HEADER PROTEIN 23-JUN-16 NONE TITLE NULL COMPND MOLECULE: PGP(14:1(9Z)/22:1(9Z)) SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-JUN-16 0 HETATM 1 H UNK 0 5.199 1.798 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 -4.446 0.673 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.772 1.437 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -7.097 0.673 0.000 0.00 0.00 O+0 HETATM 5 H UNK 0 -3.680 -0.652 0.000 0.00 0.00 H+0 HETATM 6 O UNK 0 -5.213 -0.652 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.120 1.439 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.794 0.673 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 1.487 0.642 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 2.813 -0.124 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 4.139 0.642 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 5.465 -0.124 0.000 0.00 0.00 C+0 HETATM 13 P UNK 0 0.092 1.210 0.000 0.00 0.00 P+0 HETATM 14 O UNK 0 -0.583 0.039 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 0.092 2.605 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 3.511 1.729 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 6.791 0.641 0.000 0.00 0.00 O+0 HETATM 18 P UNK 0 8.270 1.037 0.000 0.00 0.00 P+0 HETATM 19 O UNK 0 8.270 2.568 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 9.748 0.641 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 7.504 -0.289 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -8.423 1.437 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -8.423 2.877 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -9.756 0.665 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -11.089 1.437 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -12.422 0.665 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -13.755 1.437 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -15.088 0.665 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -16.421 1.437 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -17.754 0.665 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -19.087 1.437 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -20.627 1.437 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -21.960 0.665 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -23.293 1.437 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -24.627 0.665 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -25.960 1.437 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -6.601 -1.436 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 -6.601 -2.876 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -7.934 -0.665 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -9.267 -1.436 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -10.600 -0.665 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -11.933 -1.436 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -13.266 -0.665 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -14.599 -1.436 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -15.932 -0.665 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -17.265 -1.436 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -18.805 -1.436 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -20.138 -0.665 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -21.472 -1.436 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -22.805 -0.665 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -24.138 -1.436 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -25.471 -0.665 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -26.804 -1.436 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -28.137 -0.665 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -29.470 -1.436 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -30.803 -0.665 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -32.136 -1.436 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -33.469 -0.665 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -34.802 -1.436 0.000 0.00 0.00 C+0 CONECT 1 11 CONECT 2 3 6 5 7 CONECT 3 2 4 CONECT 4 3 22 CONECT 5 2 CONECT 6 2 37 CONECT 7 2 8 CONECT 8 7 13 CONECT 9 10 13 CONECT 10 9 11 CONECT 11 10 16 1 12 CONECT 12 11 17 CONECT 13 9 14 15 8 CONECT 14 13 CONECT 15 13 CONECT 16 11 CONECT 17 12 18 CONECT 18 17 19 20 21 CONECT 19 18 CONECT 20 18 CONECT 21 18 CONECT 22 4 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 CONECT 37 6 38 39 CONECT 38 37 CONECT 39 37 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 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 MASTER 0 0 0 0 0 0 0 0 59 0 116 0 END