Indigocarmine.mol ChemDraw02200318222D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.5749 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 -0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0049 -0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0049 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -1.5472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 -0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -0.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5152 -0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 -1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 -0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 -0.2180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 -1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7374 -2.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9136 -1.7053 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5011 -2.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 -2.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 -0.9908 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 -5.1511 2.4197 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 -4.4367 2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4367 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 0.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 -0.0553 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 1 7 1 0 7 8 1 0 8 9 1 0 2 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 10 14 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 9 19 2 0 11 20 2 0 16 21 1 0 21 22 2 0 21 23 2 0 21 24 1 0 24 25 1 0 4 30 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 21 22 23 24 25 M SBL 1 1 24 M SMT 1 SO3Na M SBV 1 24 -4.7900 0.7239 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 26 27 28 29 30 M SBL 2 1 29 M SMT 2 NaO3S M SBV 2 29 -6.2224 1.5489 M END