TDT2MOL CC(C)N(C(C)C)C(Cc1cccs1)c2ccccc2 45 46 0 0 0 0 0 2.6100 0.0800 0.6100 C 0 0 0 3 0 0 1.5100 -0.1300 -0.4000 C 0 0 0 1 0 0 1.9100 -1.2000 -1.3600 C 0 0 0 3 0 0 0.2600 -0.3500 0.2500 N 0 0 0 0 0 0 -0.1000 -1.6000 0.7900 C 0 0 0 1 0 0 0.9600 -2.2400 1.6500 C 0 0 0 3 0 0 -0.5300 -2.5800 -0.2700 C 0 0 0 3 0 0 -0.6400 0.7700 0.4000 C 0 0 0 1 0 0 -1.5800 0.8200 -0.7700 C 0 0 0 2 0 0 -2.3900 -0.4400 -0.8000 C 0 0 0 0 0 0 -2.9900 -1.0400 -1.9100 C 0 0 0 1 0 0 -3.6900 -2.2100 -1.6600 C 0 0 0 1 0 0 -3.7100 -2.6500 -0.3400 C 0 0 0 1 0 0 -2.7900 -1.4700 0.5300 S 0 0 0 0 0 0 0.1100 2.0700 0.5100 C 0 0 0 0 0 0 0.5000 2.7900 -0.6200 C 0 0 0 1 0 0 1.1900 4.0000 -0.4700 C 0 0 0 1 0 0 1.4900 4.4900 0.8000 C 0 0 0 1 0 0 1.1100 3.7700 1.9400 C 0 0 0 1 0 0 0.4200 2.5600 1.7900 C 0 0 0 1 0 0 2.7500 -0.8300 1.2100 H 0 0 0 0 0 0 2.3500 0.9100 1.2800 H 0 0 0 0 0 0 3.5600 0.3100 0.1000 H 0 0 0 0 0 0 1.4500 0.8200 -1.0000 H 0 0 0 0 0 0 2.1700 -2.1400 -0.8500 H 0 0 0 0 0 0 2.8100 -0.9100 -1.9400 H 0 0 0 0 0 0 1.0900 -1.3800 -2.0800 H 0 0 0 0 0 0 -0.9900 -1.4600 1.4700 H 0 0 0 0 0 0 1.3000 -1.5100 2.4000 H 0 0 0 0 0 0 1.8100 -2.5700 1.0400 H 0 0 0 0 0 0 0.5800 -3.1300 2.1800 H 0 0 0 0 0 0 -0.8800 -3.5200 0.1900 H 0 0 0 0 0 0 -1.3500 -2.1400 -0.8600 H 0 0 0 0 0 0 0.3100 -2.8100 -0.9400 H 0 0 0 0 0 0 -1.2200 0.6600 1.3300 H 0 0 0 0 0 0 -1.0200 0.9100 -1.7100 H 0 0 0 0 0 0 -2.2600 1.6800 -0.6700 H 0 0 0 0 0 0 -2.9200 -0.6100 -2.9300 H 0 0 0 0 0 0 -4.2000 -2.7600 -2.4800 H 0 0 0 0 0 0 -4.2100 -3.5400 0.0600 H 0 0 0 0 0 0 0.2700 2.4300 -1.6300 H 0 0 0 0 0 0 1.4900 4.5700 -1.3700 H 0 0 0 0 0 0 2.0400 5.4400 0.9100 H 0 0 0 0 0 0 1.3500 4.1400 2.9400 H 0 0 0 0 0 0 0.1100 1.9900 2.6800 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 14 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 8 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 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 16 1 0 42 17 1 0 43 18 1 0 44 19 1 0 45 20 1 0 M END $$$$