HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Theaflavin 3-O-gallate SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 -5.007 -1.614 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.553 -0.142 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.119 0.421 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.785 -0.349 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.452 0.421 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 0.882 -0.349 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 -0.452 1.961 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 0.882 2.731 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -1.785 2.731 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.119 1.961 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.453 2.731 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 -5.786 1.961 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 -7.120 2.731 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -7.120 4.271 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.786 5.041 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.453 4.271 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.379 -5.739 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -3.046 -4.969 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -4.379 -7.279 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.046 -8.049 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.046 -9.589 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -1.712 -10.359 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -4.379 -10.359 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 -4.379 -11.899 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 -5.713 -9.589 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -7.047 -10.359 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -5.713 -8.049 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.454 5.041 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 -8.454 6.581 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 -9.787 4.271 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -9.787 2.731 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -11.121 1.961 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -8.454 1.961 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.556 -1.872 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -0.084 -2.326 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -2.603 -3.001 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 -2.041 -4.435 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 -4.139 -2.886 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -10.916 -1.788 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -12.249 -2.558 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -12.249 -4.098 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -10.916 -4.868 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -9.582 -4.098 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -9.582 -2.558 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 -8.248 -1.788 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 -8.248 -4.868 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -6.915 -4.098 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -13.583 -1.788 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 -10.916 -6.408 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 -5.306 -4.923 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 -6.915 -2.558 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -3.119 5.041 0.000 0.00 0.00 O+0 CONECT 1 2 38 51 CONECT 2 1 3 CONECT 3 2 4 10 CONECT 4 3 5 34 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 7 10 CONECT 10 9 3 11 CONECT 11 10 12 16 CONECT 12 11 13 CONECT 13 12 14 33 CONECT 14 13 15 28 CONECT 15 14 16 CONECT 16 15 11 52 CONECT 17 19 18 50 CONECT 18 17 CONECT 19 17 27 20 CONECT 20 21 19 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 24 25 21 CONECT 24 23 CONECT 25 23 26 27 CONECT 26 25 CONECT 27 19 25 CONECT 28 14 29 30 CONECT 29 28 CONECT 30 28 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 13 CONECT 34 4 35 36 CONECT 35 34 CONECT 36 34 37 38 CONECT 37 36 CONECT 38 36 1 CONECT 39 40 44 CONECT 40 39 48 41 CONECT 41 42 40 CONECT 42 41 49 43 CONECT 43 44 46 42 CONECT 44 43 45 39 CONECT 45 44 51 CONECT 46 47 43 CONECT 47 46 51 50 CONECT 48 40 CONECT 49 42 CONECT 50 47 17 CONECT 51 1 47 45 CONECT 52 16 MASTER 0 0 0 0 0 0 0 0 52 0 116 0 END