TDT2MOL COc1ccc2C3CCC4(C)C5OCC5CC4C3CCc2c1 48 52 0 0 0 0 0 -6.4100 0.8300 -0.6600 C 0 0 0 3 0 0 -5.7700 -0.2900 -0.2700 O 0 0 0 0 0 0 -4.3900 -0.1100 -0.3000 C 0 0 0 0 0 0 -3.8200 1.1000 -0.6900 C 0 0 0 1 0 0 -2.4300 1.2700 -0.7100 C 0 0 0 1 0 0 -1.6200 0.2000 -0.3300 C 0 0 0 0 0 0 -0.1000 0.2800 -0.3100 C 0 0 0 1 0 0 0.5200 -0.5300 -1.3900 C 0 0 0 2 0 0 1.6600 -1.4000 -0.9000 C 0 0 0 2 0 0 2.5800 -0.5400 -0.0400 C 0 0 0 0 0 0 3.7600 -1.4200 0.3600 C 0 0 0 3 0 0 3.0300 0.6300 -0.8100 C 0 0 0 1 0 0 4.4200 0.9700 -0.7300 O 0 0 0 0 0 0 4.2500 2.2200 -0.0400 C 0 0 0 2 0 0 2.7500 1.9100 0.0600 C 0 0 0 1 0 0 2.2800 1.4000 1.3600 C 0 0 0 2 0 0 1.8300 -0.0400 1.1900 C 0 0 0 1 0 0 0.3000 -0.1900 1.1000 C 0 0 0 1 0 0 -0.2300 -1.5400 1.4500 C 0 0 0 2 0 0 -1.2200 -2.1100 0.4700 C 0 0 0 2 0 0 -2.1900 -1.0200 0.0700 C 0 0 0 0 0 0 -3.5600 -1.1900 0.0900 C 0 0 0 1 0 0 -6.1600 1.6600 0.0200 H 0 0 0 0 0 0 -7.5000 0.6500 -0.6200 H 0 0 0 0 0 0 -6.1300 1.0900 -1.6900 H 0 0 0 0 0 0 -4.4600 1.9400 -0.9900 H 0 0 0 0 0 0 -2.0000 2.2300 -1.0200 H 0 0 0 0 0 0 0.1400 1.3600 -0.3900 H 0 0 0 0 0 0 -0.1800 -1.2100 -1.9300 H 0 0 0 0 0 0 0.9200 0.1100 -2.2200 H 0 0 0 0 0 0 2.2200 -1.8300 -1.7400 H 0 0 0 0 0 0 1.2800 -2.2200 -0.2700 H 0 0 0 0 0 0 4.2800 -1.7300 -0.5500 H 0 0 0 0 0 0 3.4000 -2.2800 0.9200 H 0 0 0 0 0 0 4.4400 -0.8200 0.9800 H 0 0 0 0 0 0 2.7700 0.7600 -1.8400 H 0 0 0 0 0 0 4.5100 3.0000 -0.7200 H 0 0 0 0 0 0 4.7800 2.1500 0.8900 H 0 0 0 0 0 0 2.1400 2.6200 -0.4700 H 0 0 0 0 0 0 1.4500 2.0300 1.7700 H 0 0 0 0 0 0 3.0700 1.5100 2.1400 H 0 0 0 0 0 0 2.0900 -0.6200 2.1000 H 0 0 0 0 0 0 -0.1100 0.5700 1.8200 H 0 0 0 0 0 0 0.5900 -2.2900 1.5800 H 0 0 0 0 0 0 -0.7100 -1.5700 2.4700 H 0 0 0 0 0 0 -1.7600 -2.9700 0.8500 H 0 0 0 0 0 0 -0.7000 -2.4300 -0.4600 H 0 0 0 0 0 0 -4.0200 -2.1400 0.4000 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 22 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 21 1 0 6 7 1 0 7 18 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 17 1 0 10 11 1 0 10 12 1 0 12 15 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 23 1 1 0 24 1 1 0 25 1 1 0 26 4 1 0 27 5 1 0 28 7 1 0 29 8 1 0 30 8 1 0 31 9 1 0 32 9 1 0 33 11 1 0 34 11 1 0 35 11 1 0 36 12 1 0 37 14 1 0 38 14 1 0 39 15 1 0 40 16 1 0 41 16 1 0 42 17 1 0 43 18 1 0 44 19 1 0 45 19 1 0 46 20 1 0 47 20 1 0 48 22 1 0 M END $$$$