TDT2MOL CCCCCCC1C(CCCCC)NC(N1c2ccccc2)c3ccccc3 66 68 0 0 0 0 0 -5.3900 0.3600 1.4500 C 0 0 0 3 0 0 -4.2400 0.5900 0.5100 C 0 0 0 2 0 0 -3.0700 -0.2400 0.9200 C 0 0 0 2 0 0 -1.9500 -0.1100 -0.0600 C 0 0 0 2 0 0 -1.4600 1.3100 -0.1400 C 0 0 0 2 0 0 -0.3300 1.4300 -1.1100 C 0 0 0 2 0 0 0.7900 0.5000 -0.8500 C 0 0 0 1 0 0 1.3400 0.4500 0.5400 C 0 0 0 1 0 0 2.5600 1.3100 0.7500 C 0 0 0 2 0 0 2.2300 2.7500 0.5300 C 0 0 0 2 0 0 3.4200 3.6200 0.7900 C 0 0 0 2 0 0 3.8200 3.5600 2.2400 C 0 0 0 2 0 0 4.9500 4.5200 2.5000 C 0 0 0 3 0 0 1.6000 -0.9400 0.8600 N 0 0 0 1 0 0 0.9300 -1.8000 -0.0800 C 0 0 0 1 0 0 0.3500 -0.9000 -1.1000 N 0 0 0 0 0 0 0.3000 -1.3800 -2.4200 C 0 0 0 0 0 0 0.5000 -0.5300 -3.5100 C 0 0 0 1 0 0 0.4500 -1.0400 -4.8100 C 0 0 0 1 0 0 0.2100 -2.4000 -5.0300 C 0 0 0 1 0 0 0.0200 -3.2500 -3.9300 C 0 0 0 1 0 0 0.0600 -2.7400 -2.6300 C 0 0 0 1 0 0 -0.1800 -2.5500 0.6000 C 0 0 0 0 0 0 0.0200 -3.0800 1.8800 C 0 0 0 1 0 0 -1.0100 -3.7700 2.5200 C 0 0 0 1 0 0 -2.2400 -3.9400 1.8800 C 0 0 0 1 0 0 -2.4500 -3.4100 0.6000 C 0 0 0 1 0 0 -1.4100 -2.7100 -0.0400 C 0 0 0 1 0 0 -5.6700 -0.7100 1.4300 H 0 0 0 0 0 0 -5.1000 0.6400 2.4700 H 0 0 0 0 0 0 -6.2600 0.9600 1.1300 H 0 0 0 0 0 0 -3.9900 1.6600 0.5300 H 0 0 0 0 0 0 -4.5500 0.3100 -0.5100 H 0 0 0 0 0 0 -2.7200 0.0800 1.9200 H 0 0 0 0 0 0 -3.3700 -1.3000 0.9800 H 0 0 0 0 0 0 -1.1100 -0.7500 0.2500 H 0 0 0 0 0 0 -2.2900 -0.4300 -1.0600 H 0 0 0 0 0 0 -2.2900 1.9600 -0.4600 H 0 0 0 0 0 0 -1.1600 1.6400 0.8700 H 0 0 0 0 0 0 -0.7100 1.2500 -2.1400 H 0 0 0 0 0 0 0.0400 2.4700 -1.0900 H 0 0 0 0 0 0 1.6000 0.6500 -1.6000 H 0 0 0 0 0 0 0.5800 0.7800 1.2800 H 0 0 0 0 0 0 3.3400 0.9900 0.0400 H 0 0 0 0 0 0 2.9300 1.1600 1.7700 H 0 0 0 0 0 0 1.4000 3.0500 1.2000 H 0 0 0 0 0 0 1.9000 2.8900 -0.5200 H 0 0 0 0 0 0 4.2600 3.2900 0.1600 H 0 0 0 0 0 0 3.1700 4.6700 0.5400 H 0 0 0 0 0 0 2.9600 3.8300 2.8700 H 0 0 0 0 0 0 4.1600 2.5400 2.5000 H 0 0 0 0 0 0 5.2300 4.4800 3.5600 H 0 0 0 0 0 0 4.6200 5.5400 2.2500 H 0 0 0 0 0 0 5.8200 4.2500 1.8800 H 0 0 0 0 0 0 2.5300 -1.1900 1.0700 H 0 0 0 0 0 0 1.5900 -2.5100 -0.6000 H 0 0 0 0 0 0 0.6900 0.5400 -3.3700 H 0 0 0 0 0 0 0.6000 -0.3600 -5.6700 H 0 0 0 0 0 0 0.1700 -2.8000 -6.0500 H 0 0 0 0 0 0 -0.1700 -4.3200 -4.1000 H 0 0 0 0 0 0 -0.0900 -3.4200 -1.7700 H 0 0 0 0 0 0 0.9900 -2.9500 2.3800 H 0 0 0 0 0 0 -0.8500 -4.1900 3.5300 H 0 0 0 0 0 0 -3.0600 -4.4800 2.3900 H 0 0 0 0 0 0 -3.4200 -3.5300 0.1000 H 0 0 0 0 0 0 -1.5700 -2.2900 -1.0400 H 0 0 0 0 0 0 1 2 1 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 1 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 1 1 0 32 2 1 0 33 2 1 0 34 3 1 0 35 3 1 0 36 4 1 0 37 4 1 0 38 5 1 0 39 5 1 0 40 6 1 0 41 6 1 0 42 7 1 0 43 8 1 0 44 9 1 0 45 9 1 0 46 10 1 0 47 10 1 0 48 11 1 0 49 11 1 0 50 12 1 0 51 12 1 0 52 13 1 0 53 13 1 0 54 13 1 0 55 14 1 0 56 15 1 0 57 18 1 0 58 19 1 0 59 20 1 0 60 21 1 0 61 22 1 0 62 24 1 0 63 25 1 0 64 26 1 0 65 27 1 0 66 28 1 0 M END $$$$