TDT2MOL CCOC(=O)C#Cc1ccc(cc1)c2ccc(cc2)C3=C(SC(=C4SC5C6CCC(C6)C5S4)S3)C(=O)OCC 67 72 0 0 0 0 0 13.0400 0.3600 0.2600 C 0 0 0 3 0 0 11.7400 0.0400 -0.4300 C 0 0 0 2 0 0 10.8100 -0.3000 0.4800 O 0 0 0 0 0 0 10.4200 0.7700 1.2000 C 0 0 0 0 0 0 11.0100 1.8500 1.0500 O 0 0 0 0 0 0 9.2600 0.6500 2.1600 C 0 0 0 0 0 0 8.0700 0.5200 2.4100 C 0 0 0 0 0 0 6.6400 0.3800 1.9300 C 0 0 0 0 0 0 6.2200 1.1100 0.8100 C 0 0 0 1 0 0 4.9100 0.9800 0.3600 C 0 0 0 1 0 0 4.0100 0.1200 1.0200 C 0 0 0 0 0 0 4.4400 -0.6000 2.1300 C 0 0 0 1 0 0 5.7600 -0.4800 2.5900 C 0 0 0 1 0 0 2.6600 0.0000 0.5200 C 0 0 0 0 0 0 2.4600 -0.1100 -0.8600 C 0 0 0 1 0 0 1.1600 -0.2300 -1.3900 C 0 0 0 1 0 0 0.0600 -0.2300 -0.5400 C 0 0 0 0 0 0 0.2700 -0.1100 0.8500 C 0 0 0 1 0 0 1.5600 0.0100 1.3700 C 0 0 0 1 0 0 -1.3600 -0.3400 -0.9700 C 0 0 0 0 0 0 -1.9500 -0.4600 -2.1600 C 0 0 0 0 0 0 -3.8200 -0.5700 -2.1300 S 0 0 0 0 0 0 -4.1300 -0.4800 -0.3300 C 0 0 0 0 0 0 -5.2900 -0.5300 0.2100 C 0 0 0 0 0 0 -5.7600 -0.4500 2.0300 S 0 0 0 0 0 0 -7.4500 -1.0000 1.9300 C 0 0 0 1 0 0 -8.6500 -1.0600 2.8200 C 0 0 0 1 0 0 -9.3000 0.3100 3.0500 C 0 0 0 2 0 0 -10.0600 0.6300 1.7800 C 0 0 0 2 0 0 -9.5300 -0.5000 0.8200 C 0 0 0 1 0 0 -9.7000 -1.6700 1.8000 C 0 0 0 2 0 0 -8.0500 -0.3000 0.6700 C 0 0 0 1 0 0 -6.9500 -0.7200 -0.6800 S 0 0 0 0 0 0 -2.5300 -0.3100 0.5000 S 0 0 0 0 0 0 -1.4400 -0.5300 -3.5400 C 0 0 0 0 0 0 -0.2600 -0.4900 -3.9200 O 0 0 0 0 0 0 -2.3700 -0.6600 -4.5500 O 0 0 0 0 0 0 -1.9400 0.0900 -5.5900 C 0 0 0 2 0 0 -1.8400 1.5300 -5.1800 C 0 0 0 3 0 0 13.8000 0.6200 -0.4900 H 0 0 0 0 0 0 12.9000 1.2200 0.9400 H 0 0 0 0 0 0 13.3700 -0.5100 0.8400 H 0 0 0 0 0 0 11.4200 0.9100 -1.0200 H 0 0 0 0 0 0 11.9000 -0.8100 -1.1100 H 0 0 0 0 0 0 6.9300 1.7800 0.2900 H 0 0 0 0 0 0 4.5700 1.5500 -0.5200 H 0 0 0 0 0 0 3.7400 -1.2700 2.6600 H 0 0 0 0 0 0 6.0900 -1.0500 3.4700 H 0 0 0 0 0 0 3.3200 -0.1200 -1.5500 H 0 0 0 0 0 0 1.0700 -0.3200 -2.4700 H 0 0 0 0 0 0 -0.6000 -0.1100 1.5200 H 0 0 0 0 0 0 1.7000 0.1000 2.4600 H 0 0 0 0 0 0 -7.2600 -2.1100 1.7100 H 0 0 0 0 0 0 -8.6000 -1.7000 3.6800 H 0 0 0 0 0 0 -9.9700 0.2700 3.9200 H 0 0 0 0 0 0 -8.5000 1.0400 3.2700 H 0 0 0 0 0 0 -11.1400 0.5300 1.8300 H 0 0 0 0 0 0 -9.8000 1.5900 1.3200 H 0 0 0 0 0 0 -10.1000 -0.5800 -0.0700 H 0 0 0 0 0 0 -9.3600 -2.6000 1.3600 H 0 0 0 0 0 0 -10.6400 -1.8200 2.2900 H 0 0 0 0 0 0 -7.8500 0.8100 0.7600 H 0 0 0 0 0 0 -0.9600 -0.2700 -5.9400 H 0 0 0 0 0 0 -2.6700 0.0000 -6.4200 H 0 0 0 0 0 0 -2.8200 1.8800 -4.8400 H 0 0 0 0 0 0 -1.1200 1.6200 -4.3500 H 0 0 0 0 0 0 -1.5000 2.1400 -6.0300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 3 0 7 8 1 0 8 13 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 11 14 1 0 14 19 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 17 20 1 0 20 34 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 33 1 0 24 25 1 0 25 26 1 0 26 32 1 0 26 27 1 0 27 31 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 23 34 1 0 21 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 40 1 1 0 41 1 1 0 42 1 1 0 43 2 1 0 44 2 1 0 45 9 1 0 46 10 1 0 47 12 1 0 48 13 1 0 49 15 1 0 50 16 1 0 51 18 1 0 52 19 1 0 53 26 1 0 54 27 1 0 55 28 1 0 56 28 1 0 57 29 1 0 58 29 1 0 59 30 1 0 60 31 1 0 61 31 1 0 62 32 1 0 63 38 1 0 64 38 1 0 65 39 1 0 66 39 1 0 67 39 1 0 M END $$$$