1.0300 -1.0000 1.3900 H 0 0 0 0 0 0 1.4000 1.6600 -0.3000 H 0 0 0 0 0 0 -0.4200 2.1700 -0.5700 H 0 0 0 0 0 0 -2.2700 0.5900 -0.3200 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 6 1 1 0 7 1 1 0 8 1 1 0 9 3 1 0 10 3 1 0 11 4 1 0 M END $$$$