HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Isochlorogenic acid b SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 5.368 -1.688 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 2.700 -0.152 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 8.027 -0.149 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 7.235 4.826 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 7.939 2.253 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 2.701 -1.690 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 1.357 2.153 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 0.038 -9.387 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 -6.633 0.591 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 2.710 -10.927 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 -6.636 -2.492 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 5.359 2.930 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 5.367 -0.148 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 4.030 0.623 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 6.693 0.621 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 4.021 2.159 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.696 2.161 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 6.845 3.337 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 5.359 4.470 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 4.035 -2.459 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 1.363 0.613 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 4.036 -3.999 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 0.032 -0.162 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 2.705 -6.310 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.635 -0.172 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 2.703 -4.770 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.304 0.603 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 1.371 -8.617 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.299 -0.179 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 1.370 -7.078 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -3.971 0.592 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 2.706 -9.387 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.302 -1.723 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 4.036 -7.072 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.630 -1.722 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 4.044 -8.608 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.967 -2.494 0.000 0.00 0.00 C+0 CONECT 1 13 20 CONECT 2 14 21 CONECT 3 15 CONECT 4 18 CONECT 5 18 CONECT 6 20 CONECT 7 21 CONECT 8 28 CONECT 9 29 CONECT 10 32 CONECT 11 33 CONECT 12 16 17 18 19 CONECT 13 1 14 15 CONECT 14 2 13 16 CONECT 15 3 13 17 CONECT 16 12 14 CONECT 17 12 15 CONECT 18 4 5 12 CONECT 19 12 CONECT 20 1 6 22 CONECT 21 2 7 23 CONECT 22 20 26 CONECT 23 21 27 CONECT 24 26 30 34 CONECT 25 27 31 35 CONECT 26 22 24 CONECT 27 23 25 CONECT 28 8 30 32 CONECT 29 9 31 33 CONECT 30 24 28 CONECT 31 25 29 CONECT 32 10 28 36 CONECT 33 11 29 37 CONECT 34 24 36 CONECT 35 25 37 CONECT 36 32 34 CONECT 37 33 35 MASTER 0 0 0 0 0 0 0 0 37 0 78 0 END