HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 0.588 2.814 -1.063 0.00 0.00 C+0 HETATM 2 C UNK 0 0.106 2.297 0.237 0.00 0.00 C+0 HETATM 3 C UNK 0 0.814 1.387 0.873 0.00 0.00 C+0 HETATM 4 C UNK 0 2.068 0.840 0.380 0.00 0.00 C+0 HETATM 5 O UNK 0 2.703 -0.035 1.044 0.00 0.00 O+0 HETATM 6 O UNK 0 2.645 1.222 -0.815 0.00 0.00 O+0 HETATM 7 C UNK 0 3.843 0.681 -1.251 0.00 0.00 C+0 HETATM 8 C UNK 0 5.026 0.893 -0.373 0.00 0.00 C+0 HETATM 9 C UNK 0 6.220 0.211 -1.059 0.00 0.00 C+0 HETATM 10 C UNK 0 7.419 0.434 -0.161 0.00 0.00 C+0 HETATM 11 C UNK 0 8.603 -0.233 -0.826 0.00 0.00 C+0 HETATM 12 C UNK 0 9.867 -0.133 -0.087 0.00 0.00 C+0 HETATM 13 C UNK 0 10.038 -0.719 1.247 0.00 0.00 C+0 HETATM 14 C UNK 0 9.967 -2.170 1.455 0.00 0.00 C+0 HETATM 15 C UNK 0 8.792 -2.943 1.216 0.00 0.00 C+0 HETATM 16 O UNK 0 7.671 -2.546 0.926 0.00 0.00 O+0 HETATM 17 O UNK 0 8.917 -4.352 1.322 0.00 0.00 O+0 HETATM 18 C UNK 0 -1.174 2.836 0.775 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.317 2.561 -0.183 0.00 0.00 C+0 HETATM 20 O UNK 0 -3.509 3.068 0.325 0.00 0.00 O+0 HETATM 21 C UNK 0 -4.469 2.853 -0.684 0.00 0.00 C+0 HETATM 22 C UNK 0 -4.889 1.383 -0.667 0.00 0.00 C+0 HETATM 23 C UNK 0 -6.199 1.229 0.091 0.00 0.00 C+0 HETATM 24 C UNK 0 -6.626 -0.194 0.117 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.785 -0.558 -0.413 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.260 -1.967 -0.414 0.00 0.00 C+0 HETATM 27 C UNK 0 -7.204 -2.833 0.189 0.00 0.00 C+0 HETATM 28 C UNK 0 -9.569 -2.017 0.343 0.00 0.00 C+0 HETATM 29 C UNK 0 -10.158 -3.386 0.416 0.00 0.00 C+0 HETATM 30 O UNK 0 -10.427 -1.097 -0.285 0.00 0.00 O+0 HETATM 31 C UNK 0 -3.781 0.603 -0.013 0.00 0.00 C+0 HETATM 32 O UNK 0 -3.864 -0.755 -0.396 0.00 0.00 O+0 HETATM 33 C UNK 0 -2.454 1.094 -0.512 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.426 0.891 -1.909 0.00 0.00 O+0 HETATM 35 H UNK 0 -0.131 3.543 -1.501 0.00 0.00 H+0 HETATM 36 H UNK 0 0.654 1.957 -1.766 0.00 0.00 H+0 HETATM 37 H UNK 0 1.584 3.292 -0.885 0.00 0.00 H+0 HETATM 38 H UNK 0 0.400 1.050 1.825 0.00 0.00 H+0 HETATM 39 H UNK 0 4.113 0.983 -2.292 0.00 0.00 H+0 HETATM 40 H UNK 0 3.695 -0.437 -1.322 0.00 0.00 H+0 HETATM 41 H UNK 0 5.330 1.970 -0.302 0.00 0.00 H+0 HETATM 42 H UNK 0 4.938 0.413 0.602 0.00 0.00 H+0 HETATM 43 H UNK 0 6.328 0.714 -2.038 0.00 0.00 H+0 HETATM 44 H UNK 0 6.029 -0.872 -1.172 0.00 0.00 H+0 HETATM 45 H UNK 0 7.558 1.559 -0.156 0.00 0.00 H+0 HETATM 46 H UNK 0 7.171 0.073 0.834 0.00 0.00 H+0 HETATM 47 H UNK 0 8.312 -1.201 -1.237 0.00 0.00 H+0 HETATM 48 H UNK 0 8.756 0.415 -1.771 0.00 0.00 H+0 HETATM 49 H UNK 0 10.192 0.952 -0.079 0.00 0.00 H+0 HETATM 50 H UNK 0 10.665 -0.604 -0.750 0.00 0.00 H+0 HETATM 51 H UNK 0 9.420 -0.159 2.036 0.00 0.00 H+0 HETATM 52 H UNK 0 11.094 -0.415 1.582 0.00 0.00 H+0 HETATM 53 H UNK 0 10.850 -2.614 0.874 0.00 0.00 H+0 HETATM 54 H UNK 0 10.349 -2.334 2.538 0.00 0.00 H+0 HETATM 55 H UNK 0 9.756 -4.778 0.929 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.377 2.354 1.732 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.114 3.918 0.944 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.147 3.111 -1.150 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.999 3.026 -1.665 0.00 0.00 H+0 HETATM 60 H UNK 0 -5.339 3.521 -0.561 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.038 0.983 -1.687 0.00 0.00 H+0 HETATM 62 H UNK 0 -5.991 1.602 1.124 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.959 1.886 -0.351 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.977 -0.927 0.575 0.00 0.00 H+0 HETATM 65 H UNK 0 -8.381 0.248 -0.855 0.00 0.00 H+0 HETATM 66 H UNK 0 -8.394 -2.270 -1.467 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.963 -2.579 1.240 0.00 0.00 H+0 HETATM 68 H UNK 0 -6.275 -2.689 -0.400 0.00 0.00 H+0 HETATM 69 H UNK 0 -7.452 -3.920 0.075 0.00 0.00 H+0 HETATM 70 H UNK 0 -9.427 -1.647 1.369 0.00 0.00 H+0 HETATM 71 H UNK 0 -9.535 -4.177 -0.007 0.00 0.00 H+0 HETATM 72 H UNK 0 -10.486 -3.662 1.432 0.00 0.00 H+0 HETATM 73 H UNK 0 -11.101 -3.373 -0.204 0.00 0.00 H+0 HETATM 74 H UNK 0 -10.222 -0.168 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 -3.823 0.659 1.098 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.582 -1.305 0.387 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.607 0.518 -0.108 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.044 0.025 -2.144 0.00 0.00 H+0 CONECT 1 2 35 36 37 CONECT 2 1 3 18 CONECT 3 2 4 38 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 39 40 CONECT 8 7 9 41 42 CONECT 9 8 10 43 44 CONECT 10 9 11 45 46 CONECT 11 10 12 47 48 CONECT 12 11 13 49 50 CONECT 13 12 14 51 52 CONECT 14 13 15 53 54 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 55 CONECT 18 2 19 56 57 CONECT 19 18 20 33 58 CONECT 20 19 21 CONECT 21 20 22 59 60 CONECT 22 21 23 31 61 CONECT 23 22 24 62 63 CONECT 24 23 25 64 CONECT 25 24 26 65 CONECT 26 25 27 28 66 CONECT 27 26 67 68 69 CONECT 28 26 29 30 70 CONECT 29 28 71 72 73 CONECT 30 28 74 CONECT 31 22 32 33 75 CONECT 32 31 76 CONECT 33 31 34 19 77 CONECT 34 33 78 CONECT 35 1 CONECT 36 1 CONECT 37 1 CONECT 38 3 CONECT 39 7 CONECT 40 7 CONECT 41 8 CONECT 42 8 CONECT 43 9 CONECT 44 9 CONECT 45 10 CONECT 46 10 CONECT 47 11 CONECT 48 11 CONECT 49 12 CONECT 50 12 CONECT 51 13 CONECT 52 13 CONECT 53 14 CONECT 54 14 CONECT 55 17 CONECT 56 18 CONECT 57 18 CONECT 58 19 CONECT 59 21 CONECT 60 21 CONECT 61 22 CONECT 62 23 CONECT 63 23 CONECT 64 24 CONECT 65 25 CONECT 66 26 CONECT 67 27 CONECT 68 27 CONECT 69 27 CONECT 70 28 CONECT 71 29 CONECT 72 29 CONECT 73 29 CONECT 74 30 CONECT 75 31 CONECT 76 32 CONECT 77 33 CONECT 78 34 MASTER 0 0 0 0 0 0 0 0 78 0 156 0 END