TDT2MOL COC(=O)C(=O)C=Cc1ccccc1 24 24 0 0 0 0 0 5.0400 -0.1900 0.1800 C 0 0 0 3 0 0 3.7400 0.1900 0.2300 O 0 0 0 0 0 0 2.9600 -0.8500 -0.1200 C 0 0 0 0 0 0 3.4600 -1.9500 -0.4300 O 0 0 0 0 0 0 1.4500 -0.6900 -0.1400 C 0 0 0 0 0 0 0.7800 -1.6800 -0.4800 O 0 0 0 0 0 0 0.9200 0.6500 0.2400 C 0 0 0 1 0 0 -0.3200 1.1200 0.3200 C 0 0 0 1 0 0 -1.6700 0.5400 0.0800 C 0 0 0 0 0 0 -2.7400 1.4300 0.3100 C 0 0 0 1 0 0 -4.0700 1.0300 0.1200 C 0 0 0 1 0 0 -4.3500 -0.2800 -0.2900 C 0 0 0 1 0 0 -3.2900 -1.1700 -0.5100 C 0 0 0 1 0 0 -1.9600 -0.7600 -0.3200 C 0 0 0 1 0 0 5.6800 0.6500 0.4800 H 0 0 0 0 0 0 5.2000 -1.0400 0.8700 H 0 0 0 0 0 0 5.2900 -0.5000 -0.8400 H 0 0 0 0 0 0 1.7200 1.4000 0.5000 H 0 0 0 0 0 0 -0.3700 2.2000 0.6500 H 0 0 0 0 0 0 -2.5200 2.4600 0.6300 H 0 0 0 0 0 0 -4.8800 1.7400 0.3000 H 0 0 0 0 0 0 -5.3900 -0.6000 -0.4300 H 0 0 0 0 0 0 -3.4900 -2.2000 -0.8300 H 0 0 0 0 0 0 -1.1800 -1.5000 -0.5100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 14 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 15 1 1 0 16 1 1 0 17 1 1 0 18 7 1 0 19 8 1 0 20 10 1 0 21 11 1 0 22 12 1 0 23 13 1 0 24 14 1 0 M END $$$$