HEADER PROTEIN 07-JAN-16 NONE TITLE NULL COMPND MOLECULE: Procyanidin dimer B1 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JAN-16 0 HETATM 1 C UNK 0 2.167 -4.598 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 3.500 -5.368 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 0.833 -5.368 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.501 -4.598 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.834 -5.368 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 -1.834 -6.908 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.168 -4.598 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.168 -3.058 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -4.502 -2.288 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 -1.834 -2.288 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.501 -3.058 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 0.833 -2.288 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 2.167 -3.058 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 3.500 -2.288 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 3.500 -0.748 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 4.834 0.022 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.168 -0.748 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 7.502 0.022 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 6.168 -2.288 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 7.502 -3.058 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 4.834 -3.058 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.834 0.119 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -3.168 0.889 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.502 0.119 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.835 0.889 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.835 2.429 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -7.169 3.199 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -4.502 3.199 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.168 2.429 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -1.834 3.199 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -0.501 2.429 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 0.833 3.199 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 0.833 4.739 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 2.167 5.509 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 3.500 4.739 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 4.834 5.509 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 3.500 3.199 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 4.834 2.429 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 2.167 2.429 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.501 0.889 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 0.833 0.119 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 -4.502 -1.421 0.000 0.00 0.00 O+0 CONECT 1 2 3 13 CONECT 2 1 CONECT 3 1 4 CONECT 4 3 5 11 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 22 CONECT 11 10 4 12 CONECT 12 11 13 CONECT 13 12 1 14 CONECT 14 13 15 21 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 21 CONECT 20 19 CONECT 21 19 14 CONECT 22 10 23 40 CONECT 23 22 24 29 CONECT 24 23 25 42 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 CONECT 29 28 23 30 CONECT 30 29 31 CONECT 31 30 32 40 CONECT 32 31 33 39 CONECT 33 32 34 CONECT 34 33 35 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 39 CONECT 38 37 CONECT 39 37 32 CONECT 40 31 22 41 CONECT 41 40 CONECT 42 24 MASTER 0 0 0 0 0 0 0 0 42 0 94 0 END