TDT2MOL OC(=O)CCc1c(CC(=O)O)c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc1[nH]2)c(C(=O)O)c5CC(=O)O)c(C(=O)O)c4CC(=O)O)c(C(=O)O)c3CC(=O)O 86 90 0 0 0 0 0 6.5900 -2.0300 1.0200 O 0 0 0 1 0 0 5.8900 -2.3900 -0.0800 C 0 0 0 0 0 0 6.0100 -3.5400 -0.5500 O 0 0 0 0 0 0 4.9600 -1.4100 -0.7300 C 0 0 0 2 0 0 3.7700 -1.1700 0.1500 C 0 0 0 2 0 0 2.8500 -0.1900 -0.5000 C 0 0 0 0 0 0 2.7500 1.1800 -0.2000 C 0 0 0 0 0 0 3.5500 1.9200 0.8300 C 0 0 0 2 0 0 4.9300 1.3500 0.9000 C 0 0 0 0 0 0 5.7400 1.5600 -0.0300 O 0 0 0 0 0 0 5.3000 0.6000 1.9600 O 0 0 0 1 0 0 1.7700 1.7300 -1.0300 C 0 0 0 0 0 0 1.3300 3.1700 -1.0400 C 0 0 0 2 0 0 0.1200 3.3100 -0.1600 C 0 0 0 0 0 0 -1.0200 2.5100 -0.2100 N 0 0 0 1 0 0 -1.9100 2.9600 0.7600 C 0 0 0 0 0 0 -3.2700 2.3900 1.0600 C 0 0 0 2 0 0 -3.3100 0.9500 0.6500 C 0 0 0 0 0 0 -2.5700 -0.0900 1.2400 N 0 0 0 1 0 0 -2.9000 -1.2800 0.5600 C 0 0 0 0 0 0 -2.3500 -2.6400 0.8600 C 0 0 0 2 0 0 -1.1400 -2.8900 0.0000 C 0 0 0 0 0 0 -0.3800 -1.9000 -0.6300 N 0 0 0 1 0 0 0.6500 -2.5400 -1.3300 C 0 0 0 0 0 0 1.7000 -1.8200 -2.1400 C 0 0 0 2 0 0 1.9300 -0.4800 -1.5200 C 0 0 0 0 0 0 1.2600 0.7100 -1.8400 N 0 0 0 1 0 0 0.5200 -3.9100 -1.1400 C 0 0 0 0 0 0 1.4100 -4.9800 -1.7200 C 0 0 0 0 0 0 2.3800 -4.6600 -2.4400 O 0 0 0 0 0 0 1.1700 -6.2800 -1.4500 O 0 0 0 1 0 0 -0.5900 -4.1300 -0.3200 C 0 0 0 0 0 0 -1.1000 -5.4700 0.1400 C 0 0 0 2 0 0 -0.9400 -5.5700 1.6300 C 0 0 0 0 0 0 -0.1800 -4.7900 2.2300 O 0 0 0 0 0 0 -1.6200 -6.5100 2.3200 O 0 0 0 1 0 0 -3.8400 -0.9700 -0.4300 C 0 0 0 0 0 0 -4.4600 -1.9400 -1.3900 C 0 0 0 0 0 0 -5.2800 -1.5400 -2.2400 O 0 0 0 0 0 0 -4.1200 -3.2500 -1.3300 O 0 0 0 1 0 0 -4.0900 0.4100 -0.3800 C 0 0 0 0 0 0 -5.0300 1.1700 -1.2600 C 0 0 0 2 0 0 -6.2900 1.4700 -0.5100 C 0 0 0 0 0 0 -6.3600 1.2200 0.7100 O 0 0 0 0 0 0 -7.3500 2.0000 -1.1500 O 0 0 0 1 0 0 -1.3200 4.0500 1.4200 C 0 0 0 0 0 0 -1.9200 4.8500 2.5400 C 0 0 0 0 0 0 -3.0600 4.5600 2.9600 O 0 0 0 0 0 0 -1.2400 5.8700 3.0800 O 0 0 0 1 0 0 -0.0600 4.2700 0.8400 C 0 0 0 0 0 0 0.9100 5.3400 1.2500 C 0 0 0 2 0 0 1.8700 5.6100 0.1200 C 0 0 0 0 0 0 3.0900 5.7500 0.3600 O 0 0 0 0 0 0 1.4100 5.7000 -1.1400 O 0 0 0 1 0 0 7.4400 -2.4600 1.0100 H 0 0 0 0 0 0 5.4900 -0.4600 -0.8900 H 0 0 0 0 0 0 4.6200 -1.8100 -1.7000 H 0 0 0 0 0 0 4.1100 -0.7700 1.1200 H 0 0 0 0 0 0 3.2400 -2.1200 0.3200 H 0 0 0 0 0 0 3.0600 1.8200 1.8100 H 0 0 0 0 0 0 3.6000 2.9800 0.5600 H 0 0 0 0 0 0 6.2300 0.7200 2.1200 H 0 0 0 0 0 0 2.1500 3.8000 -0.6600 H 0 0 0 0 0 0 1.0800 3.4700 -2.0700 H 0 0 0 0 0 0 -1.1700 1.7400 -0.8400 H 0 0 0 0 0 0 -3.4700 2.4700 2.1400 H 0 0 0 0 0 0 -4.0300 2.9500 0.5000 H 0 0 0 0 0 0 -1.9300 -0.0100 2.0000 H 0 0 0 0 0 0 -2.0600 -2.7000 1.9200 H 0 0 0 0 0 0 -3.1100 -3.4000 0.6400 H 0 0 0 0 0 0 -0.5300 -0.9100 -0.5800 H 0 0 0 0 0 0 2.6400 -2.4000 -2.1300 H 0 0 0 0 0 0 1.3500 -1.7000 -3.1700 H 0 0 0 0 0 0 0.5500 0.8100 -2.5400 H 0 0 0 0 0 0 0.5700 -6.6300 -2.1000 H 0 0 0 0 0 0 -2.1600 -5.5700 -0.1200 H 0 0 0 0 0 0 -0.5200 -6.2700 -0.3500 H 0 0 0 0 0 0 -1.8200 -6.1800 3.1900 H 0 0 0 0 0 0 -4.7100 -3.7000 -0.7300 H 0 0 0 0 0 0 -5.2600 0.5700 -2.1500 H 0 0 0 0 0 0 -4.5500 2.1100 -1.5700 H 0 0 0 0 0 0 -7.8600 1.3100 -1.5500 H 0 0 0 0 0 0 -1.5100 6.6900 2.6700 H 0 0 0 0 0 0 1.4700 5.0000 2.1300 H 0 0 0 0 0 0 0.3600 6.2600 1.4900 H 0 0 0 0 0 0 0.5800 6.1600 -1.1500 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 26 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 7 12 2 0 12 27 1 0 12 13 1 0 13 14 1 0 14 50 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 41 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 32 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 24 28 2 0 28 29 1 0 29 30 2 0 29 31 1 0 28 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 20 37 2 0 37 38 1 0 38 39 2 0 38 40 1 0 37 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 16 46 2 0 46 47 1 0 47 48 2 0 47 49 1 0 46 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 55 1 1 0 56 4 1 0 57 4 1 0 58 5 1 0 59 5 1 0 60 8 1 0 61 8 1 0 62 11 1 0 63 13 1 0 64 13 1 0 65 15 1 0 66 17 1 0 67 17 1 0 68 19 1 0 69 21 1 0 70 21 1 0 71 23 1 0 72 25 1 0 73 25 1 0 74 27 1 0 75 31 1 0 76 33 1 0 77 33 1 0 78 36 1 0 79 40 1 0 80 42 1 0 81 42 1 0 82 45 1 0 83 49 1 0 84 51 1 0 85 51 1 0 86 54 1 0 M END $$$$