TDT2MOL CC(C)N(CC(Cc1cccs1)c2ccccc2)C(C)C 48 49 0 0 0 0 0 2.6900 1.5500 2.0000 C 0 0 0 3 0 0 2.9100 0.2700 1.2400 C 0 0 0 1 0 0 2.6300 -0.8900 2.1600 C 0 0 0 3 0 0 2.1000 0.2600 0.0600 N 0 0 0 0 0 0 1.1500 -0.7800 -0.1600 C 0 0 0 2 0 0 -0.2300 -0.2300 -0.4000 C 0 0 0 1 0 0 -0.6500 0.5900 0.7900 C 0 0 0 2 0 0 -2.0100 1.1500 0.5700 C 0 0 0 0 0 0 -3.0900 1.1300 1.4500 C 0 0 0 1 0 0 -4.2600 1.7300 0.9900 C 0 0 0 1 0 0 -4.2100 2.2700 -0.2900 C 0 0 0 1 0 0 -2.6100 1.9600 -0.8400 S 0 0 0 0 0 0 -1.2100 -1.3500 -0.6000 C 0 0 0 0 0 0 -0.7700 -2.6700 -0.6100 C 0 0 0 1 0 0 -1.6800 -3.7100 -0.8000 C 0 0 0 1 0 0 -3.0400 -3.4300 -0.9900 C 0 0 0 1 0 0 -3.4800 -2.1000 -0.9800 C 0 0 0 1 0 0 -2.5700 -1.0600 -0.7900 C 0 0 0 1 0 0 2.5800 0.9800 -1.0800 C 0 0 0 1 0 0 2.4000 0.2200 -2.3700 C 0 0 0 3 0 0 1.8500 2.3000 -1.2100 C 0 0 0 3 0 0 1.6300 1.6200 2.2900 H 0 0 0 0 0 0 3.3200 1.5700 2.9100 H 0 0 0 0 0 0 2.9600 2.4100 1.3800 H 0 0 0 0 0 0 3.9800 0.2200 0.9500 H 0 0 0 0 0 0 1.5900 -0.8500 2.5000 H 0 0 0 0 0 0 2.8200 -1.8400 1.6300 H 0 0 0 0 0 0 3.2900 -0.8400 3.0400 H 0 0 0 0 0 0 1.1000 -1.4800 0.6800 H 0 0 0 0 0 0 1.4400 -1.3700 -1.0600 H 0 0 0 0 0 0 -0.2300 0.4000 -1.3000 H 0 0 0 0 0 0 0.0700 1.4100 0.9400 H 0 0 0 0 0 0 -0.6600 -0.0500 1.6900 H 0 0 0 0 0 0 -3.0300 0.6700 2.4600 H 0 0 0 0 0 0 -5.1800 1.7600 1.6200 H 0 0 0 0 0 0 -5.0200 2.7800 -0.8300 H 0 0 0 0 0 0 0.3000 -2.9000 -0.4700 H 0 0 0 0 0 0 -1.3400 -4.7600 -0.8100 H 0 0 0 0 0 0 -3.7600 -4.2500 -1.1400 H 0 0 0 0 0 0 -4.5500 -1.8700 -1.1200 H 0 0 0 0 0 0 -2.9200 -0.0100 -0.7800 H 0 0 0 0 0 0 3.6600 1.2200 -0.9900 H 0 0 0 0 0 0 2.9500 -0.7300 -2.3000 H 0 0 0 0 0 0 1.3300 0.0100 -2.5100 H 0 0 0 0 0 0 2.7700 0.8000 -3.2200 H 0 0 0 0 0 0 2.2200 2.8600 -2.0800 H 0 0 0 0 0 0 0.7700 2.1200 -1.3300 H 0 0 0 0 0 0 2.0000 2.9000 -0.3000 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 6 7 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 6 13 1 0 13 18 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 4 19 1 0 19 20 1 0 19 21 1 0 22 1 1 0 23 1 1 0 24 1 1 0 25 2 1 0 26 3 1 0 27 3 1 0 28 3 1 0 29 5 1 0 30 5 1 0 31 6 1 0 32 7 1 0 33 7 1 0 34 9 1 0 35 10 1 0 36 11 1 0 37 14 1 0 38 15 1 0 39 16 1 0 40 17 1 0 41 18 1 0 42 19 1 0 43 20 1 0 44 20 1 0 45 20 1 0 46 21 1 0 47 21 1 0 48 21 1 0 M END $$$$