TDT2MOL COC(=O)Cc1c(C)c2C(=O)c3ccccc3C(=O)n2c1C 37 39 0 0 0 0 0 -5.4200 -1.1700 -0.5000 C 0 0 0 3 0 0 -4.4400 -0.6300 0.2600 O 0 0 0 0 0 0 -3.6900 0.1900 -0.5100 C 0 0 0 0 0 0 -3.7000 0.0300 -1.7500 O 0 0 0 0 0 0 -2.8700 1.2700 0.1200 C 0 0 0 2 0 0 -1.4200 0.8800 0.1400 C 0 0 0 0 0 0 -0.3800 1.5500 -0.5300 C 0 0 0 0 0 0 -0.5300 2.7700 -1.3900 C 0 0 0 3 0 0 0.8000 0.8700 -0.2600 C 0 0 0 0 0 0 2.2100 1.1300 -0.7000 C 0 0 0 0 0 0 2.4900 2.1200 -1.4000 O 0 0 0 0 0 0 3.2600 0.1500 -0.2700 C 0 0 0 0 0 0 4.5800 0.3200 -0.7100 C 0 0 0 1 0 0 5.5700 -0.5800 -0.3200 C 0 0 0 1 0 0 5.2500 -1.6600 0.5200 C 0 0 0 1 0 0 3.9300 -1.8300 0.9600 C 0 0 0 1 0 0 2.9300 -0.9200 0.5600 C 0 0 0 0 0 0 1.5300 -1.1300 1.0500 C 0 0 0 0 0 0 1.2500 -2.0600 1.8400 O 0 0 0 0 0 0 0.4900 -0.2200 0.5800 N 0 0 0 0 0 0 -0.8800 -0.2100 0.8200 C 0 0 0 0 0 0 -1.6400 -1.1900 1.6600 C 0 0 0 3 0 0 -6.0400 -1.8400 0.1200 H 0 0 0 0 0 0 -4.9800 -1.7400 -1.3300 H 0 0 0 0 0 0 -6.0600 -0.3600 -0.9000 H 0 0 0 0 0 0 -3.2100 1.4400 1.1500 H 0 0 0 0 0 0 -2.9900 2.2100 -0.4600 H 0 0 0 0 0 0 -1.5400 2.8100 -1.8100 H 0 0 0 0 0 0 0.2100 2.7300 -2.2000 H 0 0 0 0 0 0 -0.3500 3.6700 -0.7700 H 0 0 0 0 0 0 4.8300 1.1700 -1.3700 H 0 0 0 0 0 0 6.6100 -0.4500 -0.6600 H 0 0 0 0 0 0 6.0200 -2.3700 0.8300 H 0 0 0 0 0 0 3.6700 -2.6700 1.6100 H 0 0 0 0 0 0 -2.0900 -0.6700 2.5200 H 0 0 0 0 0 0 -2.4400 -1.6500 1.0600 H 0 0 0 0 0 0 -0.9600 -1.9700 2.0300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 21 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 20 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 23 1 1 0 24 1 1 0 25 1 1 0 26 5 1 0 27 5 1 0 28 8 1 0 29 8 1 0 30 8 1 0 31 13 1 0 32 14 1 0 33 15 1 0 34 16 1 0 35 22 1 0 36 22 1 0 37 22 1 0 M END $$$$