TDT2MOL C1CC2CC1C3SC(=C4c5ccccc5CC64SC7C8CCC(C8)C7S6)SC23 54 61 0 0 0 0 0 -3.4900 1.6400 -3.0900 C 0 0 0 2 0 0 -4.5300 1.3400 -2.0300 C 0 0 0 2 0 0 -4.3200 -0.1200 -1.6300 C 0 0 0 1 0 0 -3.7300 -0.6700 -2.9900 C 0 0 0 2 0 0 -2.5900 0.3600 -2.9800 C 0 0 0 1 0 0 -2.0100 0.3200 -1.6000 C 0 0 0 1 0 0 -0.4800 -0.3800 -0.9900 S 0 0 0 0 0 0 -0.8300 -0.3500 0.8600 C 0 0 0 0 0 0 -0.0400 -0.5100 1.8500 C 0 0 0 0 0 0 -0.4300 -0.4800 3.3100 C 0 0 0 0 0 0 -1.5800 -0.0700 3.9300 C 0 0 0 1 0 0 -1.6300 -0.1600 5.3300 C 0 0 0 1 0 0 -0.5500 -0.6500 6.0700 C 0 0 0 1 0 0 0.6300 -1.0700 5.4300 C 0 0 0 1 0 0 0.6800 -0.9800 4.0600 C 0 0 0 0 0 0 1.8200 -1.3700 3.1300 C 0 0 0 2 0 0 1.4600 -0.7900 1.7900 C 0 0 0 0 0 0 1.8600 -1.7900 0.3600 S 0 0 0 0 0 0 3.2400 -0.9600 -0.4700 C 0 0 0 1 0 0 2.8500 -0.6500 -1.9200 C 0 0 0 1 0 0 4.1300 -0.2000 -2.6400 C 0 0 0 2 0 0 4.4400 1.1400 -2.0300 C 0 0 0 2 0 0 3.3000 1.3700 -1.0300 C 0 0 0 1 0 0 2.1200 0.7000 -1.7600 C 0 0 0 2 0 0 3.5100 0.4000 0.1300 C 0 0 0 1 0 0 2.3000 0.7800 1.4300 S 0 0 0 0 0 0 -2.7000 -0.0100 0.9600 S 0 0 0 0 0 0 -3.1400 -0.3300 -0.7400 C 0 0 0 1 0 0 -3.8500 1.7000 -4.1100 H 0 0 0 0 0 0 -2.8500 2.5000 -2.8700 H 0 0 0 0 0 0 -4.4200 1.9700 -1.1300 H 0 0 0 0 0 0 -5.5500 1.4800 -2.4200 H 0 0 0 0 0 0 -5.2100 -0.6700 -1.4000 H 0 0 0 0 0 0 -4.4700 -0.6400 -3.7600 H 0 0 0 0 0 0 -3.3400 -1.6800 -2.9000 H 0 0 0 0 0 0 -1.9100 0.2600 -3.7900 H 0 0 0 0 0 0 -1.8800 1.4000 -1.2700 H 0 0 0 0 0 0 -2.4400 0.3200 3.3800 H 0 0 0 0 0 0 -2.5500 0.1700 5.8600 H 0 0 0 0 0 0 -0.6100 -0.7100 7.1700 H 0 0 0 0 0 0 1.4700 -1.4500 6.0200 H 0 0 0 0 0 0 1.8400 -2.4700 3.1000 H 0 0 0 0 0 0 2.7600 -1.0000 3.5500 H 0 0 0 0 0 0 4.0900 -1.6400 -0.4400 H 0 0 0 0 0 0 2.2700 -1.3900 -2.4200 H 0 0 0 0 0 0 4.9100 -0.9500 -2.5100 H 0 0 0 0 0 0 3.9000 -0.1500 -3.7200 H 0 0 0 0 0 0 4.4200 1.9700 -2.7600 H 0 0 0 0 0 0 5.4100 1.1900 -1.5100 H 0 0 0 0 0 0 3.1100 2.3800 -0.7600 H 0 0 0 0 0 0 1.2300 0.6300 -1.1400 H 0 0 0 0 0 0 1.8900 1.1700 -2.7100 H 0 0 0 0 0 0 4.5100 0.5200 0.5500 H 0 0 0 0 0 0 -3.0300 -1.4600 -0.7500 H 0 0 0 0 0 0 1 5 1 0 1 2 1 0 2 3 1 0 3 28 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 28 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 17 1 0 9 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 26 1 0 17 18 1 0 18 19 1 0 19 25 1 0 19 20 1 0 20 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 8 27 1 0 27 28 1 0 29 1 1 0 30 1 1 0 31 2 1 0 32 2 1 0 33 3 1 0 34 4 1 0 35 4 1 0 36 5 1 0 37 6 1 0 38 11 1 0 39 12 1 0 40 13 1 0 41 14 1 0 42 16 1 0 43 16 1 0 44 19 1 0 45 20 1 0 46 21 1 0 47 21 1 0 48 22 1 0 49 22 1 0 50 23 1 0 51 24 1 0 52 24 1 0 53 25 1 0 54 28 1 0 M END $$$$