{>1.3 enol/thioenol} {>1.3 enol/thioenol} APtclcactv04192413112D 0 0.00000 0.00000 15 14 0 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 3 8 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ C5H8O2 APtclcactv04192413112D 0 0.00000 0.00000 15 14 0 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ {>1.3 enol/thioenol} APtclcactv04192413112D 0 0.00000 0.00000 15 14 0 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 3 11 1 0 0 0 0 M END $$$$ {>1.3 enol/thioenol} {>1.3 enol/thioenol} APtclcactv04192413112D 0 0.00000 0.00000 15 14 0 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 3 8 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ {>1.3 enol/thioenol} APtclcactv04192413112D 0 0.00000 0.00000 15 14 0 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$