TDT2MOL C=CCCCCN1C(NC(CCCC=C)C1c2ccccc2)c3ccccc3 62 64 0 0 0 0 0 3.8600 -3.6500 0.4900 C 0 0 0 2 0 0 2.5900 -3.2500 0.7000 C 0 0 0 1 0 0 2.3200 -1.9800 1.4500 C 0 0 0 2 0 0 3.0300 -0.8400 0.8000 C 0 0 0 2 0 0 2.8300 0.4200 1.5800 C 0 0 0 2 0 0 1.3600 0.7800 1.6200 C 0 0 0 2 0 0 0.8600 0.9200 0.3100 N 0 0 0 0 0 0 0.2200 2.1700 -0.0800 C 0 0 0 1 0 0 -0.9200 1.8200 -0.9100 N 0 0 0 1 0 0 -0.6400 0.4700 -1.4100 C 0 0 0 1 0 0 -1.8500 -0.2500 -1.8600 C 0 0 0 2 0 0 -3.0100 -0.0800 -0.9100 C 0 0 0 2 0 0 -4.2100 -0.8200 -1.4200 C 0 0 0 2 0 0 -3.8800 -2.2800 -1.5400 C 0 0 0 1 0 0 -4.3700 -3.1600 -0.6400 C 0 0 0 2 0 0 0.0700 -0.1700 -0.2400 C 0 0 0 1 0 0 -0.9000 -0.6300 0.8100 C 0 0 0 0 0 0 -1.6300 0.3100 1.5400 C 0 0 0 1 0 0 -2.5400 -0.1200 2.5200 C 0 0 0 1 0 0 -2.7200 -1.4800 2.7600 C 0 0 0 1 0 0 -1.9900 -2.4200 2.0300 C 0 0 0 1 0 0 -1.0800 -1.9900 1.0500 C 0 0 0 1 0 0 1.2300 3.0000 -0.8200 C 0 0 0 0 0 0 2.4700 2.4500 -1.1600 C 0 0 0 1 0 0 3.4200 3.2300 -1.8500 C 0 0 0 1 0 0 3.1100 4.5500 -2.2000 C 0 0 0 1 0 0 1.8700 5.0900 -1.8600 C 0 0 0 1 0 0 0.9300 4.3200 -1.1700 C 0 0 0 1 0 0 4.7000 -3.0400 0.8700 H 0 0 0 0 0 0 4.0700 -4.5800 -0.0600 H 0 0 0 0 0 0 1.7600 -3.8600 0.3200 H 0 0 0 0 0 0 2.6600 -2.0900 2.4900 H 0 0 0 0 0 0 1.2300 -1.8000 1.4400 H 0 0 0 0 0 0 2.6600 -0.7000 -0.2300 H 0 0 0 0 0 0 4.1100 -1.0600 0.7500 H 0 0 0 0 0 0 3.2200 0.3000 2.6000 H 0 0 0 0 0 0 3.3800 1.2500 1.0900 H 0 0 0 0 0 0 0.8300 0.0000 2.2000 H 0 0 0 0 0 0 1.2600 1.7100 2.2200 H 0 0 0 0 0 0 -0.1300 2.7300 0.8000 H 0 0 0 0 0 0 -1.1400 2.4600 -1.6100 H 0 0 0 0 0 0 0.1000 0.5800 -2.2300 H 0 0 0 0 0 0 -1.6300 -1.3300 -1.9500 H 0 0 0 0 0 0 -2.1800 0.1100 -2.8500 H 0 0 0 0 0 0 -2.7400 -0.4700 0.0800 H 0 0 0 0 0 0 -3.2500 0.9900 -0.8200 H 0 0 0 0 0 0 -5.0500 -0.6900 -0.7300 H 0 0 0 0 0 0 -4.4800 -0.4300 -2.4100 H 0 0 0 0 0 0 -3.2400 -2.6400 -2.3600 H 0 0 0 0 0 0 -5.0100 -2.8000 0.1800 H 0 0 0 0 0 0 -4.1300 -4.2300 -0.7200 H 0 0 0 0 0 0 0.7100 -1.0100 -0.5300 H 0 0 0 0 0 0 -1.5000 1.3900 1.3500 H 0 0 0 0 0 0 -3.1200 0.6200 3.1000 H 0 0 0 0 0 0 -3.4300 -1.8200 3.5300 H 0 0 0 0 0 0 -2.1200 -3.5000 2.2200 H 0 0 0 0 0 0 -0.5000 -2.7300 0.4700 H 0 0 0 0 0 0 2.7100 1.4100 -0.8800 H 0 0 0 0 0 0 4.3900 2.8000 -2.1100 H 0 0 0 0 0 0 3.8500 5.1600 -2.7400 H 0 0 0 0 0 0 1.6300 6.1300 -2.1300 H 0 0 0 0 0 0 -0.0500 4.7500 -0.9000 H 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 16 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 10 16 1 0 16 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 8 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 29 1 1 0 30 1 1 0 31 2 1 0 32 3 1 0 33 3 1 0 34 4 1 0 35 4 1 0 36 5 1 0 37 5 1 0 38 6 1 0 39 6 1 0 40 8 1 0 41 9 1 0 42 10 1 0 43 11 1 0 44 11 1 0 45 12 1 0 46 12 1 0 47 13 1 0 48 13 1 0 49 14 1 0 50 15 1 0 51 15 1 0 52 16 1 0 53 18 1 0 54 19 1 0 55 20 1 0 56 21 1 0 57 22 1 0 58 24 1 0 59 25 1 0 60 26 1 0 61 27 1 0 62 28 1 0 M END $$$$