TDT2MOL CCOC(=O)C(Cc1ccc2OCOc2c1)NC(=O)C3CCN(CC3)C(=O)CCC4CCNCC4 72 75 0 0 0 0 0 -3.7100 -3.6500 1.5200 C 0 0 0 3 0 0 -4.5100 -3.9900 0.3000 C 0 0 0 2 0 0 -3.9000 -3.5100 -0.8000 O 0 0 0 0 0 0 -3.8800 -2.1600 -0.7800 C 0 0 0 0 0 0 -4.4900 -1.5500 0.1300 O 0 0 0 0 0 0 -3.1400 -1.4000 -1.8300 C 0 0 0 1 0 0 -4.0300 -0.3400 -2.4200 C 0 0 0 2 0 0 -4.4700 0.6000 -1.3300 C 0 0 0 0 0 0 -3.6100 1.6300 -0.9200 C 0 0 0 1 0 0 -4.0000 2.5200 0.1000 C 0 0 0 1 0 0 -5.2400 2.3500 0.6700 C 0 0 0 0 0 0 -5.8900 3.0700 1.6900 O 0 0 0 0 0 0 -7.1100 2.4500 1.8500 C 0 0 0 2 0 0 -7.2900 1.3800 1.0100 O 0 0 0 0 0 0 -6.1000 1.3000 0.2500 C 0 0 0 0 0 0 -5.7300 0.4200 -0.7400 C 0 0 0 1 0 0 -1.9600 -0.7700 -1.2500 N 0 0 0 1 0 0 -2.1100 0.0500 -0.0700 C 0 0 0 0 0 0 -3.2200 0.2200 0.4700 O 0 0 0 0 0 0 -0.8700 0.7100 0.5400 C 0 0 0 1 0 0 -0.1300 -0.3100 1.3800 C 0 0 0 2 0 0 0.7600 -1.1300 0.5000 C 0 0 0 2 0 0 1.7100 -0.2500 -0.1800 N 0 0 0 0 0 0 1.4600 1.1800 -0.2500 C 0 0 0 2 0 0 -0.0300 1.3700 -0.5000 C 0 0 0 2 0 0 2.9000 -0.8200 -0.7900 C 0 0 0 0 0 0 3.1000 -2.0500 -0.7300 O 0 0 0 0 0 0 3.8900 0.0600 -1.5000 C 0 0 0 2 0 0 4.6100 0.9200 -0.5100 C 0 0 0 2 0 0 5.2800 0.0800 0.5400 C 0 0 0 1 0 0 6.3300 -0.8100 -0.0500 C 0 0 0 2 0 0 7.4400 0.0100 -0.6300 C 0 0 0 2 0 0 8.0200 0.8500 0.3900 N 0 0 0 1 0 0 7.0500 1.7500 0.9700 C 0 0 0 2 0 0 5.9300 0.9600 1.5800 C 0 0 0 2 0 0 -4.2100 -4.0600 2.4100 H 0 0 0 0 0 0 -2.7100 -4.0900 1.4300 H 0 0 0 0 0 0 -3.6300 -2.5600 1.6200 H 0 0 0 0 0 0 -5.5200 -3.5600 0.3900 H 0 0 0 0 0 0 -4.6000 -5.0800 0.2100 H 0 0 0 0 0 0 -2.8200 -2.0900 -2.6300 H 0 0 0 0 0 0 -4.9200 -0.8200 -2.8600 H 0 0 0 0 0 0 -3.4900 0.2200 -3.1900 H 0 0 0 0 0 0 -2.6300 1.7500 -1.3900 H 0 0 0 0 0 0 -3.3200 3.3300 0.4100 H 0 0 0 0 0 0 -7.1800 2.1000 2.8800 H 0 0 0 0 0 0 -7.9000 3.1900 1.6400 H 0 0 0 0 0 0 -6.3800 -0.3900 -1.0800 H 0 0 0 0 0 0 -1.0700 -0.9000 -1.6700 H 0 0 0 0 0 0 -1.3300 1.4500 1.2500 H 0 0 0 0 0 0 0.5200 0.2000 2.1200 H 0 0 0 0 0 0 -0.8000 -0.9600 1.9500 H 0 0 0 0 0 0 0.1500 -1.6400 -0.2600 H 0 0 0 0 0 0 1.3100 -1.8700 1.0900 H 0 0 0 0 0 0 1.7000 1.6200 0.7300 H 0 0 0 0 0 0 2.0700 1.6500 -1.0200 H 0 0 0 0 0 0 -0.2000 2.4600 -0.5800 H 0 0 0 0 0 0 -0.2000 0.9700 -1.5200 H 0 0 0 0 0 0 4.6000 -0.5700 -2.0500 H 0 0 0 0 0 0 3.3500 0.7000 -2.2200 H 0 0 0 0 0 0 5.3400 1.5500 -1.0400 H 0 0 0 0 0 0 3.8800 1.5900 -0.0100 H 0 0 0 0 0 0 4.5100 -0.5400 1.0300 H 0 0 0 0 0 0 5.9000 -1.4500 -0.8300 H 0 0 0 0 0 0 6.7500 -1.4500 0.7400 H 0 0 0 0 0 0 7.0600 0.6400 -1.4500 H 0 0 0 0 0 0 8.2200 -0.6600 -1.0400 H 0 0 0 0 0 0 8.7800 1.3800 0.0100 H 0 0 0 0 0 0 7.5200 2.3600 1.7400 H 0 0 0 0 0 0 6.6500 2.4100 0.1900 H 0 0 0 0 0 0 6.3400 0.3200 2.3800 H 0 0 0 0 0 0 5.1800 1.6400 2.0100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 16 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 15 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 6 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 35 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 36 1 1 0 37 1 1 0 38 1 1 0 39 2 1 0 40 2 1 0 41 6 1 0 42 7 1 0 43 7 1 0 44 9 1 0 45 10 1 0 46 13 1 0 47 13 1 0 48 16 1 0 49 17 1 0 50 20 1 0 51 21 1 0 52 21 1 0 53 22 1 0 54 22 1 0 55 24 1 0 56 24 1 0 57 25 1 0 58 25 1 0 59 28 1 0 60 28 1 0 61 29 1 0 62 29 1 0 63 30 1 0 64 31 1 0 65 31 1 0 66 32 1 0 67 32 1 0 68 33 1 0 69 34 1 0 70 34 1 0 71 35 1 0 72 35 1 0 M END $$$$