TDT2MOL CCOC(=O)[n+]1c(C)c(C(=O)OC(C)(C)C)c(c2ccccc2)c(C3=NC(C)(C)CC3)c1C 68 70 0 0 0 0 0 -2.2900 -6.0100 -0.2200 C 0 0 0 3 0 0 -1.5700 -6.0100 1.1000 C 0 0 0 2 0 0 -0.8500 -4.8700 1.2100 O 0 0 0 0 0 0 -1.6900 -3.8000 1.1700 C 0 0 0 0 0 0 -2.8800 -3.9900 1.4700 O 0 0 0 0 0 0 -1.1600 -2.5100 0.7700 N 0 3 0 0 0 0 0.2100 -2.4600 0.4400 C 0 0 0 0 0 0 0.9900 -3.7300 0.5300 C 0 0 0 3 0 0 0.7800 -1.2600 0.0500 C 0 0 0 0 0 0 2.2200 -1.0800 -0.3200 C 0 0 0 0 0 0 3.0600 -1.9800 -0.3200 O 0 0 0 0 0 0 2.6500 0.1500 -0.6800 O 0 0 0 0 0 0 3.9500 0.3300 -0.4000 C 0 0 0 0 0 0 4.8300 -0.3800 -1.3800 C 0 0 0 3 0 0 4.2900 -0.0900 1.0000 C 0 0 0 3 0 0 4.2200 1.8200 -0.5200 C 0 0 0 3 0 0 -0.0100 -0.1000 -0.0100 C 0 0 0 0 0 0 0.5900 1.1600 -0.4200 C 0 0 0 0 0 0 0.9100 2.1200 0.5300 C 0 0 0 1 0 0 1.4800 3.3400 0.1400 C 0 0 0 1 0 0 1.7400 3.5800 -1.2200 C 0 0 0 1 0 0 1.4200 2.6100 -2.1700 C 0 0 0 1 0 0 0.8400 1.4000 -1.7800 C 0 0 0 1 0 0 -1.3700 -0.1400 0.3100 C 0 0 0 0 0 0 -2.1100 1.1300 0.2100 C 0 0 0 0 0 0 -1.4800 2.2000 -0.1400 N 0 0 0 0 0 0 -2.4100 3.3600 -0.1900 C 0 0 0 0 0 0 -2.0400 4.2400 -1.3300 C 0 0 0 3 0 0 -2.2600 4.1000 1.1100 C 0 0 0 3 0 0 -3.7700 2.7200 -0.3000 C 0 0 0 2 0 0 -3.5800 1.4100 0.4400 C 0 0 0 2 0 0 -1.9500 -1.3600 0.7100 C 0 0 0 0 0 0 -3.4100 -1.3600 1.0700 C 0 0 0 3 0 0 -2.8800 -6.9400 -0.3200 H 0 0 0 0 0 0 -2.9700 -5.1500 -0.2800 H 0 0 0 0 0 0 -1.5600 -5.9600 -1.0400 H 0 0 0 0 0 0 -2.3100 -6.0600 1.9100 H 0 0 0 0 0 0 -0.9000 -6.8700 1.1500 H 0 0 0 0 0 0 0.5500 -4.4800 -0.1500 H 0 0 0 0 0 0 2.0400 -3.5700 0.2500 H 0 0 0 0 0 0 0.9500 -4.1100 1.5700 H 0 0 0 0 0 0 5.8900 -0.1500 -1.1700 H 0 0 0 0 0 0 4.5800 -0.0500 -2.4000 H 0 0 0 0 0 0 4.7000 -1.4700 -1.3100 H 0 0 0 0 0 0 4.1300 -1.1700 1.1300 H 0 0 0 0 0 0 3.6500 0.4600 1.7200 H 0 0 0 0 0 0 5.3500 0.1400 1.2100 H 0 0 0 0 0 0 3.6000 2.3800 0.2000 H 0 0 0 0 0 0 5.2800 2.0200 -0.3000 H 0 0 0 0 0 0 4.0100 2.1600 -1.5400 H 0 0 0 0 0 0 0.7000 1.9300 1.6000 H 0 0 0 0 0 0 1.7300 4.1000 0.8900 H 0 0 0 0 0 0 2.1900 4.5400 -1.5300 H 0 0 0 0 0 0 1.6200 2.8100 -3.2400 H 0 0 0 0 0 0 0.5900 0.6400 -2.5300 H 0 0 0 0 0 0 -2.7000 5.1200 -1.3400 H 0 0 0 0 0 0 -0.9900 4.5700 -1.2100 H 0 0 0 0 0 0 -2.1400 3.7000 -2.2800 H 0 0 0 0 0 0 -2.9300 4.9700 1.1100 H 0 0 0 0 0 0 -1.2200 4.4500 1.2200 H 0 0 0 0 0 0 -2.5100 3.4500 1.9500 H 0 0 0 0 0 0 -4.0100 2.5200 -1.3600 H 0 0 0 0 0 0 -4.5700 3.3300 0.1200 H 0 0 0 0 0 0 -4.2000 0.6000 0.0500 H 0 0 0 0 0 0 -3.7300 1.5500 1.5200 H 0 0 0 0 0 0 -3.6200 -0.4400 1.6400 H 0 0 0 0 0 0 -4.0200 -1.3800 0.1600 H 0 0 0 0 0 0 -3.6600 -2.2100 1.7200 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 32 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 9 17 2 0 17 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 17 24 1 0 24 25 1 0 25 31 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 30 31 1 0 24 32 2 0 32 33 1 0 34 1 1 0 35 1 1 0 36 1 1 0 37 2 1 0 38 2 1 0 39 8 1 0 40 8 1 0 41 8 1 0 42 14 1 0 43 14 1 0 44 14 1 0 45 15 1 0 46 15 1 0 47 15 1 0 48 16 1 0 49 16 1 0 50 16 1 0 51 19 1 0 52 20 1 0 53 21 1 0 54 22 1 0 55 23 1 0 56 28 1 0 57 28 1 0 58 28 1 0 59 29 1 0 60 29 1 0 61 29 1 0 62 30 1 0 63 30 1 0 64 31 1 0 65 31 1 0 66 33 1 0 67 33 1 0 68 33 1 0 M END $$$$