TDT2MOL CC1(C)OCC(O1)C2C=CC(=O)N2Cc3ccccc3 39 41 0 0 0 0 0 4.5000 0.4500 1.1900 C 0 0 0 3 0 0 3.6600 -0.2600 0.1600 C 0 0 0 0 0 0 4.5500 -0.8000 -0.9200 C 0 0 0 3 0 0 3.0100 -1.2900 0.7600 O 0 0 0 0 0 0 1.6800 -1.1700 0.4400 C 0 0 0 2 0 0 1.5300 0.2500 0.0100 C 0 0 0 1 0 0 2.7900 0.6200 -0.3800 O 0 0 0 0 0 0 0.5900 0.4800 -1.1100 C 0 0 0 1 0 0 0.6300 1.9400 -1.5400 C 0 0 0 1 0 0 -0.5700 2.5600 -1.3800 C 0 0 0 1 0 0 -1.5600 1.5400 -0.8200 C 0 0 0 0 0 0 -2.7300 1.7300 -0.5500 O 0 0 0 0 0 0 -0.8100 0.2800 -0.6700 N 0 0 0 0 0 0 -1.3700 -0.9300 -0.1800 C 0 0 0 2 0 0 -2.7900 -0.7000 0.2600 C 0 0 0 0 0 0 -3.0400 0.1000 1.3800 C 0 0 0 1 0 0 -4.3600 0.3200 1.8000 C 0 0 0 1 0 0 -5.4200 -0.2600 1.1000 C 0 0 0 1 0 0 -5.1700 -1.0600 -0.0200 C 0 0 0 1 0 0 -3.8500 -1.2800 -0.4400 C 0 0 0 1 0 0 5.2200 -0.2600 1.6300 H 0 0 0 0 0 0 3.8500 0.8400 1.9800 H 0 0 0 0 0 0 5.0500 1.2700 0.7100 H 0 0 0 0 0 0 5.2700 -1.5100 -0.4800 H 0 0 0 0 0 0 5.1000 0.0200 -1.3900 H 0 0 0 0 0 0 3.9400 -1.3200 -1.6700 H 0 0 0 0 0 0 1.0900 -1.4500 1.3200 H 0 0 0 0 0 0 1.4800 -1.8800 -0.3700 H 0 0 0 0 0 0 1.2700 0.9100 0.8600 H 0 0 0 0 0 0 0.7900 -0.1600 -1.9700 H 0 0 0 0 0 0 1.5200 2.4200 -1.9200 H 0 0 0 0 0 0 -0.8000 3.5900 -1.6100 H 0 0 0 0 0 0 -0.8000 -1.3200 0.6700 H 0 0 0 0 0 0 -1.3800 -1.7000 -0.9800 H 0 0 0 0 0 0 -2.2100 0.5600 1.9300 H 0 0 0 0 0 0 -4.5600 0.9500 2.6800 H 0 0 0 0 0 0 -6.4600 -0.0800 1.4200 H 0 0 0 0 0 0 -6.0000 -1.5100 -0.5800 H 0 0 0 0 0 0 -3.6500 -1.9100 -1.3200 H 0 0 0 0 0 0 1 2 1 0 2 7 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 13 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 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 3 1 0 25 3 1 0 26 3 1 0 27 5 1 0 28 5 1 0 29 6 1 0 30 8 1 0 31 9 1 0 32 10 1 0 33 14 1 0 34 14 1 0 35 16 1 0 36 17 1 0 37 18 1 0 38 19 1 0 39 20 1 0 M END $$$$