TDT2MOL Cc1ccc(cc1)S(=O)(=O)OCC2COCCOCCOCCOCCO2 55 56 0 0 0 0 0 -7.4700 -0.3200 0.5100 C 0 0 0 3 0 0 -6.1100 0.2800 0.3200 C 0 0 0 0 0 0 -5.4000 0.7800 1.4200 C 0 0 0 1 0 0 -4.1300 1.3400 1.2500 C 0 0 0 1 0 0 -3.5700 1.4000 -0.0300 C 0 0 0 0 0 0 -4.2700 0.9000 -1.1300 C 0 0 0 1 0 0 -5.5400 0.3400 -0.9600 C 0 0 0 1 0 0 -1.9300 2.1200 -0.2700 S 0 0 0 0 0 0 -1.8200 3.2700 0.6300 O 0 0 0 0 0 0 -1.8500 2.6300 -1.6300 O 0 0 0 0 0 0 -0.7300 1.1400 0.0000 O 0 0 0 0 0 0 -1.0200 -0.1700 0.1000 C 0 0 0 2 0 0 0.2200 -0.9900 -0.1900 C 0 0 0 1 0 0 0.6700 -0.6900 -1.5900 C 0 0 0 2 0 0 0.9900 0.6100 -1.7100 O 0 0 0 0 0 0 2.1400 0.9900 -1.1200 C 0 0 0 2 0 0 1.8700 1.8200 0.1000 C 0 0 0 2 0 0 2.9500 2.0400 0.8500 O 0 0 0 0 0 0 4.0900 2.3600 0.2000 C 0 0 0 2 0 0 4.8300 1.1800 -0.3500 C 0 0 0 2 0 0 4.6900 0.1000 0.4300 O 0 0 0 0 0 0 4.7700 -1.1000 -0.1500 C 0 0 0 2 0 0 3.9700 -2.1000 0.6300 C 0 0 0 2 0 0 2.6900 -1.7200 0.6800 O 0 0 0 0 0 0 1.8400 -2.5300 1.3100 C 0 0 0 2 0 0 0.8400 -3.1300 0.3700 C 0 0 0 2 0 0 -0.0900 -2.2800 -0.0800 O 0 0 0 0 0 0 -7.3800 -1.2300 1.1300 H 0 0 0 0 0 0 -7.9000 -0.5800 -0.4700 H 0 0 0 0 0 0 -8.1200 0.4000 1.0200 H 0 0 0 0 0 0 -5.8500 0.7300 2.4300 H 0 0 0 0 0 0 -3.5800 1.7300 2.1100 H 0 0 0 0 0 0 -3.8300 0.9600 -2.1400 H 0 0 0 0 0 0 -6.1000 -0.0500 -1.8200 H 0 0 0 0 0 0 -1.3700 -0.3900 1.1200 H 0 0 0 0 0 0 -1.8100 -0.4500 -0.6100 H 0 0 0 0 0 0 1.0000 -0.7000 0.5300 H 0 0 0 0 0 0 -0.1300 -0.9300 -2.3000 H 0 0 0 0 0 0 1.5600 -1.3000 -1.8200 H 0 0 0 0 0 0 2.7000 1.6000 -1.8600 H 0 0 0 0 0 0 2.7800 0.1300 -0.8500 H 0 0 0 0 0 0 1.1400 1.2800 0.7600 H 0 0 0 0 0 0 1.4000 2.7800 -0.1800 H 0 0 0 0 0 0 3.8500 3.1100 -0.5800 H 0 0 0 0 0 0 4.7100 2.9000 0.9500 H 0 0 0 0 0 0 4.5100 0.9500 -1.3900 H 0 0 0 0 0 0 5.9200 1.3800 -0.4300 H 0 0 0 0 0 0 5.8200 -1.4300 -0.1900 H 0 0 0 0 0 0 4.3800 -1.0700 -1.1800 H 0 0 0 0 0 0 4.0500 -3.0900 0.1500 H 0 0 0 0 0 0 4.3700 -2.1700 1.6600 H 0 0 0 0 0 0 2.3500 -3.3200 1.8900 H 0 0 0 0 0 0 1.2800 -1.9200 2.0700 H 0 0 0 0 0 0 0.2800 -3.9600 0.8700 H 0 0 0 0 0 0 1.3700 -3.5900 -0.4900 H 0 0 0 0 0 0 1 2 1 0 2 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 1 0 12 13 1 0 13 27 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 28 1 1 0 29 1 1 0 30 1 1 0 31 3 1 0 32 4 1 0 33 6 1 0 34 7 1 0 35 12 1 0 36 12 1 0 37 13 1 0 38 14 1 0 39 14 1 0 40 16 1 0 41 16 1 0 42 17 1 0 43 17 1 0 44 19 1 0 45 19 1 0 46 20 1 0 47 20 1 0 48 22 1 0 49 22 1 0 50 23 1 0 51 23 1 0 52 25 1 0 53 25 1 0 54 26 1 0 55 26 1 0 M END $$$$