TDT2MOL CC1CCCC2C(=C)C3=C(CC4=C3CCC4)C=C12 40 43 0 0 0 0 0 -3.4100 2.1100 -0.1000 C 0 0 0 3 0 0 -3.1600 0.6900 0.2800 C 0 0 0 1 0 0 -3.7900 -0.2400 -0.7200 C 0 0 0 2 0 0 -3.4900 -1.6600 -0.3800 C 0 0 0 2 0 0 -2.0000 -1.8900 -0.4300 C 0 0 0 2 0 0 -1.3200 -1.0200 0.5800 C 0 0 0 1 0 0 0.1600 -1.2500 0.5500 C 0 0 0 0 0 0 0.6300 -2.5000 0.7700 C 0 0 0 2 0 0 1.1100 -0.1500 0.3000 C 0 0 0 0 0 0 0.6300 1.1400 0.0700 C 0 0 0 0 0 0 1.7800 2.1100 -0.1600 C 0 0 0 2 0 0 2.9800 1.2400 -0.0400 C 0 0 0 0 0 0 2.5800 -0.1000 0.2400 C 0 0 0 0 0 0 3.7900 -0.9600 0.3600 C 0 0 0 2 0 0 4.8700 -0.1400 -0.3200 C 0 0 0 2 0 0 4.4600 1.3100 -0.1000 C 0 0 0 2 0 0 -0.8100 1.4100 0.0600 C 0 0 0 1 0 0 -1.6800 0.4100 0.3000 C 0 0 0 0 0 0 -4.4900 2.2900 -0.1600 H 0 0 0 0 0 0 -2.9500 2.3300 -1.0800 H 0 0 0 0 0 0 -2.9800 2.7900 0.6600 H 0 0 0 0 0 0 -3.5700 0.4800 1.2800 H 0 0 0 0 0 0 -3.4000 -0.0100 -1.7300 H 0 0 0 0 0 0 -4.8800 -0.0800 -0.7200 H 0 0 0 0 0 0 -3.8600 -1.8800 0.6400 H 0 0 0 0 0 0 -3.9800 -2.3300 -1.1000 H 0 0 0 0 0 0 -1.7800 -2.9500 -0.2000 H 0 0 0 0 0 0 -1.6300 -1.6500 -1.4300 H 0 0 0 0 0 0 -1.6900 -1.2700 1.5900 H 0 0 0 0 0 0 1.7100 -2.6800 0.7500 H 0 0 0 0 0 0 -0.0800 -3.3200 0.9600 H 0 0 0 0 0 0 1.6900 2.5400 -1.1700 H 0 0 0 0 0 0 1.7600 2.8800 0.6100 H 0 0 0 0 0 0 4.0200 -1.0800 1.4400 H 0 0 0 0 0 0 3.6400 -1.9500 -0.0800 H 0 0 0 0 0 0 5.8700 -0.3500 0.0600 H 0 0 0 0 0 0 4.8600 -0.3600 -1.4100 H 0 0 0 0 0 0 4.8000 1.9900 -0.8900 H 0 0 0 0 0 0 4.8300 1.6800 0.8700 H 0 0 0 0 0 0 -1.1900 2.4200 -0.1400 H 0 0 0 0 0 0 1 2 1 0 2 18 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 18 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 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 10 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 5 1 0 29 6 1 0 30 8 1 0 31 8 1 0 32 11 1 0 33 11 1 0 34 14 1 0 35 14 1 0 36 15 1 0 37 15 1 0 38 16 1 0 39 16 1 0 40 17 1 0 M END $$$$