HEADER PROTEIN 17-SEP-21 NONE TITLE NULL COMPND MOLECULE: CDP-DG(i-21:0/18:1(12Z)-2OH(9,10)) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-SEP-21 0 HETATM 1 O UNK 0 -7.097 0.673 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 -5.781 1.440 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.447 0.670 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.113 1.440 0.000 0.00 0.00 C+0 HETATM 5 H UNK 0 -3.677 -0.663 0.000 0.00 0.00 H+0 HETATM 6 O UNK 0 -5.217 -0.663 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 9.112 -2.009 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 5.770 -1.994 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 4.894 1.462 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 3.559 0.694 0.000 0.00 0.00 O+0 HETATM 11 P UNK 0 2.225 1.462 0.000 0.00 0.00 P+0 HETATM 12 O UNK 0 0.890 0.694 0.000 0.00 0.00 O+0 HETATM 13 P UNK 0 -0.456 1.444 0.000 0.00 0.00 P+0 HETATM 14 O UNK 0 -1.790 0.671 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 0.290 2.790 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 -1.251 2.763 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 2.997 2.801 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 1.456 2.801 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 11.394 -0.846 0.000 0.00 0.00 O+0 HETATM 20 N UNK 0 14.067 3.776 0.000 0.00 0.00 N+0 HETATM 21 C UNK 0 11.394 0.692 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 12.729 1.463 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 12.729 3.005 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 11.394 3.776 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 10.059 3.005 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 10.059 1.463 0.000 0.00 0.00 N+0 HETATM 27 O UNK 0 7.473 1.619 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 8.720 0.712 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 8.244 -0.754 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 6.702 -0.754 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 6.225 0.712 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -8.423 1.436 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -8.423 2.876 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -9.756 0.665 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -11.089 1.436 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -12.422 0.665 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -13.755 1.436 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -15.088 0.665 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -16.421 1.436 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -17.754 0.665 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -19.087 1.436 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -20.420 0.665 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -21.753 1.436 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -23.086 0.665 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -24.419 1.436 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -25.752 0.665 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -27.085 1.436 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -28.418 0.665 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -29.751 1.436 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -31.084 0.665 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -32.417 1.436 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -33.750 0.665 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -33.750 2.205 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -6.551 -1.383 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 -6.551 -2.823 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 -7.884 -0.612 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -9.217 -1.383 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -10.550 -0.612 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -11.883 -1.383 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -13.216 -0.612 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -14.549 -1.383 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -15.882 -0.612 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -17.215 -1.383 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 -17.215 -2.823 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 -18.548 -0.612 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 -18.548 0.828 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 -19.881 -1.383 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -21.214 -0.612 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -22.754 -0.612 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -24.087 -1.383 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -25.420 -0.612 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -26.753 -1.383 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -28.086 -0.612 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -29.419 -1.383 0.000 0.00 0.00 C+0 CONECT 1 32 2 CONECT 2 1 3 CONECT 3 2 5 6 4 CONECT 4 3 14 CONECT 5 3 CONECT 6 3 54 CONECT 7 29 CONECT 8 30 CONECT 9 10 31 CONECT 10 9 11 CONECT 11 10 12 17 18 CONECT 12 11 13 CONECT 13 12 14 15 16 CONECT 14 13 4 CONECT 15 13 CONECT 16 13 CONECT 17 11 CONECT 18 11 CONECT 19 21 CONECT 20 23 CONECT 21 22 19 26 CONECT 22 21 23 CONECT 23 22 24 20 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 21 28 CONECT 27 28 31 CONECT 28 27 29 26 CONECT 29 28 30 7 CONECT 30 29 31 8 CONECT 31 27 30 9 CONECT 32 1 33 34 CONECT 33 32 CONECT 34 32 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 40 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 CONECT 48 47 49 CONECT 49 48 50 CONECT 50 49 51 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 CONECT 54 6 55 56 CONECT 55 54 CONECT 56 54 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 63 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 67 CONECT 66 65 CONECT 67 65 68 CONECT 68 67 69 CONECT 69 68 70 CONECT 70 69 71 CONECT 71 70 72 CONECT 72 71 73 CONECT 73 72 74 CONECT 74 73 MASTER 0 0 0 0 0 0 0 0 74 0 150 0 END