TDT2MOL COC(=O)C1=C(C(=O)OC)C2(C)C=Cc3ccccc3C2C=C(*)S1])S1 42 44 0 0 0 0 0 -5.3700 -1.1000 -1.0900 C 0 0 0 3 0 0 -4.1000 -1.0200 -1.5200 O 0 0 0 0 0 0 -3.4100 -0.1900 -0.7000 C 0 0 0 0 0 0 -4.0500 0.6400 -0.0300 O 0 0 0 0 0 0 -1.9200 -0.3300 -0.6700 C 0 0 0 0 0 0 -1.0700 0.3900 0.0600 C 0 0 0 0 0 0 -1.5900 1.4800 0.9800 C 0 0 0 0 0 0 -0.7600 2.1300 1.6600 O 0 0 0 0 0 0 -2.8900 1.7700 1.1000 O 0 0 0 0 0 0 -3.0400 3.0000 1.6500 C 0 0 0 3 0 0 0.4300 0.2900 0.1100 C 0 0 0 0 0 0 0.9700 1.6200 -0.3900 C 0 0 0 3 0 0 0.8500 0.1500 1.5600 C 0 0 0 1 0 0 2.1300 -0.1900 1.8200 C 0 0 0 1 0 0 3.0800 -0.4000 0.6700 C 0 0 0 0 0 0 4.4600 -0.2900 0.8200 C 0 0 0 1 0 0 5.2900 -0.5000 -0.2800 C 0 0 0 1 0 0 4.7500 -0.8200 -1.5300 C 0 0 0 1 0 0 3.3600 -0.9200 -1.6900 C 0 0 0 1 0 0 2.5400 -0.7100 -0.5800 C 0 0 0 0 0 0 1.0300 -0.8100 -0.6700 C 0 0 0 1 0 0 0.7000 -2.1800 -0.1400 C 0 0 0 1 0 0 -0.4300 -2.7400 -0.6100 C 0 0 0 0 0 0 -0.9100 -3.9900 -0.2500 R 0 0 0 0 0 0 -1.3000 -1.6500 -1.7900 S 0 0 0 0 0 0 -5.3900 -1.4900 -0.0700 H 0 0 0 0 0 0 -5.8300 -0.1000 -1.1200 H 0 0 0 0 0 0 -5.9400 -1.7800 -1.7500 H 0 0 0 0 0 0 -2.5700 3.0200 2.6400 H 0 0 0 0 0 0 -4.1100 3.2200 1.7400 H 0 0 0 0 0 0 -2.5600 3.7400 0.9900 H 0 0 0 0 0 0 0.5900 2.4500 0.2200 H 0 0 0 0 0 0 2.0700 1.6100 -0.3300 H 0 0 0 0 0 0 0.6700 1.7500 -1.4400 H 0 0 0 0 0 0 0.1300 0.3100 2.3600 H 0 0 0 0 0 0 2.4800 -0.3000 2.8600 H 0 0 0 0 0 0 4.9000 -0.0500 1.8000 H 0 0 0 0 0 0 6.3900 -0.4200 -0.1700 H 0 0 0 0 0 0 5.4100 -0.9800 -2.4000 H 0 0 0 0 0 0 2.9300 -1.1700 -2.6700 H 0 0 0 0 0 0 0.7300 -0.7500 -1.7300 H 0 0 0 0 0 0 1.3500 -2.6900 0.5800 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 25 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 6 11 1 0 11 21 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 26 1 1 0 27 1 1 0 28 1 1 0 29 10 1 0 30 10 1 0 31 10 1 0 32 12 1 0 33 12 1 0 34 12 1 0 35 13 1 0 36 14 1 0 37 16 1 0 38 17 1 0 39 18 1 0 40 19 1 0 41 21 1 0 42 22 1 0 M END $$$$