TDT2MOL CC1=CCC(C=C1)S(=O)(=O)OCCOCCOCC2COCCOCCOCCOCCO2 71 72 0 0 0 0 0 -9.8800 1.5100 -1.4600 C 0 0 0 3 0 0 -8.7700 0.8100 -0.7400 C 0 0 0 0 0 0 -8.0600 -0.1500 -1.3500 C 0 0 0 1 0 0 -6.9600 -0.8900 -0.6300 C 0 0 0 2 0 0 -6.3700 -0.1700 0.5200 C 0 0 0 1 0 0 -7.3300 0.7200 1.2500 C 0 0 0 1 0 0 -8.4400 1.2000 0.6600 C 0 0 0 1 0 0 -4.9900 0.9200 -0.0300 S 0 0 0 0 0 0 -4.3900 1.5900 1.0900 O 0 0 0 0 0 0 -5.5300 1.8900 -0.9700 O 0 0 0 0 0 0 -3.9200 0.0100 -0.7900 O 0 0 0 0 0 0 -2.7900 0.6700 -1.0800 C 0 0 0 2 0 0 -1.9500 -0.1700 -1.9900 C 0 0 0 2 0 0 -1.7100 -1.3800 -1.4800 O 0 0 0 0 0 0 -1.2000 -1.3700 -0.2400 C 0 0 0 2 0 0 0.0600 -0.5700 -0.1800 C 0 0 0 2 0 0 0.5800 -0.6200 1.0600 O 0 0 0 0 0 0 1.1700 -1.7500 1.4400 C 0 0 0 2 0 0 2.6700 -1.6600 1.3200 C 0 0 0 1 0 0 3.0700 -1.5200 -0.1300 C 0 0 0 2 0 0 4.4000 -1.5500 -0.2500 O 0 0 0 0 0 0 4.9000 -2.0700 -1.3800 C 0 0 0 2 0 0 5.0100 -1.0300 -2.4500 C 0 0 0 2 0 0 5.9200 -0.1000 -2.1300 O 0 0 0 0 0 0 5.5000 0.8200 -1.2600 C 0 0 0 2 0 0 6.6900 1.5000 -0.6300 C 0 0 0 2 0 0 6.2900 2.4100 0.2600 O 0 0 0 0 0 0 6.0000 1.9800 1.5000 C 0 0 0 2 0 0 4.5200 2.0100 1.7400 C 0 0 0 2 0 0 4.2300 1.6500 3.0000 O 0 0 0 0 0 0 4.6900 0.4400 3.3400 C 0 0 0 2 0 0 4.4000 -0.6000 2.3000 C 0 0 0 2 0 0 3.0900 -0.6100 2.0400 O 0 0 0 0 0 0 -10.6100 1.9000 -0.7300 H 0 0 0 0 0 0 -10.3900 0.7900 -2.1300 H 0 0 0 0 0 0 -9.4700 2.3400 -2.0600 H 0 0 0 0 0 0 -8.2900 -0.4300 -2.3900 H 0 0 0 0 0 0 -7.4600 -1.8300 -0.2900 H 0 0 0 0 0 0 -6.2200 -1.2100 -1.3800 H 0 0 0 0 0 0 -5.9200 -0.8500 1.2700 H 0 0 0 0 0 0 -7.1000 1.0000 2.3000 H 0 0 0 0 0 0 -9.1100 1.8700 1.2200 H 0 0 0 0 0 0 -3.0200 1.6300 -1.5700 H 0 0 0 0 0 0 -2.2300 0.8900 -0.1500 H 0 0 0 0 0 0 -1.0100 0.3500 -2.2200 H 0 0 0 0 0 0 -2.5000 -0.3100 -2.9500 H 0 0 0 0 0 0 -1.9400 -0.9800 0.4700 H 0 0 0 0 0 0 -0.9800 -2.4200 0.0400 H 0 0 0 0 0 0 -0.1600 0.4800 -0.4200 H 0 0 0 0 0 0 0.7800 -0.9700 -0.9100 H 0 0 0 0 0 0 0.8300 -2.6300 0.8600 H 0 0 0 0 0 0 0.9100 -1.9300 2.5000 H 0 0 0 0 0 0 3.1200 -2.5900 1.7200 H 0 0 0 0 0 0 2.6000 -2.3400 -0.7000 H 0 0 0 0 0 0 2.6900 -0.5600 -0.5200 H 0 0 0 0 0 0 5.9000 -2.4900 -1.1700 H 0 0 0 0 0 0 4.2600 -2.9100 -1.7300 H 0 0 0 0 0 0 5.3400 -1.5100 -3.4000 H 0 0 0 0 0 0 4.0200 -0.5800 -2.6200 H 0 0 0 0 0 0 4.8900 0.3600 -0.4700 H 0 0 0 0 0 0 4.8900 1.5800 -1.7800 H 0 0 0 0 0 0 7.2900 1.9900 -1.4100 H 0 0 0 0 0 0 7.3200 0.7400 -0.1400 H 0 0 0 0 0 0 6.4800 2.6800 2.2300 H 0 0 0 0 0 0 6.3900 0.9800 1.7100 H 0 0 0 0 0 0 4.0100 1.3400 1.0300 H 0 0 0 0 0 0 4.1400 3.0300 1.5700 H 0 0 0 0 0 0 5.7700 0.4800 3.5400 H 0 0 0 0 0 0 4.1900 0.1500 4.2900 H 0 0 0 0 0 0 4.7200 -1.5900 2.6700 H 0 0 0 0 0 0 4.9600 -0.3800 1.3800 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 1 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 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 33 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 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 34 1 1 0 35 1 1 0 36 1 1 0 37 3 1 0 38 4 1 0 39 4 1 0 40 5 1 0 41 6 1 0 42 7 1 0 43 12 1 0 44 12 1 0 45 13 1 0 46 13 1 0 47 15 1 0 48 15 1 0 49 16 1 0 50 16 1 0 51 18 1 0 52 18 1 0 53 19 1 0 54 20 1 0 55 20 1 0 56 22 1 0 57 22 1 0 58 23 1 0 59 23 1 0 60 25 1 0 61 25 1 0 62 26 1 0 63 26 1 0 64 28 1 0 65 28 1 0 66 29 1 0 67 29 1 0 68 31 1 0 69 31 1 0 70 32 1 0 71 32 1 0 M END $$$$