TDT2MOL C1CC(C(C1)c2ccc(cc2)C3=NC(CO3)c4ccccc4)c5ccc(cc5)C6=NC(CO6)c7ccccc7 71 77 0 0 0 0 0 -0.6000 -2.4600 -2.1200 C 0 0 0 2 0 0 0.4600 -1.3900 -2.3400 C 0 0 0 2 0 0 0.3800 -0.5200 -1.1000 C 0 0 0 1 0 0 -0.3400 -1.3300 -0.0500 C 0 0 0 1 0 0 -0.4500 -2.7300 -0.6300 C 0 0 0 2 0 0 -1.7400 -0.8200 0.2500 C 0 0 0 0 0 0 -2.2800 -0.9700 1.5300 C 0 0 0 1 0 0 -3.5700 -0.5000 1.8000 C 0 0 0 1 0 0 -4.3200 0.1100 0.7900 C 0 0 0 0 0 0 -3.7800 0.2500 -0.4900 C 0 0 0 1 0 0 -2.4900 -0.2200 -0.7700 C 0 0 0 1 0 0 -5.6900 0.6100 1.0800 C 0 0 0 0 0 0 -6.4100 1.1700 0.1900 N 0 0 0 0 0 0 -7.7100 1.5300 0.8400 C 0 0 0 1 0 0 -7.4900 1.1500 2.2500 C 0 0 0 2 0 0 -6.2700 0.5000 2.3000 O 0 0 0 0 0 0 -8.7700 0.7600 0.1200 C 0 0 0 0 0 0 -8.4300 -0.3500 -0.6700 C 0 0 0 1 0 0 -9.4200 -1.0700 -1.3400 C 0 0 0 1 0 0 -10.7600 -0.6800 -1.2300 C 0 0 0 1 0 0 -11.1100 0.4300 -0.4500 C 0 0 0 1 0 0 -10.1200 1.1500 0.2200 C 0 0 0 1 0 0 1.7400 -0.0400 -0.6600 C 0 0 0 0 0 0 1.9500 0.3600 0.6700 C 0 0 0 1 0 0 3.2100 0.8000 1.0700 C 0 0 0 1 0 0 4.2700 0.8400 0.1500 C 0 0 0 0 0 0 4.0600 0.4400 -1.1800 C 0 0 0 1 0 0 2.7900 0.0000 -1.5800 C 0 0 0 1 0 0 5.6100 1.3100 0.5800 C 0 0 0 0 0 0 6.6000 1.3600 -0.2300 N 0 0 0 0 0 0 7.7800 1.8800 0.5500 C 0 0 0 1 0 0 7.2500 1.8900 1.9400 C 0 0 0 2 0 0 5.8800 1.7100 1.8400 O 0 0 0 0 0 0 8.9300 0.9700 0.2900 C 0 0 0 0 0 0 8.7600 -0.1700 -0.5100 C 0 0 0 1 0 0 9.8400 -1.0300 -0.7500 C 0 0 0 1 0 0 11.1000 -0.7400 -0.2000 C 0 0 0 1 0 0 11.2700 0.4000 0.5900 C 0 0 0 1 0 0 10.1800 1.2500 0.8400 C 0 0 0 1 0 0 -0.4700 -3.3600 -2.7200 H 0 0 0 0 0 0 -1.6000 -2.0300 -2.3000 H 0 0 0 0 0 0 1.4400 -1.9200 -2.4100 H 0 0 0 0 0 0 0.3000 -0.8800 -3.2900 H 0 0 0 0 0 0 -0.1600 0.4200 -1.3400 H 0 0 0 0 0 0 0.1600 -1.3600 0.9300 H 0 0 0 0 0 0 -1.2700 -3.3400 -0.2500 H 0 0 0 0 0 0 0.5000 -3.2900 -0.4800 H 0 0 0 0 0 0 -1.6800 -1.4500 2.3200 H 0 0 0 0 0 0 -3.9900 -0.6100 2.8100 H 0 0 0 0 0 0 -4.3700 0.7300 -1.2900 H 0 0 0 0 0 0 -2.0600 -0.1100 -1.7700 H 0 0 0 0 0 0 -7.8500 2.6000 0.6500 H 0 0 0 0 0 0 -7.4000 2.0100 2.9400 H 0 0 0 0 0 0 -8.2300 0.4600 2.6700 H 0 0 0 0 0 0 -7.3800 -0.6500 -0.7500 H 0 0 0 0 0 0 -9.1500 -1.9400 -1.9500 H 0 0 0 0 0 0 -11.5400 -1.2500 -1.7600 H 0 0 0 0 0 0 -12.1600 0.7300 -0.3600 H 0 0 0 0 0 0 -10.3900 2.0200 0.8400 H 0 0 0 0 0 0 1.1200 0.3300 1.3900 H 0 0 0 0 0 0 3.3800 1.1100 2.1100 H 0 0 0 0 0 0 4.8800 0.4700 -1.9000 H 0 0 0 0 0 0 2.6200 -0.3200 -2.6200 H 0 0 0 0 0 0 7.9800 2.8700 0.1400 H 0 0 0 0 0 0 7.4200 2.8300 2.4800 H 0 0 0 0 0 0 7.6200 1.0500 2.5600 H 0 0 0 0 0 0 7.7700 -0.4000 -0.9400 H 0 0 0 0 0 0 9.7000 -1.9200 -1.3800 H 0 0 0 0 0 0 11.9500 -1.4100 -0.4000 H 0 0 0 0 0 0 12.2500 0.6200 1.0200 H 0 0 0 0 0 0 10.3200 2.1500 1.4600 H 0 0 0 0 0 0 1 5 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 9 12 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 14 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 3 23 1 0 23 28 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 26 29 1 0 29 33 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 31 34 1 0 34 39 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 40 1 1 0 41 1 1 0 42 2 1 0 43 2 1 0 44 3 1 0 45 4 1 0 46 5 1 0 47 5 1 0 48 7 1 0 49 8 1 0 50 10 1 0 51 11 1 0 52 14 1 0 53 15 1 0 54 15 1 0 55 18 1 0 56 19 1 0 57 20 1 0 58 21 1 0 59 22 1 0 60 24 1 0 61 25 1 0 62 27 1 0 63 28 1 0 64 31 1 0 65 32 1 0 66 32 1 0 67 35 1 0 68 36 1 0 69 37 1 0 70 38 1 0 71 39 1 0 M END $$$$