TDT2MOL COC(=O)C(C(N1C(CO)C(NC(=O)Cc2ccccc2)C1=O)C(=C)OCc3ccccc3)S(=O)(=O)c4ccccc4 74 77 0 0 0 0 0 2.4200 2.4900 3.1900 C 0 0 0 3 0 0 2.5000 2.1400 1.8900 O 0 0 0 0 0 0 1.2700 1.8100 1.4400 C 0 0 0 0 0 0 0.2800 1.9100 2.1900 O 0 0 0 0 0 0 1.0900 1.3200 0.0300 C 0 0 0 1 0 0 0.4400 -0.0400 0.0600 C 0 0 0 1 0 0 -0.7900 0.0100 0.6900 N 0 0 0 0 0 0 -1.9200 1.0300 0.6600 C 0 0 0 1 0 0 -2.5100 1.0800 -0.6800 C 0 0 0 2 0 0 -1.6300 1.5900 -1.5600 O 0 0 0 1 0 0 -2.7300 0.1900 1.6900 C 0 0 0 1 0 0 -3.8700 -0.4700 1.2000 N 0 0 0 1 0 0 -3.7400 -1.5700 0.2500 C 0 0 0 0 0 0 -2.6100 -1.9300 -0.1400 O 0 0 0 0 0 0 -4.9800 -2.2600 -0.2600 C 0 0 0 2 0 0 -6.1000 -1.2600 -0.3500 C 0 0 0 0 0 0 -6.9400 -1.0500 0.7500 C 0 0 0 1 0 0 -7.9800 -0.1200 0.6600 C 0 0 0 1 0 0 -8.1900 0.5900 -0.5300 C 0 0 0 1 0 0 -7.3400 0.3800 -1.6300 C 0 0 0 1 0 0 -6.3000 -0.5500 -1.5400 C 0 0 0 1 0 0 -1.5100 -0.8300 1.6800 C 0 0 0 0 0 0 -1.3600 -1.8400 2.2800 O 0 0 0 0 0 0 1.3600 -0.9900 0.8000 C 0 0 0 0 0 0 1.1400 -1.2500 2.1000 C 0 0 0 2 0 0 2.3800 -1.5500 0.1300 O 0 0 0 0 0 0 2.3000 -2.8900 0.1800 C 0 0 0 2 0 0 3.4300 -3.4800 -0.6200 C 0 0 0 0 0 0 4.2600 -2.6400 -1.3700 C 0 0 0 1 0 0 5.3000 -3.1900 -2.1300 C 0 0 0 1 0 0 5.5200 -4.5700 -2.1200 C 0 0 0 1 0 0 4.6900 -5.4100 -1.3700 C 0 0 0 1 0 0 3.6400 -4.8700 -0.6200 C 0 0 0 1 0 0 2.6900 1.2100 -0.7800 S 0 0 0 0 0 0 3.5600 0.3100 -0.0400 O 0 0 0 0 0 0 2.5200 0.7200 -2.1300 O 0 0 0 0 0 0 3.4500 2.8500 -0.8400 C 0 0 0 0 0 0 4.7300 3.0000 -1.3900 C 0 0 0 1 0 0 5.3200 4.2700 -1.4400 C 0 0 0 1 0 0 4.6300 5.3800 -0.9400 C 0 0 0 1 0 0 3.3500 5.2300 -0.4000 C 0 0 0 1 0 0 2.7600 3.9600 -0.3500 C 0 0 0 1 0 0 1.7400 3.3500 3.3000 H 0 0 0 0 0 0 2.0300 1.6400 3.7700 H 0 0 0 0 0 0 3.4200 2.7600 3.5600 H 0 0 0 0 0 0 0.4500 2.0200 -0.5200 H 0 0 0 0 0 0 0.3500 -0.4100 -0.9800 H 0 0 0 0 0 0 -1.5500 1.9500 1.0600 H 0 0 0 0 0 0 -3.4100 1.7200 -0.6700 H 0 0 0 0 0 0 -2.8100 0.0700 -1.0100 H 0 0 0 0 0 0 -0.8800 1.0200 -1.6400 H 0 0 0 0 0 0 -2.7700 0.6200 2.6700 H 0 0 0 0 0 0 -4.8000 -0.2100 1.4900 H 0 0 0 0 0 0 -4.7800 -2.6800 -1.2500 H 0 0 0 0 0 0 -5.2600 -3.0600 0.4400 H 0 0 0 0 0 0 -6.7800 -1.6100 1.6800 H 0 0 0 0 0 0 -8.6500 0.0500 1.5200 H 0 0 0 0 0 0 -9.0100 1.3200 -0.6000 H 0 0 0 0 0 0 -7.5000 0.9400 -2.5600 H 0 0 0 0 0 0 -5.6400 -0.7200 -2.4000 H 0 0 0 0 0 0 1.8000 -1.9400 2.6400 H 0 0 0 0 0 0 0.2900 -0.7800 2.6200 H 0 0 0 0 0 0 1.3400 -3.2300 -0.2300 H 0 0 0 0 0 0 2.3900 -3.2300 1.2300 H 0 0 0 0 0 0 4.0900 -1.5600 -1.3800 H 0 0 0 0 0 0 5.9600 -2.5300 -2.7200 H 0 0 0 0 0 0 6.3400 -5.0000 -2.7100 H 0 0 0 0 0 0 4.8600 -6.5000 -1.3700 H 0 0 0 0 0 0 2.9900 -5.5200 -0.0200 H 0 0 0 0 0 0 5.2700 2.1300 -1.7800 H 0 0 0 0 0 0 6.3300 4.3900 -1.8700 H 0 0 0 0 0 0 5.1000 6.3800 -0.9800 H 0 0 0 0 0 0 2.8100 6.1000 -0.0100 H 0 0 0 0 0 0 1.7600 3.8400 0.0800 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 1 0 6 7 1 0 7 22 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 21 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 11 22 1 0 22 23 2 0 6 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 33 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 5 34 1 0 34 35 2 0 34 36 2 0 34 37 1 0 37 42 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 43 1 1 0 44 1 1 0 45 1 1 0 46 5 1 0 47 6 1 0 48 8 1 0 49 9 1 0 50 9 1 0 51 10 1 0 52 11 1 0 53 12 1 0 54 15 1 0 55 15 1 0 56 17 1 0 57 18 1 0 58 19 1 0 59 20 1 0 60 21 1 0 61 25 1 0 62 25 1 0 63 27 1 0 64 27 1 0 65 29 1 0 66 30 1 0 67 31 1 0 68 32 1 0 69 33 1 0 70 38 1 0 71 39 1 0 72 40 1 0 73 41 1 0 74 42 1 0 M END $$$$