ChEBI 22 21 0 0 1 0 0 0 0 0 1 V2000 14.1681 -6.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8164 -5.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5164 -5.9244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1785 -7.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5923 -6.4727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8164 -5.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8681 -6.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4578 -7.6037 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.3233 -5.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2164 -5.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8681 -7.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4578 -8.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9716 -6.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5681 -6.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8095 -8.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9716 -6.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6199 -5.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 -5.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2681 -6.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 -5.1727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6199 -5.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2716 -7.0486 0.0000 O 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 1 6 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 M END