TDT2MOL COC(=O)C1=C(SC(=C2SC3C4CC(C3S2)C5C4C(C=CC5=C(C#N)C#N)C(C#N)C#N)S1)C(=O)OC 55 59 0 0 0 0 0 -8.5400 -0.0600 2.1700 C 0 0 0 3 0 0 -7.6700 -0.2400 1.1600 O 0 0 0 0 0 0 -6.4200 -0.3600 1.6500 C 0 0 0 0 0 0 -6.2900 -0.6600 2.8600 O 0 0 0 0 0 0 -5.2300 -0.1400 0.8000 C 0 0 0 0 0 0 -5.2500 0.1900 -0.5000 C 0 0 0 0 0 0 -3.6000 0.4000 -1.3200 S 0 0 0 0 0 0 -2.4900 0.1100 0.1200 C 0 0 0 0 0 0 -1.2000 0.1900 0.1300 C 0 0 0 0 0 0 -0.1300 -0.1100 1.5900 S 0 0 0 0 0 0 1.5400 0.1900 0.9500 C 0 0 0 1 0 0 2.3200 -1.1100 0.8400 C 0 0 0 1 0 0 1.9600 -1.5100 -0.6400 C 0 0 0 2 0 0 2.5000 -0.1900 -1.2000 C 0 0 0 1 0 0 1.5100 0.7600 -0.4700 C 0 0 0 1 0 0 -0.1000 0.6100 -1.2600 S 0 0 0 0 0 0 3.8400 -0.0100 -0.5700 C 0 0 0 1 0 0 3.8100 -0.8700 0.7000 C 0 0 0 1 0 0 4.6800 -0.3500 1.7500 C 0 0 0 1 0 0 6.0800 -0.2600 1.1000 C 0 0 0 1 0 0 6.2700 -0.2300 -0.2300 C 0 0 0 1 0 0 5.1500 -0.2100 -1.2600 C 0 0 0 0 0 0 5.3400 -0.3100 -2.5700 C 0 0 0 0 0 0 4.1700 -0.2500 -3.5100 C 0 0 0 0 0 0 3.2600 -0.4000 -4.2000 N 0 0 0 0 0 0 6.7200 -0.4800 -3.1300 C 0 0 0 0 0 0 7.8100 -0.4300 -3.5100 N 0 0 0 0 0 0 4.3200 0.9400 2.3900 C 0 0 0 1 0 0 3.1200 0.7700 3.3200 C 0 0 0 0 0 0 2.3700 0.7400 4.1800 N 0 0 0 0 0 0 3.9900 2.0400 1.4400 C 0 0 0 0 0 0 3.6800 2.8500 0.6800 N 0 0 0 0 0 0 -3.5500 -0.3200 1.5600 S 0 0 0 0 0 0 -6.4900 0.3800 -1.3000 C 0 0 0 0 0 0 -7.6200 0.2500 -0.7800 O 0 0 0 0 0 0 -6.4000 0.7000 -2.6100 O 0 0 0 0 0 0 -7.6100 0.5100 -3.1900 C 0 0 0 3 0 0 -9.5600 0.0400 1.7700 H 0 0 0 0 0 0 -8.2800 0.8600 2.7300 H 0 0 0 0 0 0 -8.5000 -0.9200 2.8500 H 0 0 0 0 0 0 2.0400 0.8700 1.6500 H 0 0 0 0 0 0 2.0400 -1.9000 1.5100 H 0 0 0 0 0 0 0.9100 -1.7300 -0.7300 H 0 0 0 0 0 0 2.5600 -2.3600 -0.9900 H 0 0 0 0 0 0 2.4600 -0.1200 -2.2600 H 0 0 0 0 0 0 1.8700 1.7800 -0.5600 H 0 0 0 0 0 0 3.9800 1.0700 -0.2800 H 0 0 0 0 0 0 4.2100 -1.9000 0.4300 H 0 0 0 0 0 0 4.8400 -1.0900 2.5700 H 0 0 0 0 0 0 6.9400 -0.2500 1.7900 H 0 0 0 0 0 0 7.2900 -0.1900 -0.6400 H 0 0 0 0 0 0 5.1500 1.2900 3.0400 H 0 0 0 0 0 0 -7.5300 0.7600 -4.2700 H 0 0 0 0 0 0 -7.9200 -0.5300 -3.0800 H 0 0 0 0 0 0 -8.3500 1.1800 -2.7200 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 33 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 16 1 0 9 10 1 0 10 11 1 0 11 15 1 0 11 12 1 0 12 18 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 3 0 23 26 1 0 26 27 3 0 19 28 1 0 28 29 1 0 29 30 3 0 28 31 1 0 31 32 3 0 8 33 1 0 6 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 38 1 1 0 39 1 1 0 40 1 1 0 41 11 1 0 42 12 1 0 43 13 1 0 44 13 1 0 45 14 1 0 46 15 1 0 47 17 1 0 48 18 1 0 49 19 1 0 50 20 1 0 51 21 1 0 52 28 1 0 53 37 1 0 54 37 1 0 55 37 1 0 M END $$$$