HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Alphitolic acid (3-O-trans-p-coumaroyl-) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 2.009 -2.828 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 3.344 -3.598 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 4.676 -2.828 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 4.676 -1.288 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.009 0.252 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 2.009 -1.288 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 0.678 -0.518 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.657 -1.288 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -1.991 -0.518 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 7.109 5.908 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 6.634 4.442 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 5.128 4.122 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 3.344 -0.518 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 3.344 1.021 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 4.676 1.791 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 6.011 1.021 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 7.345 1.791 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 7.663 3.298 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 9.196 3.459 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 9.822 2.053 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 8.677 1.021 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 10.084 0.395 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 11.331 1.301 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 8.677 -0.518 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 7.345 -1.288 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 6.011 -0.518 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 6.011 -2.058 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.313 -4.776 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 0.678 -3.598 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 1.666 -4.776 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.657 -2.828 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -1.991 -3.598 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 5.764 -2.376 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 10.245 -1.137 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 -3.326 -4.368 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.658 -3.598 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 -3.326 -5.908 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 -5.993 -4.368 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -7.327 -3.598 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -7.327 -2.058 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -8.662 -1.288 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -9.997 -2.058 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -9.997 -3.598 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -8.662 -4.368 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 -11.331 -1.288 0.000 0.00 0.00 O+0 CONECT 1 2 6 29 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 13 26 33 CONECT 5 6 CONECT 6 1 5 7 13 CONECT 7 6 8 CONECT 8 7 9 31 CONECT 9 8 CONECT 10 11 CONECT 11 10 12 18 CONECT 12 11 CONECT 13 4 6 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 26 CONECT 17 16 18 21 CONECT 18 11 17 19 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 17 20 22 24 CONECT 22 21 23 34 CONECT 23 22 CONECT 24 21 25 CONECT 25 24 26 CONECT 26 4 16 25 27 CONECT 27 26 CONECT 28 29 CONECT 29 1 28 30 31 CONECT 30 29 CONECT 31 8 29 32 CONECT 32 31 35 CONECT 33 4 CONECT 34 22 CONECT 35 32 36 37 CONECT 36 35 38 CONECT 37 35 CONECT 38 36 39 CONECT 39 38 40 44 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 45 CONECT 43 42 44 CONECT 44 39 43 CONECT 45 42 MASTER 0 0 0 0 0 0 0 0 45 0 100 0 END