-ISIS- 02050717142D 9 8 0 0 0 0 0 0 0 0999 V2000 -0.7500 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -1.7750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -4.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 8 9 1 0 0 0 0 9 6 1 0 0 0 0 3 5 1 0 0 0 0 M END > (1) LAB000000123 $$$$ -ISIS- 02050717142D 12 13 0 0 0 0 0 0 0 0999 V2000 1.8292 -5.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -3.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3750 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 7 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 5 2 1 0 0 0 0 12 11 1 0 0 0 0 M END > (2) LAB000000456 $$$$ -ISIS- 02050717142D 10 9 0 0 1 0 0 0 0 0999 V2000 3.9000 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 M END > (3) LAB000000789 $$$$