TDT2MOL C=CCCCCC1C(CCCC=C)NC(N1c2ccccc2)c3ccccc3 62 64 0 0 0 0 0 6.5600 -0.1000 0.1200 C 0 0 0 2 0 0 5.7900 1.0000 0.2700 C 0 0 0 1 0 0 4.4100 0.8900 0.8500 C 0 0 0 2 0 0 3.5000 0.2100 -0.1300 C 0 0 0 2 0 0 2.1100 0.1400 0.4400 C 0 0 0 2 0 0 1.2100 -0.5400 -0.5400 C 0 0 0 2 0 0 -0.1800 -0.5800 -0.0100 C 0 0 0 1 0 0 -1.2200 -1.0600 -0.9700 C 0 0 0 1 0 0 -1.3400 -2.5400 -1.0400 C 0 0 0 2 0 0 -1.6800 -3.1700 0.2800 C 0 0 0 2 0 0 -1.8300 -4.6600 0.1100 C 0 0 0 2 0 0 -2.9100 -4.9400 -0.8900 C 0 0 0 1 0 0 -3.0100 -6.1600 -1.4500 C 0 0 0 2 0 0 -2.4600 -0.3800 -0.5900 N 0 0 0 1 0 0 -2.0900 0.9100 -0.0200 C 0 0 0 1 0 0 -0.6400 0.8100 0.2700 N 0 0 0 0 0 0 -0.1400 1.4300 1.4300 C 0 0 0 0 0 0 0.5500 2.6400 1.3400 C 0 0 0 1 0 0 1.0500 3.2500 2.5000 C 0 0 0 1 0 0 0.8500 2.6500 3.7400 C 0 0 0 1 0 0 0.1600 1.4400 3.8400 C 0 0 0 1 0 0 -0.3400 0.8200 2.6800 C 0 0 0 1 0 0 -2.3000 1.9900 -1.0300 C 0 0 0 0 0 0 -2.4400 3.3200 -0.5900 C 0 0 0 1 0 0 -2.6400 4.3500 -1.5200 C 0 0 0 1 0 0 -2.7000 4.0500 -2.8900 C 0 0 0 1 0 0 -2.5700 2.7200 -3.3200 C 0 0 0 1 0 0 -2.3700 1.7000 -2.3900 C 0 0 0 1 0 0 6.1700 -1.0900 0.4100 H 0 0 0 0 0 0 7.5700 -0.0100 -0.3100 H 0 0 0 0 0 0 6.1800 1.9800 -0.0200 H 0 0 0 0 0 0 4.4500 0.3100 1.7900 H 0 0 0 0 0 0 4.0300 1.9000 1.0700 H 0 0 0 0 0 0 3.8700 -0.8100 -0.3300 H 0 0 0 0 0 0 3.4800 0.7800 -1.0700 H 0 0 0 0 0 0 2.1300 -0.4300 1.3800 H 0 0 0 0 0 0 1.7500 1.1600 0.6400 H 0 0 0 0 0 0 1.2100 0.0200 -1.5000 H 0 0 0 0 0 0 1.5600 -1.5600 -0.7300 H 0 0 0 0 0 0 -0.2200 -1.1100 0.9400 H 0 0 0 0 0 0 -0.9800 -0.6700 -1.9900 H 0 0 0 0 0 0 -2.1300 -2.8000 -1.7700 H 0 0 0 0 0 0 -0.3900 -2.9700 -1.4000 H 0 0 0 0 0 0 -2.6300 -2.7600 0.6500 H 0 0 0 0 0 0 -0.8800 -2.9800 1.0100 H 0 0 0 0 0 0 -2.0900 -5.1100 1.0700 H 0 0 0 0 0 0 -0.8800 -5.0800 -0.2600 H 0 0 0 0 0 0 -3.6300 -4.1500 -1.1600 H 0 0 0 0 0 0 -3.8000 -6.3700 -2.1900 H 0 0 0 0 0 0 -2.2900 -6.9500 -1.1800 H 0 0 0 0 0 0 -3.0300 -0.9200 0.0000 H 0 0 0 0 0 0 -2.6000 1.1600 0.9100 H 0 0 0 0 0 0 0.7000 3.1200 0.3600 H 0 0 0 0 0 0 1.5900 4.2100 2.4200 H 0 0 0 0 0 0 1.2400 3.1300 4.6500 H 0 0 0 0 0 0 0.0100 0.9600 4.8200 H 0 0 0 0 0 0 -0.8800 -0.1300 2.7500 H 0 0 0 0 0 0 -2.3800 3.5500 0.4800 H 0 0 0 0 0 0 -2.7400 5.3900 -1.1800 H 0 0 0 0 0 0 -2.8600 4.8500 -3.6200 H 0 0 0 0 0 0 -2.6200 2.4900 -4.4000 H 0 0 0 0 0 0 -2.2700 0.6600 -2.7400 H 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 16 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 8 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 22 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 15 23 1 0 23 28 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 29 1 1 0 30 1 1 0 31 2 1 0 32 3 1 0 33 3 1 0 34 4 1 0 35 4 1 0 36 5 1 0 37 5 1 0 38 6 1 0 39 6 1 0 40 7 1 0 41 8 1 0 42 9 1 0 43 9 1 0 44 10 1 0 45 10 1 0 46 11 1 0 47 11 1 0 48 12 1 0 49 13 1 0 50 13 1 0 51 14 1 0 52 15 1 0 53 18 1 0 54 19 1 0 55 20 1 0 56 21 1 0 57 22 1 0 58 24 1 0 59 25 1 0 60 26 1 0 61 27 1 0 62 28 1 0 M END $$$$