iocarmic acid CDK 0222172010 42 43 0 0 0 0 0 0 0 0999 V2000 -2.1454 -3.6235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 -3.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -2.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 -2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5743 -3.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1454 -1.9735 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.5743 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5743 -4.4485 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.2888 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 -3.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5743 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2888 -2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 -3.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4269 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2888 -0.7370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 -0.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 -1.9735 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -5.7177 -3.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 -4.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -3.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -4.4485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -3.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -5.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -4.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -6.0985 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -6.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -3.6235 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2847 -4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -6.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2847 -5.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -4.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -7.3370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -7.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -6.0985 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 -4.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -3.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.9235 0.0000 C 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 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 31 34 1 0 0 0 0 31 35 2 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 41 2 0 0 0 0 37 42 1 0 0 0 0 M END