SMI2MOL 9 9 0 0 0 0 0 0 0 0999 V2000 -1.7500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 3.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 9 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 M END > 111111111 $$$$ SMI2MOL 10 10 0 0 0 0 0 0 0 0999 V2000 -1.7500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 3.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 3.2800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 10 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 M END > 1111111011 $$$$ SMI2MOL 20 20 0 0 0 0 0 0 0 0999 V2000 -1.7500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 3.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 3.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 3.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 5.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 5.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 4.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 5.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 5.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 5.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 5.9200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 4.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 9 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > 11111111100000000000 $$$$ SMI2MOL 22 23 0 0 0 0 0 0 0 0999 V2000 -1.7500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 3.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 2.4000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 1.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 3.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 2.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 2.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 3.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 1.4900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 1.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 9 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > 1111111110000000000000 $$$$ SMI2MOL 16 16 0 0 0 0 0 0 0 0999 V2000 -2.6300 2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 3.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.6300 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 16 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > 0100000111111101 $$$$