TDT2MOL COC(=O)c1c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)c1C(=O)OC 48 48 0 0 0 0 0 0.1900 4.0800 2.1400 C 0 0 0 3 0 0 0.5500 3.5100 0.9700 O 0 0 0 0 0 0 -0.4600 2.7000 0.5400 C 0 0 0 0 0 0 -1.5300 3.3300 0.6000 O 0 0 0 0 0 0 -0.3100 1.2700 0.1500 C 0 0 0 0 0 0 0.9800 0.7100 -0.0100 C 0 0 0 0 0 0 2.1800 1.5500 0.2500 C 0 0 0 0 0 0 2.2300 2.7700 0.4600 O 0 0 0 0 0 0 3.4300 1.0400 0.4400 O 0 0 0 0 0 0 3.8900 1.4500 1.6500 C 0 0 0 3 0 0 1.1200 -0.6300 -0.4100 C 0 0 0 0 0 0 2.4800 -1.2200 -0.5800 C 0 0 0 0 0 0 2.7800 -2.4100 -0.7700 O 0 0 0 0 0 0 3.6100 -0.4600 -0.7000 O 0 0 0 0 0 0 4.2100 -0.7700 -1.8700 C 0 0 0 3 0 0 -0.0300 -1.4200 -0.6400 C 0 0 0 0 0 0 0.1300 -2.8500 -1.0500 C 0 0 0 0 0 0 -0.7800 -3.6900 -1.1700 O 0 0 0 0 0 0 1.3000 -3.4100 -1.4300 O 0 0 0 0 0 0 1.4400 -4.6100 -0.8200 C 0 0 0 3 0 0 -1.3200 -0.8700 -0.4800 C 0 0 0 0 0 0 -2.5200 -1.7100 -0.7400 C 0 0 0 0 0 0 -2.5000 -2.8700 -1.2000 O 0 0 0 0 0 0 -3.8000 -1.3900 -0.4600 O 0 0 0 0 0 0 -4.5800 -1.6600 -1.5300 C 0 0 0 3 0 0 -1.4600 0.4800 -0.0900 C 0 0 0 0 0 0 -2.8200 1.0700 0.0600 C 0 0 0 0 0 0 -3.8900 0.4900 -0.2400 O 0 0 0 0 0 0 -3.1200 2.2800 0.5900 O 0 0 0 0 0 0 -4.0500 2.1400 1.5500 C 0 0 0 3 0 0 -0.7300 4.6700 2.0000 H 0 0 0 0 0 0 0.0200 3.3000 2.8900 H 0 0 0 0 0 0 1.0000 4.7400 2.4800 H 0 0 0 0 0 0 3.9200 2.5400 1.6800 H 0 0 0 0 0 0 4.9000 1.0400 1.8100 H 0 0 0 0 0 0 3.2200 1.0700 2.4400 H 0 0 0 0 0 0 5.1200 -0.1700 -1.9700 H 0 0 0 0 0 0 4.4800 -1.8400 -1.8700 H 0 0 0 0 0 0 3.5300 -0.5600 -2.7000 H 0 0 0 0 0 0 0.6000 -5.2600 -1.1000 H 0 0 0 0 0 0 2.3900 -5.0800 -1.1300 H 0 0 0 0 0 0 1.4500 -4.4700 0.2700 H 0 0 0 0 0 0 -4.5100 -2.7300 -1.7800 H 0 0 0 0 0 0 -4.2300 -1.0600 -2.3900 H 0 0 0 0 0 0 -5.6200 -1.4000 -1.3000 H 0 0 0 0 0 0 -3.6500 1.5000 2.3600 H 0 0 0 0 0 0 -4.3100 3.1300 1.9600 H 0 0 0 0 0 0 -4.9500 1.6700 1.1300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 26 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 11 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 16 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 21 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 31 1 1 0 32 1 1 0 33 1 1 0 34 10 1 0 35 10 1 0 36 10 1 0 37 15 1 0 38 15 1 0 39 15 1 0 40 20 1 0 41 20 1 0 42 20 1 0 43 25 1 0 44 25 1 0 45 25 1 0 46 30 1 0 47 30 1 0 48 30 1 0 M END $$$$