HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Theaflavin 3,3'-O-digallate SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 -2.570 4.061 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.904 3.291 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.904 1.751 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.570 0.981 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.236 1.751 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.236 3.291 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 0.097 4.061 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 0.097 0.981 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 1.431 1.751 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 1.431 3.291 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 2.765 4.061 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 2.765 0.981 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 4.098 1.751 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 2.765 -0.559 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 4.098 -1.329 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 5.432 -0.559 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 5.432 0.981 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 6.766 1.751 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 6.766 -1.329 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 -5.237 0.981 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 -2.570 5.601 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 4.098 4.831 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 4.098 6.371 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 5.432 4.061 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 5.432 8.681 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 5.432 7.141 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 2.765 7.141 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 2.765 8.681 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 4.098 9.451 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 6.766 9.451 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 4.098 10.991 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 1.431 9.451 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 1.323 -1.329 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.981 -2.831 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 1.941 -4.035 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 3.481 -4.035 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 4.441 -2.831 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 5.942 -3.173 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 4.149 -5.422 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 -0.521 -3.173 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.854 -2.403 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 -3.188 -3.173 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.188 -4.713 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -1.854 -5.483 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -0.521 -4.713 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -4.522 -2.403 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.855 -3.173 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -5.855 -4.713 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -4.522 -5.483 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 -7.189 -2.403 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 -4.522 -7.023 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 0.813 -5.483 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 1.739 -6.299 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 3.073 -5.529 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 1.739 -7.839 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 3.073 -8.609 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 3.073 -10.149 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 4.407 -10.919 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 1.739 -10.919 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 1.739 -12.459 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 0.406 -10.149 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 -0.928 -10.919 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 0.406 -8.609 0.000 0.00 0.00 C+0 CONECT 1 2 6 21 CONECT 2 1 3 CONECT 3 2 4 20 CONECT 4 3 5 CONECT 5 4 6 8 CONECT 6 1 7 5 CONECT 7 6 10 CONECT 8 5 9 CONECT 9 8 10 12 CONECT 10 9 7 11 CONECT 11 10 22 CONECT 12 9 13 14 CONECT 13 12 17 CONECT 14 12 15 33 CONECT 15 16 37 14 CONECT 16 15 17 19 CONECT 17 16 13 18 CONECT 18 17 CONECT 19 16 CONECT 20 3 CONECT 21 1 CONECT 22 11 23 24 CONECT 23 22 26 27 CONECT 24 22 CONECT 25 26 29 30 CONECT 26 23 25 CONECT 27 23 28 CONECT 28 27 29 32 CONECT 29 28 25 31 CONECT 30 25 CONECT 31 29 CONECT 32 28 CONECT 33 14 34 CONECT 34 33 35 40 CONECT 35 34 36 CONECT 36 35 37 39 CONECT 37 15 36 38 CONECT 38 37 CONECT 39 36 CONECT 40 45 41 34 CONECT 41 40 42 CONECT 42 41 46 43 CONECT 43 44 42 49 CONECT 44 43 45 CONECT 45 40 44 52 CONECT 46 42 47 CONECT 47 46 48 50 CONECT 48 47 49 CONECT 49 43 48 51 CONECT 50 47 CONECT 51 49 CONECT 52 45 53 CONECT 53 55 54 52 CONECT 54 53 CONECT 55 53 63 56 CONECT 56 57 55 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 60 61 57 CONECT 60 59 CONECT 61 59 62 63 CONECT 62 61 CONECT 63 55 61 MASTER 0 0 0 0 0 0 0 0 63 0 140 0 END