TDT2MOL CC(=O)NCc1cc(C)cn1C(=O)C 28 28 0 0 0 0 0 -3.0400 0.6900 0.5600 C 0 0 0 3 0 0 -2.8500 -0.7700 0.4900 C 0 0 0 0 0 0 -3.6200 -1.6300 0.2000 O 0 0 0 0 0 0 -1.5900 -1.4900 0.7900 N 0 0 0 1 0 0 -0.6600 -0.5300 1.1500 C 0 0 0 2 0 0 0.2900 -0.2600 0.0100 C 0 0 0 0 0 0 0.0800 -0.6400 -1.3300 C 0 0 0 1 0 0 1.1900 -0.2100 -2.0700 C 0 0 0 0 0 0 1.3900 -0.4000 -3.5500 C 0 0 0 3 0 0 2.0800 0.4200 -1.2000 C 0 0 0 1 0 0 1.5200 0.3900 0.0900 N 0 0 0 0 0 0 2.1400 0.9400 1.2800 C 0 0 0 0 0 0 3.2500 1.5000 1.1900 O 0 0 0 0 0 0 1.4600 0.8500 2.6100 C 0 0 0 3 0 0 -4.0300 0.9500 0.1300 H 0 0 0 0 0 0 -3.0200 1.0400 1.6000 H 0 0 0 0 0 0 -2.2600 1.2100 -0.0200 H 0 0 0 0 0 0 -1.5300 -2.4700 0.7200 H 0 0 0 0 0 0 -0.0800 -0.8800 2.0200 H 0 0 0 0 0 0 -1.1300 0.4400 1.4200 H 0 0 0 0 0 0 -0.8000 -1.1700 -1.7200 H 0 0 0 0 0 0 1.7100 -1.4300 -3.7400 H 0 0 0 0 0 0 0.4400 -0.2100 -4.0700 H 0 0 0 0 0 0 2.1500 0.3000 -3.9100 H 0 0 0 0 0 0 3.0500 0.8700 -1.4700 H 0 0 0 0 0 0 1.5200 -0.1800 2.9900 H 0 0 0 0 0 0 1.9500 1.5400 3.3200 H 0 0 0 0 0 0 0.4000 1.1400 2.5100 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 15 1 1 0 16 1 1 0 17 1 1 0 18 4 1 0 19 5 1 0 20 5 1 0 21 7 1 0 22 9 1 0 23 9 1 0 24 9 1 0 25 10 1 0 26 14 1 0 27 14 1 0 28 14 1 0 M END $$$$