TDT2MOL CCn1cc(C(=O)O)c(=O)c2sc3c(F)c(sc3c12)N4CCN(C)CC4 44 47 0 0 0 0 0 -2.9300 0.7100 -2.2800 C 0 0 0 3 0 0 -3.0600 -0.5900 -1.5400 C 0 0 0 2 0 0 -3.5100 -0.3400 -0.1900 N 0 0 0 0 0 0 -4.8800 -0.3600 0.1200 C 0 0 0 1 0 0 -5.3200 -0.1100 1.4200 C 0 0 0 0 0 0 -6.7900 -0.1400 1.7300 C 0 0 0 0 0 0 -7.6200 -0.3800 0.8200 O 0 0 0 0 0 0 -7.2200 0.1000 2.9900 O 0 0 0 1 0 0 -4.4000 0.1500 2.4400 C 0 0 0 0 0 0 -4.7800 0.3700 3.6000 O 0 0 0 0 0 0 -3.0500 0.1700 2.1200 C 0 0 0 0 0 0 -1.6400 0.4500 3.0600 S 0 0 0 0 0 0 -0.4800 0.2600 1.8100 C 0 0 0 0 0 0 0.8700 0.3200 1.6800 C 0 0 0 0 0 0 1.7100 0.5900 2.7300 F 0 0 0 0 0 0 1.3500 0.0800 0.3900 C 0 0 0 0 0 0 -0.0900 -0.2100 -0.5500 S 0 0 0 0 0 0 -1.2300 -0.0200 0.6900 C 0 0 0 0 0 0 -2.5900 -0.0700 0.8300 C 0 0 0 0 0 0 2.6700 0.0700 -0.0600 N 0 0 0 0 0 0 2.9400 0.4100 -1.4500 C 0 0 0 2 0 0 4.2100 -0.2600 -1.8800 C 0 0 0 2 0 0 5.3000 0.1100 -0.9900 N 0 0 0 0 0 0 6.5300 -0.5000 -1.4500 C 0 0 0 3 0 0 5.0100 -0.3500 0.3600 C 0 0 0 2 0 0 3.7600 0.3100 0.8700 C 0 0 0 2 0 0 -3.9100 1.2100 -2.3100 H 0 0 0 0 0 0 -2.5900 0.5200 -3.3100 H 0 0 0 0 0 0 -2.2000 1.3500 -1.7600 H 0 0 0 0 0 0 -3.7900 -1.2400 -2.0600 H 0 0 0 0 0 0 -2.0800 -1.1000 -1.5100 H 0 0 0 0 0 0 -5.6000 -0.5700 -0.6800 H 0 0 0 0 0 0 -6.9300 0.9600 3.2600 H 0 0 0 0 0 0 3.0500 1.5100 -1.5200 H 0 0 0 0 0 0 2.1000 0.0800 -2.0800 H 0 0 0 0 0 0 4.0800 -1.3500 -1.8500 H 0 0 0 0 0 0 4.4500 0.0400 -2.9100 H 0 0 0 0 0 0 6.7500 -0.1500 -2.4700 H 0 0 0 0 0 0 7.3500 -0.2200 -0.7800 H 0 0 0 0 0 0 6.4100 -1.5900 -1.4600 H 0 0 0 0 0 0 5.8500 -0.1000 1.0200 H 0 0 0 0 0 0 4.8700 -1.4400 0.3500 H 0 0 0 0 0 0 3.9200 1.4000 0.9500 H 0 0 0 0 0 0 3.5000 -0.0900 1.8600 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 19 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 2 0 9 11 1 0 11 19 2 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 16 20 1 0 20 26 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 27 1 1 0 28 1 1 0 29 1 1 0 30 2 1 0 31 2 1 0 32 4 1 0 33 8 1 0 34 21 1 0 35 21 1 0 36 22 1 0 37 22 1 0 38 24 1 0 39 24 1 0 40 24 1 0 41 25 1 0 42 25 1 0 43 26 1 0 44 26 1 0 M END $$$$