TDT2MOL CC(C)N(C(C)C)C(Cc1ccccc1)c2cccs2 45 46 0 0 0 0 0 1.4200 -3.1000 0.6000 C 0 0 0 3 0 0 0.9500 -1.8900 1.3400 C 0 0 0 1 0 0 1.7300 -1.7500 2.6200 C 0 0 0 3 0 0 0.9900 -0.6900 0.5800 N 0 0 0 0 0 0 2.1100 -0.3200 -0.2000 C 0 0 0 1 0 0 3.4300 -0.4500 0.4900 C 0 0 0 3 0 0 2.1500 -1.0600 -1.5100 C 0 0 0 3 0 0 -0.2400 0.0500 0.4400 C 0 0 0 1 0 0 -1.1600 -0.6600 -0.5100 C 0 0 0 2 0 0 -2.4700 0.0700 -0.6100 C 0 0 0 0 0 0 -3.3000 0.1800 0.5100 C 0 0 0 1 0 0 -4.5200 0.8600 0.4100 C 0 0 0 1 0 0 -4.9000 1.4400 -0.8100 C 0 0 0 1 0 0 -4.0700 1.3300 -1.9300 C 0 0 0 1 0 0 -2.8500 0.6500 -1.8300 C 0 0 0 1 0 0 -0.0100 1.4400 -0.0700 C 0 0 0 0 0 0 0.9000 2.3800 0.3900 C 0 0 0 1 0 0 0.8900 3.6000 -0.2700 C 0 0 0 1 0 0 -0.0200 3.7400 -1.3100 C 0 0 0 1 0 0 -0.8400 2.2200 -1.3700 S 0 0 0 0 0 0 2.5000 -3.0600 0.4100 H 0 0 0 0 0 0 1.2400 -4.0300 1.1700 H 0 0 0 0 0 0 0.8800 -3.1700 -0.3600 H 0 0 0 0 0 0 -0.1100 -2.1100 1.6500 H 0 0 0 0 0 0 1.3500 -0.9000 3.2000 H 0 0 0 0 0 0 1.6500 -2.6700 3.2300 H 0 0 0 0 0 0 2.8000 -1.5900 2.4000 H 0 0 0 0 0 0 2.0100 0.7700 -0.4600 H 0 0 0 0 0 0 3.3900 0.0700 1.4600 H 0 0 0 0 0 0 3.7000 -1.5100 0.6400 H 0 0 0 0 0 0 4.2500 0.0000 -0.1100 H 0 0 0 0 0 0 2.2800 -2.1400 -1.3400 H 0 0 0 0 0 0 2.9900 -0.7000 -2.1400 H 0 0 0 0 0 0 1.2100 -0.9000 -2.0600 H 0 0 0 0 0 0 -0.7300 0.1100 1.4300 H 0 0 0 0 0 0 -0.7000 -0.7200 -1.5100 H 0 0 0 0 0 0 -1.3500 -1.6800 -0.1400 H 0 0 0 0 0 0 -3.0000 -0.2700 1.4600 H 0 0 0 0 0 0 -5.1700 0.9500 1.2900 H 0 0 0 0 0 0 -5.8600 1.9700 -0.8900 H 0 0 0 0 0 0 -4.3700 1.7800 -2.8900 H 0 0 0 0 0 0 -2.1900 0.5600 -2.7100 H 0 0 0 0 0 0 1.6000 2.1900 1.2300 H 0 0 0 0 0 0 1.5900 4.4200 0.0200 H 0 0 0 0 0 0 -0.1800 4.6100 -1.9500 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 8 16 1 0 16 20 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 1 1 0 22 1 1 0 23 1 1 0 24 2 1 0 25 3 1 0 26 3 1 0 27 3 1 0 28 5 1 0 29 6 1 0 30 6 1 0 31 6 1 0 32 7 1 0 33 7 1 0 34 7 1 0 35 8 1 0 36 9 1 0 37 9 1 0 38 11 1 0 39 12 1 0 40 13 1 0 41 14 1 0 42 15 1 0 43 17 1 0 44 18 1 0 45 19 1 0 M END $$$$