TDT2MOL Cc1c(C=O)n(c2ccccc12)S(=O)(=O)c3ccccc3 34 36 0 0 0 0 0 4.0300 1.5800 0.5800 C 0 0 0 3 0 0 2.6100 1.1200 0.4000 C 0 0 0 0 0 0 1.4800 1.7200 0.9800 C 0 0 0 0 0 0 1.4800 2.9300 1.8700 C 0 0 0 1 0 0 2.5600 3.4900 2.1500 O 0 0 0 0 0 0 0.3500 0.9900 0.5800 N 0 0 0 0 0 0 0.7900 -0.0500 -0.2400 C 0 0 0 0 0 0 0.0800 -1.0600 -0.8900 C 0 0 0 1 0 0 0.7900 -2.0000 -1.6700 C 0 0 0 1 0 0 2.1800 -1.9200 -1.7700 C 0 0 0 1 0 0 2.8800 -0.9000 -1.1100 C 0 0 0 1 0 0 2.1800 0.0300 -0.3500 C 0 0 0 0 0 0 -1.2600 1.3300 1.0200 S 0 0 0 0 0 0 -1.3600 1.3700 2.4700 O 0 0 0 0 0 0 -1.6500 2.6100 0.4800 O 0 0 0 0 0 0 -2.3500 0.0500 0.3900 C 0 0 0 0 0 0 -3.3700 0.3800 -0.5200 C 0 0 0 1 0 0 -4.2200 -0.6200 -1.0100 C 0 0 0 1 0 0 -4.0500 -1.9500 -0.6000 C 0 0 0 1 0 0 -3.0400 -2.2800 0.3100 C 0 0 0 1 0 0 -2.1800 -1.2800 0.8000 C 0 0 0 1 0 0 4.1200 2.6100 0.1800 H 0 0 0 0 0 0 4.7100 0.9100 0.0300 H 0 0 0 0 0 0 4.2800 1.5800 1.6500 H 0 0 0 0 0 0 0.5400 3.3200 2.2700 H 0 0 0 0 0 0 -1.0100 -1.1300 -0.8100 H 0 0 0 0 0 0 0.2400 -2.8000 -2.1900 H 0 0 0 0 0 0 2.7300 -2.6500 -2.3800 H 0 0 0 0 0 0 3.9800 -0.8400 -1.2000 H 0 0 0 0 0 0 -3.5000 1.4200 -0.8400 H 0 0 0 0 0 0 -5.0200 -0.3600 -1.7200 H 0 0 0 0 0 0 -4.7200 -2.7300 -0.9900 H 0 0 0 0 0 0 -2.9100 -3.3200 0.6300 H 0 0 0 0 0 0 -1.3900 -1.5400 1.5100 H 0 0 0 0 0 0 1 2 1 0 2 12 1 0 2 3 2 0 3 4 1 0 4 5 2 0 3 6 1 0 6 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 6 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 16 21 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 22 1 1 0 23 1 1 0 24 1 1 0 25 4 1 0 26 8 1 0 27 9 1 0 28 10 1 0 29 11 1 0 30 17 1 0 31 18 1 0 32 19 1 0 33 20 1 0 34 21 1 0 M END $$$$