TDT2MOL CCOC(=O)N1C(=C(C(C(=C1C)C2=NC(COC)C(O2)c3ccccc3)c4ccccc4)C(=O)OC(C)(C)C)C 78 81 0 0 0 0 0 -0.0700 6.4500 -3.2400 C 0 0 0 3 0 0 0.9900 5.6500 -2.5300 C 0 0 0 2 0 0 0.6400 4.3400 -2.5500 O 0 0 0 0 0 0 1.5900 3.6200 -1.9300 C 0 0 0 0 0 0 2.7500 4.1000 -1.8800 O 0 0 0 0 0 0 1.3200 2.3300 -1.3200 N 0 0 0 0 0 0 2.4700 1.6600 -0.6800 C 0 0 0 0 0 0 2.3000 0.4700 -0.1000 C 0 0 0 0 0 0 0.9800 -0.2500 -0.0600 C 0 0 0 1 0 0 -0.1200 0.4800 -0.7200 C 0 0 0 0 0 0 0.0400 1.6900 -1.3100 C 0 0 0 0 0 0 -1.2000 2.2700 -1.9300 C 0 0 0 3 0 0 -1.4800 -0.1300 -0.7500 C 0 0 0 0 0 0 -2.4500 0.4600 -1.3100 N 0 0 0 0 0 0 -3.6600 -0.4300 -1.1500 C 0 0 0 1 0 0 -4.8200 0.3800 -0.7300 C 0 0 0 2 0 0 -5.9700 -0.3100 -0.8400 O 0 0 0 0 0 0 -5.9200 -1.5100 -0.2400 C 0 0 0 3 0 0 -3.1500 -1.4300 -0.1600 C 0 0 0 1 0 0 -1.7700 -1.3300 -0.1900 O 0 0 0 0 0 0 -3.5600 -1.1500 1.2500 C 0 0 0 0 0 0 -4.1300 -2.1700 2.0300 C 0 0 0 1 0 0 -4.5100 -1.9100 3.3500 C 0 0 0 1 0 0 -4.3200 -0.6400 3.9000 C 0 0 0 1 0 0 -3.7500 0.3800 3.1200 C 0 0 0 1 0 0 -3.3600 0.1200 1.8000 C 0 0 0 1 0 0 1.1700 -1.6000 -0.7200 C 0 0 0 0 0 0 1.1900 -1.6900 -2.1100 C 0 0 0 1 0 0 1.3700 -2.9400 -2.7200 C 0 0 0 1 0 0 1.5100 -4.0900 -1.9300 C 0 0 0 1 0 0 1.4800 -3.9900 -0.5400 C 0 0 0 1 0 0 1.3100 -2.7400 0.0700 C 0 0 0 1 0 0 3.4100 -0.3000 0.5700 C 0 0 0 0 0 0 4.5800 0.1000 0.6500 O 0 0 0 0 0 0 3.1200 -1.4900 1.1200 O 0 0 0 0 0 0 3.9600 -1.8100 2.1200 C 0 0 0 0 0 0 4.1200 -0.6900 3.1000 C 0 0 0 3 0 0 5.3000 -2.2200 1.5900 C 0 0 0 3 0 0 3.3600 -2.9900 2.8400 C 0 0 0 3 0 0 3.7700 2.4000 -0.7500 C 0 0 0 3 0 0 -1.0300 6.3200 -2.7200 H 0 0 0 0 0 0 0.2100 7.5200 -3.2200 H 0 0 0 0 0 0 -0.1600 6.1100 -4.2800 H 0 0 0 0 0 0 1.0700 5.9900 -1.4900 H 0 0 0 0 0 0 1.9500 5.7800 -3.0500 H 0 0 0 0 0 0 0.7300 -0.4300 1.0000 H 0 0 0 0 0 0 -0.9900 3.2500 -2.3800 H 0 0 0 0 0 0 -1.5700 1.5800 -2.7000 H 0 0 0 0 0 0 -1.9700 2.3900 -1.1500 H 0 0 0 0 0 0 -3.8200 -0.8500 -2.1500 H 0 0 0 0 0 0 -4.9200 1.2900 -1.3500 H 0 0 0 0 0 0 -4.7000 0.7000 0.3200 H 0 0 0 0 0 0 -5.5000 -1.4300 0.7700 H 0 0 0 0 0 0 -5.3200 -2.2000 -0.8500 H 0 0 0 0 0 0 -6.9500 -1.9100 -0.1600 H 0 0 0 0 0 0 -3.4000 -2.4700 -0.4100 H 0 0 0 0 0 0 -4.2800 -3.1700 1.6000 H 0 0 0 0 0 0 -4.9600 -2.7100 3.9600 H 0 0 0 0 0 0 -4.6200 -0.4300 4.9400 H 0 0 0 0 0 0 -3.5900 1.3800 3.5500 H 0 0 0 0 0 0 -2.9100 0.9200 1.1900 H 0 0 0 0 0 0 1.0800 -0.7900 -2.7300 H 0 0 0 0 0 0 1.3900 -3.0200 -3.8200 H 0 0 0 0 0 0 1.6400 -5.0700 -2.4100 H 0 0 0 0 0 0 1.5900 -4.9000 0.0800 H 0 0 0 0 0 0 1.2900 -2.6700 1.1700 H 0 0 0 0 0 0 4.5900 0.1900 2.6300 H 0 0 0 0 0 0 4.7500 -1.0100 3.9400 H 0 0 0 0 0 0 3.1200 -0.4000 3.4800 H 0 0 0 0 0 0 5.9500 -2.5500 2.4200 H 0 0 0 0 0 0 5.1700 -3.0600 0.8800 H 0 0 0 0 0 0 5.8000 -1.3900 1.0700 H 0 0 0 0 0 0 2.3700 -2.7200 3.2600 H 0 0 0 0 0 0 4.0200 -3.2900 3.6700 H 0 0 0 0 0 0 3.2400 -3.8400 2.1600 H 0 0 0 0 0 0 3.6400 3.3800 -0.2500 H 0 0 0 0 0 0 4.0300 2.5700 -1.8100 H 0 0 0 0 0 0 4.5700 1.8500 -0.2600 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 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 10 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 26 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 9 27 1 0 27 32 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 8 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 7 40 1 0 41 1 1 0 42 1 1 0 43 1 1 0 44 2 1 0 45 2 1 0 46 9 1 0 47 12 1 0 48 12 1 0 49 12 1 0 50 15 1 0 51 16 1 0 52 16 1 0 53 18 1 0 54 18 1 0 55 18 1 0 56 19 1 0 57 22 1 0 58 23 1 0 59 24 1 0 60 25 1 0 61 26 1 0 62 28 1 0 63 29 1 0 64 30 1 0 65 31 1 0 66 32 1 0 67 37 1 0 68 37 1 0 69 37 1 0 70 38 1 0 71 38 1 0 72 38 1 0 73 39 1 0 74 39 1 0 75 39 1 0 76 40 1 0 77 40 1 0 78 40 1 0 M END $$$$