TDT2MOL CC1CCCC2C(=C)C3=C(CC4=C3CCCCC4)C=C12 46 49 0 0 0 0 0 -4.0100 2.1600 0.1800 C 0 0 0 3 0 0 -3.7500 0.7500 0.5800 C 0 0 0 1 0 0 -4.5500 -0.1900 -0.2800 C 0 0 0 2 0 0 -4.2300 -1.6200 0.0800 C 0 0 0 2 0 0 -2.7700 -1.8900 -0.1800 C 0 0 0 2 0 0 -1.9200 -1.0000 0.6800 C 0 0 0 1 0 0 -0.4700 -1.2800 0.4300 C 0 0 0 0 0 0 -0.0800 -2.5600 0.6500 C 0 0 0 2 0 0 0.4500 -0.2300 0.0000 C 0 0 0 0 0 0 -0.0200 1.0600 -0.2200 C 0 0 0 0 0 0 1.0900 1.9700 -0.6600 C 0 0 0 2 0 0 2.3100 1.0300 -0.6600 C 0 0 0 0 0 0 1.9500 -0.2300 -0.2800 C 0 0 0 0 0 0 2.8100 -1.4100 -0.1300 C 0 0 0 2 0 0 4.2900 -1.0900 -0.2000 C 0 0 0 2 0 0 4.6800 0.0300 0.7000 C 0 0 0 2 0 0 4.6400 1.3900 0.0800 C 0 0 0 2 0 0 3.6500 1.5000 -1.0400 C 0 0 0 2 0 0 -1.4400 1.3800 -0.0300 C 0 0 0 1 0 0 -2.2900 0.4200 0.3800 C 0 0 0 0 0 0 -3.7100 2.3200 -0.8600 H 0 0 0 0 0 0 -5.0900 2.3700 0.2800 H 0 0 0 0 0 0 -3.4500 2.8400 0.8400 H 0 0 0 0 0 0 -4.0100 0.5900 1.6300 H 0 0 0 0 0 0 -5.6300 -0.0100 -0.1200 H 0 0 0 0 0 0 -4.3100 -0.0200 -1.3400 H 0 0 0 0 0 0 -4.8400 -2.3000 -0.5400 H 0 0 0 0 0 0 -4.4500 -1.7900 1.1400 H 0 0 0 0 0 0 -2.5500 -2.9400 0.0400 H 0 0 0 0 0 0 -2.5500 -1.6900 -1.2400 H 0 0 0 0 0 0 -2.1500 -1.2100 1.7400 H 0 0 0 0 0 0 0.9600 -2.8600 0.4900 H 0 0 0 0 0 0 -0.8200 -3.3000 0.9800 H 0 0 0 0 0 0 0.9200 2.3400 -1.6700 H 0 0 0 0 0 0 1.2600 2.7700 0.0600 H 0 0 0 0 0 0 2.5500 -2.1900 -0.8600 H 0 0 0 0 0 0 2.6000 -1.8300 0.8900 H 0 0 0 0 0 0 4.8400 -2.0400 0.0200 H 0 0 0 0 0 0 4.5500 -0.8700 -1.2500 H 0 0 0 0 0 0 5.7100 -0.1400 1.1300 H 0 0 0 0 0 0 4.0500 -0.0100 1.6300 H 0 0 0 0 0 0 4.4200 2.1800 0.8300 H 0 0 0 0 0 0 5.6300 1.7000 -0.3500 H 0 0 0 0 0 0 3.5800 2.5500 -1.4000 H 0 0 0 0 0 0 3.9800 0.9100 -1.9200 H 0 0 0 0 0 0 -1.8200 2.4000 -0.2200 H 0 0 0 0 0 0 1 2 1 0 2 20 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 20 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 10 19 1 0 19 20 2 0 21 1 1 0 22 1 1 0 23 1 1 0 24 2 1 0 25 3 1 0 26 3 1 0 27 4 1 0 28 4 1 0 29 5 1 0 30 5 1 0 31 6 1 0 32 8 1 0 33 8 1 0 34 11 1 0 35 11 1 0 36 14 1 0 37 14 1 0 38 15 1 0 39 15 1 0 40 16 1 0 41 16 1 0 42 17 1 0 43 17 1 0 44 18 1 0 45 18 1 0 46 19 1 0 M END $$$$