TDT2MOL O=c1c2C3=C(Cc2nc4SCCn41)CC(Cc5ccccc5)CC3 44 48 0 0 0 0 0 2.9100 1.9200 0.2400 O 0 0 0 0 0 0 3.2800 0.7900 -0.0900 C 0 0 0 0 0 0 2.4200 -0.2700 -0.2000 C 0 0 0 0 0 0 0.9300 -0.3400 0.0400 C 0 0 0 0 0 0 0.5200 -1.6400 -0.2000 C 0 0 0 0 0 0 1.6800 -2.5400 -0.6100 C 0 0 0 2 0 0 2.8600 -1.5900 -0.5900 C 0 0 0 0 0 0 4.1800 -1.8500 -0.8700 N 0 0 0 0 0 0 5.0400 -0.7700 -0.7600 C 0 0 0 0 0 0 6.8400 -0.7300 -1.0600 S 0 0 0 0 0 0 7.0400 1.0500 -0.4900 C 0 0 0 2 0 0 5.6600 1.5700 -0.3100 C 0 0 0 2 0 0 4.6300 0.5300 -0.3800 N 0 0 0 0 0 0 -0.8900 -2.0500 -0.0600 C 0 0 0 2 0 0 -1.8200 -0.8600 -0.0500 C 0 0 0 1 0 0 -3.2000 -1.3000 0.3200 C 0 0 0 2 0 0 -4.1300 -0.1200 0.2900 C 0 0 0 0 0 0 -4.5000 0.5100 1.4900 C 0 0 0 1 0 0 -5.3700 1.6100 1.4600 C 0 0 0 1 0 0 -5.8700 2.0700 0.2400 C 0 0 0 1 0 0 -5.5100 1.4400 -0.9600 C 0 0 0 1 0 0 -4.6400 0.3400 -0.9300 C 0 0 0 1 0 0 -1.3100 0.1700 0.9200 C 0 0 0 2 0 0 0.0000 0.7300 0.4400 C 0 0 0 2 0 0 1.5200 -2.9200 -1.6200 H 0 0 0 0 0 0 1.8100 -3.3300 0.1200 H 0 0 0 0 0 0 7.6500 1.5200 -1.2700 H 0 0 0 0 0 0 7.6300 0.9600 0.4300 H 0 0 0 0 0 0 5.5200 2.0900 0.6500 H 0 0 0 0 0 0 5.3800 2.3100 -1.1000 H 0 0 0 0 0 0 -1.1800 -2.7500 -0.8600 H 0 0 0 0 0 0 -0.9800 -2.5900 0.9100 H 0 0 0 0 0 0 -1.8500 -0.4200 -1.0700 H 0 0 0 0 0 0 -3.5500 -2.0600 -0.3900 H 0 0 0 0 0 0 -3.1900 -1.7300 1.3400 H 0 0 0 0 0 0 -4.1000 0.1500 2.4500 H 0 0 0 0 0 0 -5.6500 2.1100 2.3900 H 0 0 0 0 0 0 -6.5500 2.9300 0.2100 H 0 0 0 0 0 0 -5.9000 1.8000 -1.9200 H 0 0 0 0 0 0 -4.3500 -0.1600 -1.8600 H 0 0 0 0 0 0 -1.1900 -0.3000 1.9100 H 0 0 0 0 0 0 -2.0500 0.9900 1.0200 H 0 0 0 0 0 0 0.4500 1.3600 1.2300 H 0 0 0 0 0 0 -0.1700 1.3800 -0.4400 H 0 0 0 0 0 0 1 2 2 0 2 13 1 0 2 3 1 0 3 7 2 0 3 4 1 0 4 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 22 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 15 23 1 0 23 24 1 0 25 6 1 0 26 6 1 0 27 11 1 0 28 11 1 0 29 12 1 0 30 12 1 0 31 14 1 0 32 14 1 0 33 15 1 0 34 16 1 0 35 16 1 0 36 18 1 0 37 19 1 0 38 20 1 0 39 21 1 0 40 22 1 0 41 23 1 0 42 23 1 0 43 24 1 0 44 24 1 0 M END $$$$