TDT2MOL C1OC(=NC1c2ccccc2)c3ccc(cc3)c4ccccc4c5ccc(cc5)C6=NC(CO6)c7ccccc7 68 74 0 0 0 0 0 -4.4500 0.4000 3.1500 C 0 0 0 2 0 0 -3.5400 0.9600 2.2700 O 0 0 0 0 0 0 -3.5500 0.2000 1.1400 C 0 0 0 0 0 0 -4.2300 -0.8800 1.2300 N 0 0 0 0 0 0 -4.8000 -0.9400 2.6100 C 0 0 0 1 0 0 -6.2600 -1.2300 2.4700 C 0 0 0 0 0 0 -6.7400 -1.8900 1.3400 C 0 0 0 1 0 0 -8.1100 -2.1600 1.2100 C 0 0 0 1 0 0 -9.0000 -1.7700 2.2200 C 0 0 0 1 0 0 -8.5200 -1.1000 3.3500 C 0 0 0 1 0 0 -7.1500 -0.8400 3.4800 C 0 0 0 1 0 0 -2.8400 0.5900 -0.1000 C 0 0 0 0 0 0 -2.1100 1.7800 -0.1500 C 0 0 0 1 0 0 -1.4400 2.1500 -1.3200 C 0 0 0 1 0 0 -1.5000 1.3200 -2.4500 C 0 0 0 0 0 0 -2.2200 0.1300 -2.4000 C 0 0 0 1 0 0 -2.8900 -0.2400 -1.2300 C 0 0 0 1 0 0 -0.8100 1.7000 -3.6600 C 0 0 0 0 0 0 -1.5400 2.2800 -4.7100 C 0 0 0 1 0 0 -0.9000 2.6500 -5.9000 C 0 0 0 1 0 0 0.4800 2.4600 -6.0400 C 0 0 0 1 0 0 1.2100 1.8900 -4.9900 C 0 0 0 1 0 0 0.5700 1.5100 -3.8000 C 0 0 0 0 0 0 1.3500 0.9200 -2.7400 C 0 0 0 0 0 0 1.9600 1.7300 -1.7800 C 0 0 0 1 0 0 2.7200 1.1600 -0.7500 C 0 0 0 1 0 0 2.8600 -0.2300 -0.6700 C 0 0 0 0 0 0 2.2400 -1.0500 -1.6300 C 0 0 0 1 0 0 1.4900 -0.4700 -2.6600 C 0 0 0 1 0 0 3.6600 -0.8400 0.4200 C 0 0 0 0 0 0 4.2400 -0.1400 1.3100 N 0 0 0 0 0 0 4.9500 -1.0900 2.2300 C 0 0 0 1 0 0 4.5500 -2.4200 1.6900 C 0 0 0 2 0 0 3.8300 -2.1900 0.5400 O 0 0 0 0 0 0 6.4000 -0.7600 2.1500 C 0 0 0 0 0 0 7.3100 -1.3200 3.0600 C 0 0 0 1 0 0 8.6700 -1.0100 2.9800 C 0 0 0 1 0 0 9.1300 -0.1400 1.9900 C 0 0 0 1 0 0 8.2300 0.4300 1.0800 C 0 0 0 1 0 0 6.8700 0.1200 1.1600 C 0 0 0 1 0 0 -3.9700 0.3800 4.1400 H 0 0 0 0 0 0 -5.3000 1.1000 3.2000 H 0 0 0 0 0 0 -4.3000 -1.7800 3.1100 H 0 0 0 0 0 0 -6.0500 -2.2000 0.5500 H 0 0 0 0 0 0 -8.4900 -2.6800 0.3200 H 0 0 0 0 0 0 -10.0700 -1.9800 2.1200 H 0 0 0 0 0 0 -9.2200 -0.8000 4.1500 H 0 0 0 0 0 0 -6.7800 -0.3200 4.3800 H 0 0 0 0 0 0 -2.0700 2.4300 0.7400 H 0 0 0 0 0 0 -0.8700 3.0900 -1.3600 H 0 0 0 0 0 0 -2.2600 -0.5300 -3.2800 H 0 0 0 0 0 0 -3.4600 -1.1800 -1.1900 H 0 0 0 0 0 0 -2.6300 2.4300 -4.6000 H 0 0 0 0 0 0 -1.4800 3.1000 -6.7200 H 0 0 0 0 0 0 0.9800 2.7500 -6.9700 H 0 0 0 0 0 0 2.2900 1.7300 -5.1000 H 0 0 0 0 0 0 1.8600 2.8300 -1.8400 H 0 0 0 0 0 0 3.2000 1.8000 0.0000 H 0 0 0 0 0 0 2.3500 -2.1400 -1.5700 H 0 0 0 0 0 0 1.0000 -1.1200 -3.4100 H 0 0 0 0 0 0 4.5800 -0.8600 3.2400 H 0 0 0 0 0 0 3.8900 -2.9900 2.3600 H 0 0 0 0 0 0 5.4000 -3.0700 1.4200 H 0 0 0 0 0 0 6.9400 -2.0100 3.8300 H 0 0 0 0 0 0 9.3800 -1.4600 3.6900 H 0 0 0 0 0 0 10.2000 0.1100 1.9300 H 0 0 0 0 0 0 8.6000 1.1200 0.3000 H 0 0 0 0 0 0 6.1600 0.5700 0.4400 H 0 0 0 0 0 0 1 5 1 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 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 3 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 15 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 29 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 27 30 1 0 30 34 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 32 35 1 0 35 40 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 41 1 1 0 42 1 1 0 43 5 1 0 44 7 1 0 45 8 1 0 46 9 1 0 47 10 1 0 48 11 1 0 49 13 1 0 50 14 1 0 51 16 1 0 52 17 1 0 53 19 1 0 54 20 1 0 55 21 1 0 56 22 1 0 57 25 1 0 58 26 1 0 59 28 1 0 60 29 1 0 61 32 1 0 62 33 1 0 63 33 1 0 64 36 1 0 65 37 1 0 66 38 1 0 67 39 1 0 68 40 1 0 M END $$$$