TDT2MOL Cc1cc2SC(Sc2s1)C3Sc4cc(C)sc4S3 28 31 0 0 0 0 0 -6.9600 0.0500 0.3300 C 0 0 0 3 0 0 -5.5100 -0.2400 0.1100 C 0 0 0 0 0 0 -4.4400 0.6500 0.2500 C 0 0 0 1 0 0 -3.2100 0.1200 -0.0200 C 0 0 0 0 0 0 -1.5500 0.9100 0.0300 S 0 0 0 0 0 0 -0.4400 -0.4400 -0.5000 C 0 0 0 1 0 0 -1.5100 -1.9100 -0.7600 S 0 0 0 0 0 0 -3.1700 -1.2500 -0.4100 C 0 0 0 0 0 0 -4.7900 -1.7400 -0.3800 S 0 0 0 0 0 0 0.5400 -0.7200 0.5600 C 0 0 0 1 0 0 1.5400 0.7900 0.8700 S 0 0 0 0 0 0 3.2100 0.2800 0.3000 C 0 0 0 0 0 0 4.3700 1.0000 0.2300 C 0 0 0 1 0 0 5.4800 0.3000 -0.2600 C 0 0 0 0 0 0 6.8700 0.8200 -0.4500 C 0 0 0 3 0 0 4.8900 -1.3000 -0.5900 S 0 0 0 0 0 0 3.2800 -1.0700 -0.1300 C 0 0 0 0 0 0 1.7200 -2.0000 -0.0200 S 0 0 0 0 0 0 -7.0600 0.8800 1.0400 H 0 0 0 0 0 0 -7.4400 0.3100 -0.6200 H 0 0 0 0 0 0 -7.4400 -0.8500 0.7500 H 0 0 0 0 0 0 -4.5900 1.7000 0.5600 H 0 0 0 0 0 0 0.0300 -0.1700 -1.4500 H 0 0 0 0 0 0 0.0900 -1.0400 1.5000 H 0 0 0 0 0 0 4.4400 2.0700 0.5300 H 0 0 0 0 0 0 6.9900 1.7600 0.1200 H 0 0 0 0 0 0 7.0500 1.0200 -1.5100 H 0 0 0 0 0 0 7.6000 0.0800 -0.0800 H 0 0 0 0 0 0 1 2 1 0 2 9 1 0 2 3 2 0 3 4 1 0 4 8 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 6 10 1 0 10 18 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 19 1 1 0 20 1 1 0 21 1 1 0 22 3 1 0 23 6 1 0 24 10 1 0 25 13 1 0 26 15 1 0 27 15 1 0 28 15 1 0 M END $$$$