TDT2MOL CCCCCC1NC(C(C1c2ccccc2)c3ccccc3)c4ccccc4 59 62 0 0 0 0 0 -5.4000 0.9400 -0.8900 C 0 0 0 3 0 0 -4.1300 0.2800 -0.4600 C 0 0 0 2 0 0 -4.3100 -0.3300 0.9000 C 0 0 0 2 0 0 -3.0100 -0.9300 1.3900 C 0 0 0 2 0 0 -1.8800 0.0400 1.4200 C 0 0 0 2 0 0 -0.9900 -0.0100 0.2000 C 0 0 0 1 0 0 -0.1800 1.2300 0.1000 N 0 0 0 1 0 0 0.9400 0.8500 -0.7500 C 0 0 0 1 0 0 1.3500 -0.4600 -0.1000 C 0 0 0 1 0 0 0.0200 -1.1300 0.1700 C 0 0 0 1 0 0 -0.2600 -2.2300 -0.8300 C 0 0 0 0 0 0 -1.5000 -2.4300 -1.4200 C 0 0 0 1 0 0 -1.6900 -3.4700 -2.3400 C 0 0 0 1 0 0 -0.6300 -4.3200 -2.6800 C 0 0 0 1 0 0 0.6200 -4.1200 -2.0800 C 0 0 0 1 0 0 0.8100 -3.0900 -1.1600 C 0 0 0 1 0 0 2.0900 -0.1200 1.1700 C 0 0 0 0 0 0 1.4600 0.6300 2.1600 C 0 0 0 1 0 0 2.1500 0.9500 3.3400 C 0 0 0 1 0 0 3.4600 0.5100 3.5300 C 0 0 0 1 0 0 4.0900 -0.2500 2.5300 C 0 0 0 1 0 0 3.4100 -0.5600 1.3500 C 0 0 0 1 0 0 1.9800 1.8900 -0.8400 C 0 0 0 0 0 0 2.1100 2.5700 -2.0800 C 0 0 0 1 0 0 3.0700 3.5700 -2.2500 C 0 0 0 1 0 0 3.9200 3.9200 -1.2000 C 0 0 0 1 0 0 3.8000 3.2500 0.0300 C 0 0 0 1 0 0 2.8300 2.2500 0.2000 C 0 0 0 1 0 0 -6.2100 0.2000 -0.9300 H 0 0 0 0 0 0 -5.2600 1.3900 -1.8900 H 0 0 0 0 0 0 -5.6600 1.7300 -0.1700 H 0 0 0 0 0 0 -3.3200 1.0200 -0.4200 H 0 0 0 0 0 0 -3.8700 -0.5100 -1.1900 H 0 0 0 0 0 0 -4.6100 0.4700 1.6000 H 0 0 0 0 0 0 -5.1000 -1.0900 0.8600 H 0 0 0 0 0 0 -3.2300 -1.3500 2.4000 H 0 0 0 0 0 0 -2.7800 -1.8100 0.7600 H 0 0 0 0 0 0 -2.2500 1.0700 1.5900 H 0 0 0 0 0 0 -1.1900 -0.1300 2.2900 H 0 0 0 0 0 0 -1.6400 -0.0300 -0.7000 H 0 0 0 0 0 0 -0.6600 2.0100 -0.2500 H 0 0 0 0 0 0 0.5500 0.6400 -1.7700 H 0 0 0 0 0 0 2.0400 -0.9900 -0.7500 H 0 0 0 0 0 0 0.0400 -1.6800 1.1400 H 0 0 0 0 0 0 -2.3600 -1.8000 -1.1900 H 0 0 0 0 0 0 -2.6800 -3.6100 -2.8000 H 0 0 0 0 0 0 -0.7800 -5.1300 -3.4000 H 0 0 0 0 0 0 1.4600 -4.7800 -2.3300 H 0 0 0 0 0 0 1.8000 -2.9600 -0.7000 H 0 0 0 0 0 0 0.4300 0.9900 2.0200 H 0 0 0 0 0 0 1.6500 1.5400 4.1200 H 0 0 0 0 0 0 4.0000 0.7600 4.4500 H 0 0 0 0 0 0 5.1300 -0.5900 2.6700 H 0 0 0 0 0 0 3.9000 -1.1600 0.5700 H 0 0 0 0 0 0 1.4400 2.2900 -2.9100 H 0 0 0 0 0 0 3.1500 4.0900 -3.2200 H 0 0 0 0 0 0 4.6700 4.7000 -1.3300 H 0 0 0 0 0 0 4.4600 3.5200 0.8700 H 0 0 0 0 0 0 2.7800 1.7500 1.1800 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 1 0 6 10 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 9 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 1 1 0 32 2 1 0 33 2 1 0 34 3 1 0 35 3 1 0 36 4 1 0 37 4 1 0 38 5 1 0 39 5 1 0 40 6 1 0 41 7 1 0 42 8 1 0 43 9 1 0 44 10 1 0 45 12 1 0 46 13 1 0 47 14 1 0 48 15 1 0 49 16 1 0 50 18 1 0 51 19 1 0 52 20 1 0 53 21 1 0 54 22 1 0 55 24 1 0 56 25 1 0 57 26 1 0 58 27 1 0 59 28 1 0 M END $$$$