TDT2MOL CCCCCCN1C(NC(CCCCC)C1c2ccccc2)c3ccccc3 66 68 0 0 0 0 0 0.8400 -1.4100 -6.2600 C 0 0 0 3 0 0 0.8900 -0.5200 -5.0600 C 0 0 0 2 0 0 -0.4200 -0.5800 -4.3300 C 0 0 0 2 0 0 -0.3600 0.3200 -3.1300 C 0 0 0 2 0 0 -1.6700 0.2500 -2.3900 C 0 0 0 2 0 0 -1.6100 1.1400 -1.1800 C 0 0 0 2 0 0 -0.5500 0.7300 -0.3300 N 0 0 0 0 0 0 -0.4900 -0.6900 -0.0200 C 0 0 0 1 0 0 -0.0500 -0.7900 1.3800 N 0 0 0 1 0 0 -0.6200 0.4200 2.0000 C 0 0 0 1 0 0 0.0100 0.7600 3.3000 C 0 0 0 2 0 0 0.2700 -0.4300 4.1600 C 0 0 0 2 0 0 1.5100 -1.1800 3.7400 C 0 0 0 2 0 0 1.6700 -2.4400 4.5300 C 0 0 0 2 0 0 1.8100 -2.1400 5.9900 C 0 0 0 3 0 0 -0.4100 1.4600 0.9100 C 0 0 0 1 0 0 -1.2700 2.6600 1.0900 C 0 0 0 0 0 0 -2.2000 2.7700 2.1200 C 0 0 0 1 0 0 -2.9900 3.9200 2.2500 C 0 0 0 1 0 0 -2.8500 4.9700 1.3400 C 0 0 0 1 0 0 -1.9200 4.8600 0.3000 C 0 0 0 1 0 0 -1.1300 3.7200 0.1700 C 0 0 0 1 0 0 0.5300 -1.3500 -0.9000 C 0 0 0 0 0 0 0.1700 -2.4800 -1.6400 C 0 0 0 1 0 0 1.1200 -3.1000 -2.4700 C 0 0 0 1 0 0 2.4200 -2.5900 -2.5500 C 0 0 0 1 0 0 2.7700 -1.4600 -1.8000 C 0 0 0 1 0 0 1.8300 -0.8400 -0.9800 C 0 0 0 1 0 0 1.8000 -1.3700 -6.7900 H 0 0 0 0 0 0 0.0300 -1.0800 -6.9300 H 0 0 0 0 0 0 0.6400 -2.4500 -5.9400 H 0 0 0 0 0 0 1.7000 -0.8500 -4.3900 H 0 0 0 0 0 0 1.0900 0.5200 -5.3800 H 0 0 0 0 0 0 -0.6100 -1.6100 -4.0100 H 0 0 0 0 0 0 -1.2300 -0.2500 -5.0000 H 0 0 0 0 0 0 -0.1800 1.3500 -3.4500 H 0 0 0 0 0 0 0.4500 -0.0100 -2.4600 H 0 0 0 0 0 0 -2.4800 0.5700 -3.0500 H 0 0 0 0 0 0 -1.8500 -0.7900 -2.0700 H 0 0 0 0 0 0 -2.5800 1.0900 -0.6500 H 0 0 0 0 0 0 -1.4400 2.1800 -1.5100 H 0 0 0 0 0 0 -1.4600 -1.1900 -0.1600 H 0 0 0 0 0 0 -0.3400 -1.6200 1.8200 H 0 0 0 0 0 0 -1.7100 0.2400 2.0900 H 0 0 0 0 0 0 -0.6400 1.5000 3.8300 H 0 0 0 0 0 0 0.9700 1.3100 3.1400 H 0 0 0 0 0 0 -0.6000 -1.1200 4.1400 H 0 0 0 0 0 0 0.4100 -0.1300 5.2200 H 0 0 0 0 0 0 2.4000 -0.5400 3.8800 H 0 0 0 0 0 0 1.4400 -1.4200 2.6700 H 0 0 0 0 0 0 2.5700 -2.9700 4.1800 H 0 0 0 0 0 0 0.8000 -3.0900 4.3700 H 0 0 0 0 0 0 2.0000 -3.0700 6.5500 H 0 0 0 0 0 0 0.8900 -1.6800 6.3800 H 0 0 0 0 0 0 2.6500 -1.4500 6.1500 H 0 0 0 0 0 0 0.6500 1.7900 0.9500 H 0 0 0 0 0 0 -2.3300 1.9600 2.8600 H 0 0 0 0 0 0 -3.7200 3.9900 3.0700 H 0 0 0 0 0 0 -3.4700 5.8700 1.4300 H 0 0 0 0 0 0 -1.8100 5.6900 -0.4300 H 0 0 0 0 0 0 -0.4000 3.6400 -0.6500 H 0 0 0 0 0 0 -0.8500 -2.8800 -1.5800 H 0 0 0 0 0 0 0.8400 -3.9900 -3.0500 H 0 0 0 0 0 0 3.1600 -3.0800 -3.2000 H 0 0 0 0 0 0 3.8000 -1.0600 -1.8700 H 0 0 0 0 0 0 2.1100 0.0500 -0.3900 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 13 14 1 0 14 15 1 0 10 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 8 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 8 1 0 43 9 1 0 44 10 1 0 45 11 1 0 46 11 1 0 47 12 1 0 48 12 1 0 49 13 1 0 50 13 1 0 51 14 1 0 52 14 1 0 53 15 1 0 54 15 1 0 55 15 1 0 56 16 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 $$$$