TDT2MOL CCOC(=O)C1=C(SC(=C2SC3C4CCC(C4)C3S2)S1)c5ccc(cc5)c6ccc(cc6)C7=C(SC(=C8SC9C%10CCC(C%10)C9S8)S7)C(=O)OCC 90 99 0 0 0 0 0 -6.4100 0.0500 -5.2300 C 0 0 0 3 0 0 -6.9500 1.4200 -4.9300 C 0 0 0 2 0 0 -7.0700 1.5800 -3.6000 O 0 0 0 0 0 0 -5.8300 1.3900 -3.0300 C 0 0 0 0 0 0 -4.8700 1.8100 -3.6900 O 0 0 0 0 0 0 -5.8500 0.7000 -1.7200 C 0 0 0 0 0 0 -4.9400 0.3000 -0.8400 C 0 0 0 0 0 0 -5.6300 -0.5400 0.7000 S 0 0 0 0 0 0 -7.4000 -0.4800 0.3700 C 0 0 0 0 0 0 -8.4600 -0.8900 1.0100 C 0 0 0 0 0 0 -8.6900 -1.7400 2.5800 S 0 0 0 0 0 0 -10.4800 -2.1100 2.6300 C 0 0 0 1 0 0 -11.1100 -1.4000 3.8300 C 0 0 0 1 0 0 -12.5300 -1.9500 4.0000 C 0 0 0 2 0 0 -13.2800 -1.3900 2.8100 C 0 0 0 2 0 0 -12.2200 -0.5600 2.0700 C 0 0 0 1 0 0 -11.4000 0.0000 3.2500 C 0 0 0 2 0 0 -11.2300 -1.5400 1.4500 C 0 0 0 1 0 0 -10.1500 -0.6300 0.3000 S 0 0 0 0 0 0 -7.6400 0.3600 -1.2600 S 0 0 0 0 0 0 -3.4500 0.4000 -0.8600 C 0 0 0 0 0 0 -2.7500 -0.0900 0.2600 C 0 0 0 1 0 0 -1.3500 -0.0300 0.3200 C 0 0 0 1 0 0 -0.6100 0.5200 -0.7200 C 0 0 0 0 0 0 -1.3100 1.0100 -1.8400 C 0 0 0 1 0 0 -2.7100 0.9500 -1.9000 C 0 0 0 1 0 0 0.8300 0.6200 -0.7200 C 0 0 0 0 0 0 1.4200 1.6800 -1.4200 C 0 0 0 1 0 0 2.8200 1.8300 -1.4600 C 0 0 0 1 0 0 3.6600 0.9300 -0.8200 C 0 0 0 0 0 0 3.0600 -0.1400 -0.1200 C 0 0 0 1 0 0 1.6700 -0.2900 -0.0700 C 0 0 0 1 0 0 5.1400 0.9900 -0.8200 C 0 0 0 0 0 0 6.0100 1.7900 -1.4200 C 0 0 0 0 0 0 7.8300 1.4300 -1.0700 S 0 0 0 0 0 0 7.6800 0.0400 0.1100 C 0 0 0 0 0 0 8.6800 -0.5400 0.7200 C 0 0 0 0 0 0 10.4400 -0.1100 0.5400 S 0 0 0 0 0 0 11.3000 -1.4600 1.4100 C 0 0 0 1 0 0 12.1100 -0.8700 2.5700 C 0 0 0 1 0 0 13.0400 -1.9800 3.0800 C 0 0 0 2 0 0 12.1000 -2.9700 3.7300 C 0 0 0 2 0 0 10.7200 -2.3200 3.5700 C 0 0 0 1 0 0 11.0700 -0.8300 3.7000 C 0 0 0 2 0 0 10.3400 -2.4100 2.0900 C 0 0 0 1 0 0 8.5900 -1.9200 1.9100 S 0 0 0 0 0 0 5.9000 -0.3500 0.2600 S 0 0 0 0 0 0 5.8900 2.9400 -2.3400 C 0 0 0 0 0 0 4.8500 3.4500 -2.7700 O 0 0 0 0 0 0 7.0500 3.5200 -2.7700 O 0 0 0 0 0 0 6.8700 4.0700 -3.9900 C 0 0 0 2 0 0 6.6300 3.0200 -5.0300 C 0 0 0 3 0 0 -7.1000 -0.7100 -4.8400 H 0 0 0 0 0 0 -5.4300 -0.0600 -4.7500 H 0 0 0 0 0 0 -6.3000 -0.0700 -6.3200 H 0 0 0 0 0 0 -6.2700 2.1800 -5.3300 H 0 0 0 0 0 0 -7.9400 1.5200 -5.3900 H 0 0 0 0 0 0 -10.5700 -3.1900 2.7400 H 0 0 0 0 0 0 -10.5200 -1.3800 4.7200 H 0 0 0 0 0 0 -12.9200 -1.5800 4.9700 H 0 0 0 0 0 0 -12.5000 -3.0400 4.0500 H 0 0 0 0 0 0 -14.1000 -0.7200 3.0900 H 0 0 0 0 0 0 -13.6800 -2.1600 2.1500 H 0 0 0 0 0 0 -12.6100 0.1900 1.4200 H 0 0 0 0 0 0 -10.5000 0.5100 2.9200 H 0 0 0 0 0 0 -11.9900 0.6200 3.9100 H 0 0 0 0 0 0 -11.7600 -2.2800 0.8500 H 0 0 0 0 0 0 -3.3100 -0.5300 1.0900 H 0 0 0 0 0 0 -0.8400 -0.4300 1.2200 H 0 0 0 0 0 0 -0.7600 1.4500 -2.6900 H 0 0 0 0 0 0 -3.1800 1.3500 -2.8100 H 0 0 0 0 0 0 0.8000 2.4200 -1.9400 H 0 0 0 0 0 0 3.2000 2.6900 -2.0300 H 0 0 0 0 0 0 3.7000 -0.8700 0.4000 H 0 0 0 0 0 0 1.2400 -1.1400 0.4900 H 0 0 0 0 0 0 11.9500 -1.9400 0.6800 H 0 0 0 0 0 0 12.5800 0.0600 2.3800 H 0 0 0 0 0 0 13.6200 -2.3900 2.2400 H 0 0 0 0 0 0 13.7500 -1.5200 3.7900 H 0 0 0 0 0 0 12.2900 -3.1100 4.8000 H 0 0 0 0 0 0 12.1100 -3.9600 3.2700 H 0 0 0 0 0 0 9.9800 -2.6500 4.2600 H 0 0 0 0 0 0 10.2400 -0.1700 3.4600 H 0 0 0 0 0 0 11.4900 -0.5800 4.6600 H 0 0 0 0 0 0 10.4100 -3.4500 1.7500 H 0 0 0 0 0 0 7.7800 4.6400 -4.2300 H 0 0 0 0 0 0 6.0200 4.7800 -3.9600 H 0 0 0 0 0 0 5.6600 2.5200 -4.8600 H 0 0 0 0 0 0 7.4300 2.2600 -4.9900 H 0 0 0 0 0 0 6.6200 3.4700 -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 20 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 19 1 0 10 11 1 0 11 12 1 0 12 18 1 0 12 13 1 0 13 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 9 20 1 0 7 21 1 0 21 26 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 24 27 1 0 27 32 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 30 33 1 0 33 47 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 46 1 0 37 38 1 0 38 39 1 0 39 45 1 0 39 40 1 0 40 44 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 36 47 1 0 34 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 53 1 1 0 54 1 1 0 55 1 1 0 56 2 1 0 57 2 1 0 58 12 1 0 59 13 1 0 60 14 1 0 61 14 1 0 62 15 1 0 63 15 1 0 64 16 1 0 65 17 1 0 66 17 1 0 67 18 1 0 68 22 1 0 69 23 1 0 70 25 1 0 71 26 1 0 72 28 1 0 73 29 1 0 74 31 1 0 75 32 1 0 76 39 1 0 77 40 1 0 78 41 1 0 79 41 1 0 80 42 1 0 81 42 1 0 82 43 1 0 83 44 1 0 84 44 1 0 85 45 1 0 86 51 1 0 87 51 1 0 88 52 1 0 89 52 1 0 90 52 1 0 M END $$$$