TDT2MOL ICC(NC(=O)c1cccc2c3cccc(C4=NC(CO4)c5ccccc5)c3oc12)c6ccccc6 59 64 0 0 0 0 0 -5.3500 -2.1500 -3.4300 I 0 0 0 0 0 0 -4.6300 -0.3400 -2.5100 C 0 0 0 2 0 0 -4.3100 -0.6100 -1.0700 C 0 0 0 1 0 0 -3.8100 0.6100 -0.4500 N 0 0 0 1 0 0 -2.4100 0.7200 -0.1000 C 0 0 0 0 0 0 -1.6400 -0.2400 -0.3300 O 0 0 0 0 0 0 -1.8600 1.9600 0.5300 C 0 0 0 0 0 0 -2.6800 3.0600 0.8100 C 0 0 0 1 0 0 -2.1400 4.2100 1.4000 C 0 0 0 1 0 0 -0.7800 4.2700 1.7200 C 0 0 0 1 0 0 0.0300 3.1700 1.4500 C 0 0 0 0 0 0 1.3900 2.9500 1.6500 C 0 0 0 0 0 0 2.3800 3.7500 2.2000 C 0 0 0 1 0 0 3.6900 3.2500 2.2700 C 0 0 0 1 0 0 3.9900 1.9700 1.8100 C 0 0 0 1 0 0 2.9800 1.1600 1.2600 C 0 0 0 0 0 0 3.3100 -0.2000 0.7600 C 0 0 0 0 0 0 4.4800 -0.6800 0.8200 N 0 0 0 0 0 0 4.4300 -2.0600 0.2400 C 0 0 0 1 0 0 3.0400 -2.1200 -0.2900 C 0 0 0 2 0 0 2.3700 -1.0300 0.2200 O 0 0 0 0 0 0 5.5200 -2.1800 -0.7700 C 0 0 0 0 0 0 5.8800 -3.4300 -1.2800 C 0 0 0 1 0 0 6.9100 -3.5400 -2.2200 C 0 0 0 1 0 0 7.5800 -2.4000 -2.6700 C 0 0 0 1 0 0 7.2200 -1.1400 -2.1600 C 0 0 0 1 0 0 6.2000 -1.0300 -1.2100 C 0 0 0 1 0 0 1.6900 1.6600 1.1800 C 0 0 0 0 0 0 0.5100 1.0900 0.6900 O 0 0 0 0 0 0 -0.5100 2.0200 0.8600 C 0 0 0 0 0 0 -5.5500 -1.0600 -0.3600 C 0 0 0 0 0 0 -6.5600 -0.1400 -0.0400 C 0 0 0 1 0 0 -7.7100 -0.5700 0.6200 C 0 0 0 1 0 0 -7.8600 -1.9200 0.9700 C 0 0 0 1 0 0 -6.8500 -2.8400 0.6500 C 0 0 0 1 0 0 -5.7000 -2.4100 -0.0100 C 0 0 0 1 0 0 -5.4000 0.4400 -2.5800 H 0 0 0 0 0 0 -3.7200 -0.0100 -3.0300 H 0 0 0 0 0 0 -3.5400 -1.3900 -1.0000 H 0 0 0 0 0 0 -4.4400 1.3600 -0.2800 H 0 0 0 0 0 0 -3.7500 3.0300 0.5700 H 0 0 0 0 0 0 -2.7900 5.0700 1.6200 H 0 0 0 0 0 0 -0.3600 5.1700 2.1900 H 0 0 0 0 0 0 2.1600 4.7600 2.5600 H 0 0 0 0 0 0 4.4900 3.8800 2.7100 H 0 0 0 0 0 0 5.0200 1.5900 1.8700 H 0 0 0 0 0 0 4.6300 -2.7400 1.0800 H 0 0 0 0 0 0 2.4800 -3.0200 0.0200 H 0 0 0 0 0 0 2.9700 -2.0300 -1.3800 H 0 0 0 0 0 0 5.3500 -4.3300 -0.9300 H 0 0 0 0 0 0 7.1800 -4.5300 -2.6200 H 0 0 0 0 0 0 8.3800 -2.4800 -3.4100 H 0 0 0 0 0 0 7.7500 -0.2400 -2.5100 H 0 0 0 0 0 0 5.9200 -0.0400 -0.8200 H 0 0 0 0 0 0 -6.4400 0.9200 -0.3100 H 0 0 0 0 0 0 -8.5000 0.1500 0.8700 H 0 0 0 0 0 0 -8.7700 -2.2600 1.4900 H 0 0 0 0 0 0 -6.9700 -3.9000 0.9300 H 0 0 0 0 0 0 -4.9100 -3.1300 -0.2600 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 30 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 30 2 0 11 12 1 0 12 28 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 21 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 27 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 16 28 2 0 28 29 1 0 29 30 1 0 3 31 1 0 31 36 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 37 2 1 0 38 2 1 0 39 3 1 0 40 4 1 0 41 8 1 0 42 9 1 0 43 10 1 0 44 13 1 0 45 14 1 0 46 15 1 0 47 19 1 0 48 20 1 0 49 20 1 0 50 23 1 0 51 24 1 0 52 25 1 0 53 26 1 0 54 27 1 0 55 32 1 0 56 33 1 0 57 34 1 0 58 35 1 0 59 36 1 0 M END $$$$