TDT2MOL S=C1NC2CCCCC2C3CCCCC3NC(=S)NC4CCCCC4C5CCCCC5N1 76 80 0 0 0 0 0 -0.4700 0.6300 3.3600 S 0 0 0 0 0 0 -0.0400 0.9400 1.7500 C 0 0 0 0 0 0 1.2800 0.5800 1.2500 N 0 0 0 1 0 0 1.5900 0.8800 -0.1500 C 0 0 0 1 0 0 1.5600 2.3300 -0.4800 C 0 0 0 2 0 0 2.9200 2.9000 -0.8300 C 0 0 0 2 0 0 3.8800 2.4900 0.2700 C 0 0 0 2 0 0 3.9600 1.0100 0.4100 C 0 0 0 2 0 0 2.9500 0.2400 -0.4200 C 0 0 0 1 0 0 2.9600 -1.2200 -0.1600 C 0 0 0 1 0 0 4.3700 -1.7300 -0.0400 C 0 0 0 2 0 0 4.3900 -3.2000 0.2100 C 0 0 0 2 0 0 3.7100 -3.9200 -0.9100 C 0 0 0 2 0 0 2.2900 -3.4500 -1.0000 C 0 0 0 2 0 0 2.2500 -1.9700 -1.2500 C 0 0 0 1 0 0 0.8500 -1.5700 -1.3500 N 0 0 0 1 0 0 0.0100 -1.4100 -0.1900 C 0 0 0 0 0 0 0.5600 -1.6500 1.4000 S 0 0 0 0 0 0 -1.3900 -1.0100 -0.3700 N 0 0 0 1 0 0 -2.1600 -0.8700 0.8400 C 0 0 0 1 0 0 -2.4600 -2.2800 1.3100 C 0 0 0 2 0 0 -3.2900 -2.9700 0.2700 C 0 0 0 2 0 0 -4.5600 -2.2200 0.0600 C 0 0 0 2 0 0 -4.2800 -0.8000 -0.3600 C 0 0 0 2 0 0 -3.4400 -0.1100 0.6800 C 0 0 0 1 0 0 -3.3000 1.3300 0.3800 C 0 0 0 1 0 0 -2.9700 1.6400 -1.0800 C 0 0 0 2 0 0 -2.7500 3.1000 -1.3200 C 0 0 0 2 0 0 -3.2000 3.9500 -0.1400 C 0 0 0 2 0 0 -2.4200 3.5400 1.0900 C 0 0 0 2 0 0 -2.2900 2.0500 1.2400 C 0 0 0 1 0 0 -0.9500 1.5900 0.8400 N 0 0 0 1 0 0 1.9400 0.1500 1.8500 H 0 0 0 0 0 0 0.8500 0.3100 -0.7400 H 0 0 0 0 0 0 1.1500 2.9500 0.3500 H 0 0 0 0 0 0 0.9000 2.5900 -1.3400 H 0 0 0 0 0 0 2.8900 3.9800 -0.9600 H 0 0 0 0 0 0 3.2900 2.4300 -1.7600 H 0 0 0 0 0 0 3.5100 3.0100 1.1900 H 0 0 0 0 0 0 4.8500 2.9800 0.0500 H 0 0 0 0 0 0 4.9700 0.6200 0.1200 H 0 0 0 0 0 0 3.8300 0.6700 1.4600 H 0 0 0 0 0 0 3.1800 0.4600 -1.4900 H 0 0 0 0 0 0 2.4400 -1.4500 0.7900 H 0 0 0 0 0 0 4.9100 -1.5000 -0.9800 H 0 0 0 0 0 0 4.8700 -1.2200 0.8000 H 0 0 0 0 0 0 5.4300 -3.5500 0.2900 H 0 0 0 0 0 0 3.8700 -3.4300 1.1600 H 0 0 0 0 0 0 4.2300 -3.6900 -1.8600 H 0 0 0 0 0 0 3.7400 -5.0000 -0.7300 H 0 0 0 0 0 0 1.7900 -3.9800 -1.8200 H 0 0 0 0 0 0 1.7700 -3.6900 -0.0500 H 0 0 0 0 0 0 2.7500 -1.7500 -2.2100 H 0 0 0 0 0 0 0.4700 -1.4100 -2.2600 H 0 0 0 0 0 0 -1.7500 -0.8900 -1.2900 H 0 0 0 0 0 0 -1.5300 -0.3800 1.6100 H 0 0 0 0 0 0 -1.5300 -2.8300 1.4900 H 0 0 0 0 0 0 -3.0300 -2.2200 2.2600 H 0 0 0 0 0 0 -2.7200 -3.0100 -0.6700 H 0 0 0 0 0 0 -3.5100 -4.0000 0.6000 H 0 0 0 0 0 0 -5.1400 -2.2100 1.0000 H 0 0 0 0 0 0 -5.1600 -2.7100 -0.7200 H 0 0 0 0 0 0 -5.2400 -0.2700 -0.4900 H 0 0 0 0 0 0 -3.7400 -0.8000 -1.3200 H 0 0 0 0 0 0 -3.9800 -0.2000 1.6600 H 0 0 0 0 0 0 -4.3000 1.8300 0.5400 H 0 0 0 0 0 0 -3.7700 1.1900 -1.7100 H 0 0 0 0 0 0 -2.0600 1.0400 -1.3100 H 0 0 0 0 0 0 -1.6800 3.3700 -1.4700 H 0 0 0 0 0 0 -3.2700 3.4700 -2.2200 H 0 0 0 0 0 0 -4.2800 3.7400 -0.0100 H 0 0 0 0 0 0 -3.0900 5.0200 -0.3600 H 0 0 0 0 0 0 -1.4300 4.0500 1.0900 H 0 0 0 0 0 0 -2.9400 4.0000 1.9700 H 0 0 0 0 0 0 -2.4100 1.7100 2.2800 H 0 0 0 0 0 0 -0.6600 1.7600 -0.1000 H 0 0 0 0 0 0 1 2 2 0 2 32 1 0 2 3 1 0 3 4 1 0 4 9 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 31 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 33 3 1 0 34 4 1 0 35 5 1 0 36 5 1 0 37 6 1 0 38 6 1 0 39 7 1 0 40 7 1 0 41 8 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 16 1 0 55 19 1 0 56 20 1 0 57 21 1 0 58 21 1 0 59 22 1 0 60 22 1 0 61 23 1 0 62 23 1 0 63 24 1 0 64 24 1 0 65 25 1 0 66 26 1 0 67 27 1 0 68 27 1 0 69 28 1 0 70 28 1 0 71 29 1 0 72 29 1 0 73 30 1 0 74 30 1 0 75 31 1 0 76 32 1 0 M END $$$$