TDT2MOL COC(=O)/C=C\C(C)OCc1ccccc1 32 32 0 0 0 0 0 -4.2000 -0.5200 1.2100 C 0 0 0 3 0 0 -3.2600 0.2100 0.5700 O 0 0 0 0 0 0 -3.7700 0.7000 -0.5700 C 0 0 0 0 0 0 -5.0200 0.7500 -0.7100 O 0 0 0 0 0 0 -2.8900 1.1900 -1.6800 C 0 0 0 1 0 0 -1.5500 1.1600 -1.5500 C 0 0 0 1 0 0 -0.9300 0.6200 -0.2900 C 0 0 0 1 0 0 -1.0900 1.6200 0.8200 C 0 0 0 3 0 0 0.3800 0.3900 -0.5200 O 0 0 0 0 0 0 1.0400 0.0400 0.5900 C 0 0 0 2 0 0 2.3800 -0.5300 0.1900 C 0 0 0 0 0 0 2.6200 -0.8500 -1.1500 C 0 0 0 1 0 0 3.8600 -1.3800 -1.5300 C 0 0 0 1 0 0 4.8600 -1.5900 -0.5600 C 0 0 0 1 0 0 4.6100 -1.2700 0.7800 C 0 0 0 1 0 0 3.3700 -0.7400 1.1600 C 0 0 0 1 0 0 -3.7800 -0.9200 2.1400 H 0 0 0 0 0 0 -4.5100 -1.3500 0.5600 H 0 0 0 0 0 0 -5.0700 0.1100 1.4400 H 0 0 0 0 0 0 -3.3400 1.5900 -2.6000 H 0 0 0 0 0 0 -0.9000 1.5200 -2.3600 H 0 0 0 0 0 0 -1.4300 -0.3200 -0.0100 H 0 0 0 0 0 0 -0.6800 1.2100 1.7500 H 0 0 0 0 0 0 -2.1600 1.8400 0.9600 H 0 0 0 0 0 0 -0.5700 2.5500 0.5600 H 0 0 0 0 0 0 1.2200 0.9200 1.2200 H 0 0 0 0 0 0 0.5000 -0.7200 1.1700 H 0 0 0 0 0 0 1.8400 -0.6800 -1.9100 H 0 0 0 0 0 0 4.0600 -1.6300 -2.5800 H 0 0 0 0 0 0 5.8300 -2.0000 -0.8600 H 0 0 0 0 0 0 5.3900 -1.4300 1.5400 H 0 0 0 0 0 0 3.1700 -0.4900 2.2100 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 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 17 1 1 0 18 1 1 0 19 1 1 0 20 5 1 0 21 6 1 0 22 7 1 0 23 8 1 0 24 8 1 0 25 8 1 0 26 10 1 0 27 10 1 0 28 12 1 0 29 13 1 0 30 14 1 0 31 15 1 0 32 16 1 0 M END $$$$