HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Theaflavin 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 -8.454 5.041 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -8.454 6.581 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -9.787 4.271 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -9.787 2.731 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -11.121 1.961 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -8.454 1.961 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.556 -1.872 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.084 -2.326 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 -2.603 -3.001 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -2.041 -4.435 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.139 -2.886 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -10.407 -1.362 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -11.740 -2.132 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -11.740 -3.672 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -10.407 -4.442 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -9.073 -3.672 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -9.073 -2.132 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -7.739 -1.362 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 -7.739 -4.442 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -6.406 -3.672 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 -13.074 -1.362 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 -10.407 -5.982 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 -4.797 -4.497 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -3.119 5.041 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -6.406 -2.132 0.000 0.00 0.00 C+0 CONECT 1 2 27 41 CONECT 2 1 3 CONECT 3 2 4 10 CONECT 4 3 5 23 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 22 CONECT 14 13 15 17 CONECT 15 14 16 CONECT 16 15 11 40 CONECT 17 14 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 13 CONECT 23 4 24 25 CONECT 24 23 CONECT 25 23 26 27 CONECT 26 25 CONECT 27 25 1 CONECT 28 33 29 CONECT 29 37 30 28 CONECT 30 29 31 CONECT 31 38 32 30 CONECT 32 35 31 33 CONECT 33 34 28 32 CONECT 34 33 41 CONECT 35 36 32 CONECT 36 35 41 39 CONECT 37 29 CONECT 38 31 CONECT 39 36 CONECT 40 16 CONECT 41 36 34 1 MASTER 0 0 0 0 0 0 0 0 41 0 92 0 END