TDT2MOL Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1Cc2cnc(C)nc2N 45 46 0 0 0 0 0 0.1600 2.2800 1.1100 C 0 0 0 3 0 0 0.3200 1.3600 -0.0900 C 0 0 0 0 0 0 -0.7700 0.9300 -0.8500 C 0 0 0 0 0 0 -2.2100 1.2700 -0.6500 C 0 0 0 2 0 0 -3.0600 0.1000 -1.0200 C 0 0 0 2 0 0 -4.3600 0.4100 -0.8800 O 0 0 0 0 0 0 -4.8300 0.4000 0.5900 P 0 0 0 0 0 0 -4.1400 1.5100 1.3300 O 0 0 0 0 0 0 -4.4700 -0.9500 1.2600 O 0 0 0 1 0 0 -6.3500 0.6500 0.6400 O 0 0 0 0 0 0 -7.2200 -0.5600 0.2600 P 0 0 0 0 0 0 -8.6000 -0.0600 -0.1000 O 0 0 0 0 0 0 -7.3600 -1.5200 1.4700 O 0 0 0 1 0 0 -6.6500 -1.3200 -0.9500 O 0 0 0 1 0 0 -0.0700 -0.0700 -2.0700 S 0 0 0 0 0 0 1.5800 0.0600 -1.6000 C 0 0 0 1 0 0 1.5600 0.9000 -0.4900 N 0 3 0 0 0 0 2.7900 1.2700 0.2300 C 0 0 0 2 0 0 3.7600 0.1400 0.1200 C 0 0 0 0 0 0 3.2900 -1.1600 -0.1500 C 0 0 0 1 0 0 4.1800 -2.2300 -0.2500 N 0 0 0 0 0 0 5.5600 -2.0100 -0.0900 C 0 0 0 0 0 0 6.5200 -3.1500 -0.2000 C 0 0 0 3 0 0 6.0300 -0.7200 0.1700 N 0 0 0 0 0 0 5.1300 0.3600 0.2800 C 0 0 0 0 0 0 5.6200 1.6400 0.5400 N 0 0 0 2 0 0 1.0900 2.8300 1.2700 H 0 0 0 0 0 0 -0.6600 2.9700 0.8900 H 0 0 0 0 0 0 -0.0800 1.6700 1.9900 H 0 0 0 0 0 0 -2.3800 1.5300 0.4100 H 0 0 0 0 0 0 -2.4700 2.1300 -1.2800 H 0 0 0 0 0 0 -2.7900 -0.7700 -0.4100 H 0 0 0 0 0 0 -2.8800 -0.1600 -2.0900 H 0 0 0 0 0 0 -4.7900 -1.6800 0.7500 H 0 0 0 0 0 0 -6.5100 -1.8000 1.7600 H 0 0 0 0 0 0 -7.2000 -2.0600 -1.1700 H 0 0 0 0 0 0 2.4600 -0.4000 -2.0700 H 0 0 0 0 0 0 3.2000 2.1700 -0.2400 H 0 0 0 0 0 0 2.5500 1.4600 1.2800 H 0 0 0 0 0 0 2.2100 -1.3300 -0.2700 H 0 0 0 0 0 0 6.1200 -3.9100 -0.8900 H 0 0 0 0 0 0 6.6700 -3.6000 0.7900 H 0 0 0 0 0 0 7.4800 -2.7800 -0.5800 H 0 0 0 0 0 0 6.6000 1.7900 0.6500 H 0 0 0 0 0 0 4.9900 2.4100 0.6200 H 0 0 0 0 0 0 1 2 1 0 2 17 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 11 14 1 0 3 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 25 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 27 1 1 0 28 1 1 0 29 1 1 0 30 4 1 0 31 4 1 0 32 5 1 0 33 5 1 0 34 9 1 0 35 13 1 0 36 14 1 0 37 16 1 0 38 18 1 0 39 18 1 0 40 20 1 0 41 23 1 0 42 23 1 0 43 23 1 0 44 26 1 0 45 26 1 0 M END $$$$