TDT2MOL CCCCCCNC(C(N)CCCCC)c1ccccc1 55 55 0 0 0 0 0 6.2100 -0.4700 -0.7100 C 0 0 0 3 0 0 5.6600 -1.8600 -0.5900 C 0 0 0 2 0 0 4.1600 -1.8100 -0.4500 C 0 0 0 2 0 0 3.7800 -1.0600 0.7800 C 0 0 0 2 0 0 2.3000 -1.1400 1.0300 C 0 0 0 2 0 0 1.5400 -0.5100 -0.1000 C 0 0 0 2 0 0 0.1100 -0.6300 0.1000 N 0 0 0 1 0 0 -0.3900 0.2300 1.1300 C 0 0 0 1 0 0 -1.8300 -0.0400 1.4200 C 0 0 0 1 0 0 -2.0100 -1.4000 1.8800 N 0 0 0 2 0 0 -2.6600 0.1900 0.1800 C 0 0 0 2 0 0 -4.1000 -0.0800 0.4700 C 0 0 0 2 0 0 -4.9500 0.2700 -0.7100 C 0 0 0 2 0 0 -4.5200 -0.4800 -1.9300 C 0 0 0 2 0 0 -4.5900 -1.9600 -1.6900 C 0 0 0 3 0 0 -0.2500 1.6600 0.6600 C 0 0 0 0 0 0 -0.1200 1.9400 -0.7000 C 0 0 0 1 0 0 0.0100 3.2700 -1.1300 C 0 0 0 1 0 0 0.0000 4.3100 -0.2000 C 0 0 0 1 0 0 -0.1200 4.0300 1.1600 C 0 0 0 1 0 0 -0.2500 2.7000 1.6000 C 0 0 0 1 0 0 5.7600 0.0300 -1.5800 H 0 0 0 0 0 0 7.3000 -0.5200 -0.8500 H 0 0 0 0 0 0 5.9900 0.1000 0.2000 H 0 0 0 0 0 0 5.9300 -2.4400 -1.4800 H 0 0 0 0 0 0 6.0900 -2.3500 0.3000 H 0 0 0 0 0 0 3.7400 -1.3300 -1.3400 H 0 0 0 0 0 0 3.7800 -2.8500 -0.3800 H 0 0 0 0 0 0 4.3000 -1.4900 1.6600 H 0 0 0 0 0 0 4.0600 0.0000 0.6900 H 0 0 0 0 0 0 2.0500 -0.6200 1.9600 H 0 0 0 0 0 0 2.0000 -2.2000 1.1200 H 0 0 0 0 0 0 1.8000 -1.0200 -1.0400 H 0 0 0 0 0 0 1.8300 0.5500 -0.1900 H 0 0 0 0 0 0 -0.1300 -1.5900 0.2400 H 0 0 0 0 0 0 0.2000 0.1100 2.0500 H 0 0 0 0 0 0 -2.1800 0.6400 2.2100 H 0 0 0 0 0 0 -1.8300 -2.0600 1.1500 H 0 0 0 0 0 0 -1.4200 -1.5800 2.6600 H 0 0 0 0 0 0 -2.5300 1.2400 -0.1400 H 0 0 0 0 0 0 -2.3000 -0.4800 -0.6100 H 0 0 0 0 0 0 -4.4300 0.5300 1.3400 H 0 0 0 0 0 0 -4.2300 -1.1400 0.7300 H 0 0 0 0 0 0 -4.8800 1.3600 -0.9100 H 0 0 0 0 0 0 -6.0100 0.0300 -0.4800 H 0 0 0 0 0 0 -3.4800 -0.2000 -2.1900 H 0 0 0 0 0 0 -5.1700 -0.2100 -2.7800 H 0 0 0 0 0 0 -5.6100 -2.2300 -1.4000 H 0 0 0 0 0 0 -3.8900 -2.2400 -0.8900 H 0 0 0 0 0 0 -4.3200 -2.5000 -2.6100 H 0 0 0 0 0 0 -0.1200 1.1200 -1.4300 H 0 0 0 0 0 0 0.1000 3.4900 -2.2100 H 0 0 0 0 0 0 0.1000 5.3500 -0.5400 H 0 0 0 0 0 0 -0.1200 4.8500 1.9000 H 0 0 0 0 0 0 -0.3500 2.4800 2.6700 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 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 8 16 1 0 16 21 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 22 1 1 0 23 1 1 0 24 1 1 0 25 2 1 0 26 2 1 0 27 3 1 0 28 3 1 0 29 4 1 0 30 4 1 0 31 5 1 0 32 5 1 0 33 6 1 0 34 6 1 0 35 7 1 0 36 8 1 0 37 9 1 0 38 10 1 0 39 10 1 0 40 11 1 0 41 11 1 0 42 12 1 0 43 12 1 0 44 13 1 0 45 13 1 0 46 14 1 0 47 14 1 0 48 15 1 0 49 15 1 0 50 15 1 0 51 17 1 0 52 18 1 0 53 19 1 0 54 20 1 0 55 21 1 0 M END $$$$