HEADER PROTEIN 23-SEP-17 NONE TITLE NULL COMPND MOLECULE: Cyanidin 3-0-(6"-malonyl-3"-glucosyl-glucoside) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-SEP-17 0 HETATM 1 H UNK 0 1.334 10.010 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 1.334 8.470 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 0.000 9.240 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 0.000 10.780 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 1.334 6.930 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 2.667 6.160 0.000 0.00 0.00 C+0 HETATM 7 H UNK 0 4.001 5.390 0.000 0.00 0.00 H+0 HETATM 8 O UNK 0 2.667 4.620 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 1.334 3.850 0.000 0.00 0.00 C+0 HETATM 10 H UNK 0 2.667 3.080 0.000 0.00 0.00 H+0 HETATM 11 C UNK 0 0.000 4.620 0.000 0.00 0.00 C+0 HETATM 12 H UNK 0 1.334 5.390 0.000 0.00 0.00 H+0 HETATM 13 O UNK 0 0.000 6.160 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 -1.334 3.850 0.000 0.00 0.00 C+0 HETATM 15 H UNK 0 -2.667 3.080 0.000 0.00 0.00 H+0 HETATM 16 C UNK 0 -2.667 4.620 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -4.001 3.850 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -5.335 4.620 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 -5.335 6.160 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 -6.668 3.850 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -8.002 4.620 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -8.002 6.160 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 -9.336 3.850 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 -1.334 2.310 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 26 H UNK 0 1.334 0.770 0.000 0.00 0.00 H+0 HETATM 27 O UNK 0 0.000 0.000 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 5.335 1.540 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 8.002 -3.080 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 2.667 -3.080 0.000 0.00 0.00 O+1 HETATM 39 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 0.000 -3.080 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 -4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 -4.001 -2.310 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 49 H UNK 0 0.000 3.080 0.000 0.00 0.00 H+0 HETATM 50 O UNK 0 2.667 1.540 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 4.001 6.930 0.000 0.00 0.00 C+0 HETATM 52 H UNK 0 5.335 7.700 0.000 0.00 0.00 H+0 HETATM 53 O UNK 0 5.335 6.160 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 4.001 8.470 0.000 0.00 0.00 C+0 HETATM 55 H UNK 0 4.001 10.010 0.000 0.00 0.00 H+0 HETATM 56 O UNK 0 5.335 9.240 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 2.667 9.240 0.000 0.00 0.00 C+0 HETATM 58 H UNK 0 2.667 7.700 0.000 0.00 0.00 H+0 HETATM 59 O UNK 0 2.667 10.780 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 5 57 CONECT 3 2 4 CONECT 4 3 CONECT 5 2 6 CONECT 6 5 7 8 51 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 11 48 CONECT 10 9 CONECT 11 9 12 13 14 CONECT 12 11 CONECT 13 11 CONECT 14 11 15 16 24 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 CONECT 24 14 25 CONECT 25 24 26 27 48 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 29 39 CONECT 29 28 30 CONECT 30 29 31 37 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 CONECT 37 36 30 38 CONECT 38 37 39 CONECT 39 38 28 40 CONECT 40 39 41 47 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 47 CONECT 46 45 CONECT 47 45 40 CONECT 48 25 9 49 50 CONECT 49 48 CONECT 50 48 CONECT 51 6 52 53 54 CONECT 52 51 CONECT 53 51 CONECT 54 51 55 56 57 CONECT 55 54 CONECT 56 54 CONECT 57 54 2 58 59 CONECT 58 57 CONECT 59 57 MASTER 0 0 0 0 0 0 0 0 59 0 126 0 END