TDT2MOL COc1ccc2C3CC4(C)C(CC5CN=C(*)OC54)CC3CCc2c1c2c1 51 55 0 0 0 0 0 -5.9200 1.5700 1.1900 C 0 0 0 3 0 0 -5.7100 0.6100 0.2600 O 0 0 0 0 0 0 -4.3400 0.4100 0.0600 C 0 0 0 0 0 0 -3.3900 1.1600 0.7600 C 0 0 0 1 0 0 -2.0200 0.9400 0.5400 C 0 0 0 1 0 0 -1.6100 -0.0200 -0.4000 C 0 0 0 0 0 0 -0.1300 -0.2000 -0.5900 C 0 0 0 1 0 0 0.5200 -0.6500 0.7200 C 0 0 0 2 0 0 2.0000 -0.7700 0.6700 C 0 0 0 0 0 0 2.4700 -2.0200 1.4200 C 0 0 0 3 0 0 2.5400 -0.7700 -0.7800 C 0 0 0 1 0 0 2.6300 0.7000 -1.1500 C 0 0 0 2 0 0 2.5100 1.4800 0.1200 C 0 0 0 1 0 0 3.4500 2.6100 0.3900 C 0 0 0 2 0 0 3.3500 2.9700 1.8100 N 0 0 0 0 0 0 2.8600 2.1500 2.6300 C 0 0 0 0 0 0 2.8000 2.5800 3.9700 R 0 0 0 0 0 0 2.3800 0.9000 2.4000 O 0 0 0 0 0 0 2.7500 0.4100 1.2200 C 0 0 0 1 0 0 1.6400 -1.6200 -1.6200 C 0 0 0 2 0 0 0.2400 -1.1100 -1.7200 C 0 0 0 1 0 0 -0.7500 -2.2600 -1.8200 C 0 0 0 2 0 0 -2.1300 -1.7900 -2.1000 C 0 0 0 2 0 0 -2.5500 -0.7600 -1.1000 C 0 0 0 0 0 0 -3.9200 -0.5500 -0.8700 C 0 0 0 1 0 0 -5.4800 2.5200 0.8500 H 0 0 0 0 0 0 -5.4700 1.2700 2.1500 H 0 0 0 0 0 0 -7.0100 1.7000 1.3200 H 0 0 0 0 0 0 -3.7000 1.9100 1.5000 H 0 0 0 0 0 0 -1.2800 1.5300 1.0900 H 0 0 0 0 0 0 0.2400 0.8400 -0.7700 H 0 0 0 0 0 0 0.0000 -1.6300 0.9300 H 0 0 0 0 0 0 0.1900 0.0200 1.5300 H 0 0 0 0 0 0 2.2100 -1.8900 2.4700 H 0 0 0 0 0 0 3.5500 -2.1300 1.2900 H 0 0 0 0 0 0 1.9500 -2.8900 1.0000 H 0 0 0 0 0 0 3.5600 -1.2000 -0.7600 H 0 0 0 0 0 0 1.8600 0.9700 -1.9000 H 0 0 0 0 0 0 3.5900 0.9700 -1.6600 H 0 0 0 0 0 0 1.4900 1.8900 0.2800 H 0 0 0 0 0 0 3.2500 3.4800 -0.2300 H 0 0 0 0 0 0 4.4900 2.2700 0.2100 H 0 0 0 0 0 0 3.8300 0.2000 1.2700 H 0 0 0 0 0 0 1.6900 -2.6400 -1.1700 H 0 0 0 0 0 0 2.1200 -1.7500 -2.6200 H 0 0 0 0 0 0 0.0900 -0.5500 -2.6800 H 0 0 0 0 0 0 -0.4200 -2.9500 -2.6100 H 0 0 0 0 0 0 -0.7200 -2.8000 -0.8500 H 0 0 0 0 0 0 -2.8400 -2.6300 -2.0800 H 0 0 0 0 0 0 -2.1800 -1.3200 -3.1100 H 0 0 0 0 0 0 -4.6600 -1.1300 -1.4300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 25 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 24 1 0 6 7 1 0 7 21 1 0 7 8 1 0 8 9 1 0 9 19 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 19 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 11 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 26 1 1 0 27 1 1 0 28 1 1 0 29 4 1 0 30 5 1 0 31 7 1 0 32 8 1 0 33 8 1 0 34 10 1 0 35 10 1 0 36 10 1 0 37 11 1 0 38 12 1 0 39 12 1 0 40 13 1 0 41 14 1 0 42 14 1 0 43 19 1 0 44 20 1 0 45 20 1 0 46 21 1 0 47 22 1 0 48 22 1 0 49 23 1 0 50 23 1 0 51 25 1 0 M END $$$$