TDT2MOL CC1CCC2C1=CC3=C(C4=C(C3)CCCC4)C2=C 40 43 0 0 0 0 0 -4.2700 -0.9900 1.1800 C 0 0 0 3 0 0 -3.8100 0.2200 0.4300 C 0 0 0 1 0 0 -4.1600 0.2200 -1.0400 C 0 0 0 2 0 0 -2.8500 0.1600 -1.8300 C 0 0 0 2 0 0 -1.8600 0.8200 -0.9100 C 0 0 0 1 0 0 -2.2900 0.2200 0.4100 C 0 0 0 0 0 0 -1.4900 -0.2400 1.3600 C 0 0 0 1 0 0 -0.0300 -0.2200 1.1000 C 0 0 0 0 0 0 0.4800 0.2200 -0.1100 C 0 0 0 0 0 0 1.9800 0.0900 -0.0400 C 0 0 0 0 0 0 2.3100 -0.4100 1.2100 C 0 0 0 0 0 0 1.0700 -0.6500 2.0400 C 0 0 0 2 0 0 3.7100 -0.6500 1.6200 C 0 0 0 2 0 0 4.6700 0.1100 0.7500 C 0 0 0 2 0 0 4.3500 -0.1400 -0.7000 C 0 0 0 2 0 0 3.0000 0.4200 -1.0500 C 0 0 0 2 0 0 -0.4100 0.7000 -1.1800 C 0 0 0 0 0 0 0.0300 1.0800 -2.4000 C 0 0 0 2 0 0 -3.9400 -1.9000 0.6400 H 0 0 0 0 0 0 -5.3700 -0.9900 1.2300 H 0 0 0 0 0 0 -3.8600 -1.0000 2.1900 H 0 0 0 0 0 0 -4.1200 1.1200 0.9800 H 0 0 0 0 0 0 -4.7100 1.1400 -1.3200 H 0 0 0 0 0 0 -4.8100 -0.6200 -1.3400 H 0 0 0 0 0 0 -2.5200 -0.8800 -2.0000 H 0 0 0 0 0 0 -2.8900 0.6700 -2.8000 H 0 0 0 0 0 0 -2.1000 1.9100 -0.8500 H 0 0 0 0 0 0 -1.8900 -0.6600 2.3000 H 0 0 0 0 0 0 1.0800 -0.0300 2.9300 H 0 0 0 0 0 0 0.9800 -1.7100 2.2800 H 0 0 0 0 0 0 3.8600 -0.3800 2.6700 H 0 0 0 0 0 0 3.9100 -1.7400 1.5200 H 0 0 0 0 0 0 4.5900 1.1900 0.9500 H 0 0 0 0 0 0 5.7000 -0.2000 0.9700 H 0 0 0 0 0 0 4.3700 -1.2400 -0.8800 H 0 0 0 0 0 0 5.1300 0.3100 -1.3500 H 0 0 0 0 0 0 3.0700 1.5300 -1.1100 H 0 0 0 0 0 0 2.7000 0.0600 -2.0500 H 0 0 0 0 0 0 -0.7100 1.4500 -3.1400 H 0 0 0 0 0 0 1.0900 1.0300 -2.6600 H 0 0 0 0 0 0 1 2 1 0 2 6 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 17 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 16 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 9 17 1 0 17 18 2 0 19 1 1 0 20 1 1 0 21 1 1 0 22 2 1 0 23 3 1 0 24 3 1 0 25 4 1 0 26 4 1 0 27 5 1 0 28 7 1 0 29 12 1 0 30 12 1 0 31 13 1 0 32 13 1 0 33 14 1 0 34 14 1 0 35 15 1 0 36 15 1 0 37 16 1 0 38 16 1 0 39 18 1 0 40 18 1 0 M END $$$$