TDT2MOL O=c1c2C3=C(Cc2nc4SCCCn41)CCCC3 34 37 0 0 0 0 0 0.8100 2.0000 0.0300 O 0 0 0 0 0 0 0.9300 0.7600 -0.1200 C 0 0 0 0 0 0 -0.1600 -0.0600 -0.2700 C 0 0 0 0 0 0 -1.6200 0.2500 -0.3000 C 0 0 0 0 0 0 -2.3100 -0.9600 -0.4800 C 0 0 0 0 0 0 -1.3600 -2.1400 -0.5800 C 0 0 0 2 0 0 0.0000 -1.4800 -0.4400 C 0 0 0 0 0 0 1.2500 -2.0500 -0.4500 N 0 0 0 0 0 0 2.3400 -1.2000 -0.2900 C 0 0 0 0 0 0 4.0400 -1.8400 -0.2800 S 0 0 0 0 0 0 5.1800 -0.4700 -0.0200 C 0 0 0 2 0 0 4.5500 0.6600 0.7500 C 0 0 0 2 0 0 3.3200 1.1300 0.0300 C 0 0 0 2 0 0 2.2300 0.1900 -0.1200 N 0 0 0 0 0 0 -3.7800 -0.8900 -0.5500 C 0 0 0 2 0 0 -4.2900 -0.0300 0.6100 C 0 0 0 2 0 0 -3.5100 1.2100 0.8500 C 0 0 0 2 0 0 -2.4300 1.4800 -0.1900 C 0 0 0 2 0 0 -1.4400 -2.6200 -1.5600 H 0 0 0 0 0 0 -1.5300 -2.8300 0.2400 H 0 0 0 0 0 0 6.0600 -0.8300 0.5200 H 0 0 0 0 0 0 5.4900 -0.0900 -1.0100 H 0 0 0 0 0 0 4.2600 0.2900 1.7500 H 0 0 0 0 0 0 5.2700 1.4700 0.8500 H 0 0 0 0 0 0 2.9100 2.0100 0.5700 H 0 0 0 0 0 0 3.6200 1.4800 -0.9800 H 0 0 0 0 0 0 -4.2400 -1.8800 -0.5700 H 0 0 0 0 0 0 -4.0300 -0.3800 -1.5100 H 0 0 0 0 0 0 -4.3100 -0.7000 1.5100 H 0 0 0 0 0 0 -5.3700 0.1500 0.4200 H 0 0 0 0 0 0 -4.1400 2.1300 0.8800 H 0 0 0 0 0 0 -2.9800 1.2100 1.8300 H 0 0 0 0 0 0 -2.9300 1.6600 -1.1700 H 0 0 0 0 0 0 -1.8300 2.3600 0.0600 H 0 0 0 0 0 0 1 2 2 0 2 14 1 0 2 3 1 0 3 7 2 0 3 4 1 0 4 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 5 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 6 1 0 20 6 1 0 21 11 1 0 22 11 1 0 23 12 1 0 24 12 1 0 25 13 1 0 26 13 1 0 27 15 1 0 28 15 1 0 29 16 1 0 30 16 1 0 31 17 1 0 32 17 1 0 33 18 1 0 34 18 1 0 M END $$$$