TDT2MOL CC1(C)C2CCC3(C)Oc4cc(oc(=O)c4CC3C2(C)CCC1=O)c5ccccc5 60 64 0 0 0 0 0 4.9100 -0.6100 1.0000 C 0 0 0 3 0 0 4.3500 -0.7200 -0.3700 C 0 0 0 0 0 0 4.9500 -1.9300 -1.1000 C 0 0 0 3 0 0 2.8400 -0.8100 -0.4500 C 0 0 0 1 0 0 2.3400 -1.9600 0.3700 C 0 0 0 2 0 0 0.8600 -2.1400 0.1700 C 0 0 0 2 0 0 0.1300 -0.8900 0.6300 C 0 0 0 0 0 0 0.2100 -0.7100 2.1000 C 0 0 0 3 0 0 -1.1700 -1.1300 0.2600 O 0 0 0 0 0 0 -2.0100 -0.0700 0.0800 C 0 0 0 0 0 0 -3.3900 -0.3300 -0.0400 C 0 0 0 1 0 0 -4.2900 0.7300 -0.2300 C 0 0 0 0 0 0 -3.8300 2.0500 -0.3100 O 0 0 0 0 0 0 -2.4600 2.3100 -0.1900 C 0 0 0 0 0 0 -2.0400 3.4900 -0.2500 O 0 0 0 0 0 0 -1.5800 1.2600 0.0000 C 0 0 0 0 0 0 -0.0900 1.5200 0.1400 C 0 0 0 2 0 0 0.6500 0.2700 -0.1800 C 0 0 0 1 0 0 2.1500 0.4600 -0.0600 C 0 0 0 0 0 0 2.5200 0.8700 1.3300 C 0 0 0 3 0 0 2.5600 1.5700 -1.0000 C 0 0 0 2 0 0 4.0400 1.7700 -1.0000 C 0 0 0 2 0 0 4.7300 0.4700 -1.2500 C 0 0 0 0 0 0 5.5800 0.3200 -2.1400 O 0 0 0 0 0 0 -5.7000 0.4400 -0.3600 C 0 0 0 0 0 0 -6.6300 1.1200 0.4400 C 0 0 0 1 0 0 -7.9900 0.8500 0.3200 C 0 0 0 1 0 0 -8.4400 -0.1200 -0.6000 C 0 0 0 1 0 0 -7.5100 -0.8000 -1.3900 C 0 0 0 1 0 0 -6.1400 -0.5200 -1.2700 C 0 0 0 1 0 0 5.6900 -1.3700 1.2700 H 0 0 0 0 0 0 5.4100 0.3600 1.2200 H 0 0 0 0 0 0 4.1600 -0.7300 1.8100 H 0 0 0 0 0 0 6.0400 -1.8000 -1.1600 H 0 0 0 0 0 0 4.5200 -2.0300 -2.1000 H 0 0 0 0 0 0 4.7500 -2.8300 -0.5100 H 0 0 0 0 0 0 2.5500 -1.0200 -1.5100 H 0 0 0 0 0 0 2.5400 -1.8000 1.4400 H 0 0 0 0 0 0 2.8500 -2.8900 0.0600 H 0 0 0 0 0 0 0.6900 -2.3300 -0.9100 H 0 0 0 0 0 0 0.5100 -3.0000 0.7500 H 0 0 0 0 0 0 -0.7000 -1.0100 2.6800 H 0 0 0 0 0 0 1.0100 -1.3000 2.6100 H 0 0 0 0 0 0 0.3800 0.3400 2.4100 H 0 0 0 0 0 0 -3.7500 -1.3600 0.0200 H 0 0 0 0 0 0 0.0600 1.8600 1.1700 H 0 0 0 0 0 0 0.1300 2.3400 -0.5500 H 0 0 0 0 0 0 0.4500 0.0400 -1.2600 H 0 0 0 0 0 0 3.6000 1.1200 1.4000 H 0 0 0 0 0 0 2.3200 0.0800 2.0500 H 0 0 0 0 0 0 1.9800 1.7800 1.6200 H 0 0 0 0 0 0 2.2400 1.2900 -2.0200 H 0 0 0 0 0 0 2.0800 2.5200 -0.7200 H 0 0 0 0 0 0 4.3300 2.4900 -1.8000 H 0 0 0 0 0 0 4.4000 2.2000 -0.0500 H 0 0 0 0 0 0 -6.2800 1.8800 1.1600 H 0 0 0 0 0 0 -8.7200 1.3900 0.9400 H 0 0 0 0 0 0 -9.5100 -0.3300 -0.6900 H 0 0 0 0 0 0 -7.8600 -1.5600 -2.1100 H 0 0 0 0 0 0 -5.4200 -1.0600 -1.9000 H 0 0 0 0 0 0 1 2 1 0 2 23 1 0 2 3 1 0 2 4 1 0 4 19 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 18 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 16 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 12 25 1 0 25 30 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 31 1 1 0 32 1 1 0 33 1 1 0 34 3 1 0 35 3 1 0 36 3 1 0 37 4 1 0 38 5 1 0 39 5 1 0 40 6 1 0 41 6 1 0 42 8 1 0 43 8 1 0 44 8 1 0 45 11 1 0 46 17 1 0 47 17 1 0 48 18 1 0 49 20 1 0 50 20 1 0 51 20 1 0 52 21 1 0 53 21 1 0 54 22 1 0 55 22 1 0 56 26 1 0 57 27 1 0 58 28 1 0 59 29 1 0 60 30 1 0 M END $$$$