TDT2MOL O=S(=O)(N1CCCCc2ccccc12)C3=CCCC=C3 39 41 0 0 0 0 0 0.7400 1.6300 -2.1000 O 0 0 0 0 0 0 0.6400 0.3800 -1.3800 S 0 0 0 0 0 0 0.1700 -0.6600 -2.2600 O 0 0 0 0 0 0 -0.4900 0.5700 -0.0500 N 0 0 0 0 0 0 -0.6600 1.8800 0.5500 C 0 0 0 2 0 0 -2.0000 2.0600 1.1800 C 0 0 0 2 0 0 -3.0900 2.1800 0.1400 C 0 0 0 2 0 0 -3.0200 1.1000 -0.8800 C 0 0 0 2 0 0 -2.7500 -0.2400 -0.2400 C 0 0 0 0 0 0 -3.7300 -1.2000 -0.0500 C 0 0 0 1 0 0 -3.3800 -2.4100 0.5700 C 0 0 0 1 0 0 -2.0600 -2.6400 0.9900 C 0 0 0 1 0 0 -1.0800 -1.6600 0.7900 C 0 0 0 1 0 0 -1.4300 -0.4500 0.1800 C 0 0 0 0 0 0 2.2600 -0.0500 -0.7300 C 0 0 0 0 0 0 2.5200 -1.3200 -0.3500 C 0 0 0 1 0 0 3.8600 -1.7200 0.2200 C 0 0 0 2 0 0 4.9700 -0.8000 -0.0700 C 0 0 0 2 0 0 4.5800 0.6400 -0.2900 C 0 0 0 1 0 0 3.3300 0.9900 -0.6200 C 0 0 0 1 0 0 0.1400 1.9800 1.3100 H 0 0 0 0 0 0 -0.4900 2.6500 -0.2200 H 0 0 0 0 0 0 -2.0200 2.9500 1.8300 H 0 0 0 0 0 0 -2.2000 1.1900 1.8300 H 0 0 0 0 0 0 -4.0700 2.1600 0.6500 H 0 0 0 0 0 0 -3.0200 3.1700 -0.3600 H 0 0 0 0 0 0 -3.9400 1.0300 -1.4800 H 0 0 0 0 0 0 -2.1700 1.2700 -1.5800 H 0 0 0 0 0 0 -4.7700 -1.0300 -0.3700 H 0 0 0 0 0 0 -4.1500 -3.1900 0.7300 H 0 0 0 0 0 0 -1.8000 -3.5900 1.4700 H 0 0 0 0 0 0 -0.0500 -1.8400 1.1200 H 0 0 0 0 0 0 1.7400 -2.0900 -0.4500 H 0 0 0 0 0 0 4.0500 -2.7600 -0.1200 H 0 0 0 0 0 0 3.6700 -1.8000 1.3200 H 0 0 0 0 0 0 5.5100 -1.0800 -1.0100 H 0 0 0 0 0 0 5.7600 -0.8000 0.7100 H 0 0 0 0 0 0 5.3600 1.4200 -0.1900 H 0 0 0 0 0 0 3.0700 2.0500 -0.7900 H 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 4 14 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 2 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 21 5 1 0 22 5 1 0 23 6 1 0 24 6 1 0 25 7 1 0 26 7 1 0 27 8 1 0 28 8 1 0 29 10 1 0 30 11 1 0 31 12 1 0 32 13 1 0 33 16 1 0 34 17 1 0 35 17 1 0 36 18 1 0 37 18 1 0 38 19 1 0 39 20 1 0 M END $$$$