HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -2.922 -2.263 1.799 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.836 -2.092 1.022 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.912 -1.280 -0.271 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.093 0.038 -0.128 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.523 1.030 1.007 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.735 1.834 0.543 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.101 1.302 0.882 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.589 3.020 -0.073 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.273 3.683 -0.340 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.040 2.959 0.238 0.00 0.00 C+0 HETATM 11 C UNK 0 0.981 4.010 0.637 0.00 0.00 C+0 HETATM 12 O UNK 0 1.896 4.308 -0.127 0.00 0.00 O+0 HETATM 13 C UNK 0 0.788 4.703 1.958 0.00 0.00 C+0 HETATM 14 O UNK 0 1.444 5.870 2.318 0.00 0.00 O+0 HETATM 15 C UNK 0 1.940 6.685 1.262 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.068 4.173 2.838 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.780 2.892 2.618 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.605 2.542 3.460 0.00 0.00 O+0 HETATM 19 C UNK 0 -0.354 2.011 1.424 0.00 0.00 C+0 HETATM 20 C UNK 0 0.877 1.197 1.901 0.00 0.00 C+0 HETATM 21 C UNK 0 1.046 0.728 3.152 0.00 0.00 C+0 HETATM 22 C UNK 0 2.213 -0.115 3.467 0.00 0.00 C+0 HETATM 23 O UNK 0 2.469 -0.471 4.611 0.00 0.00 O+0 HETATM 24 C UNK 0 3.018 -0.572 2.331 0.00 0.00 C+0 HETATM 25 C UNK 0 3.984 -1.573 2.465 0.00 0.00 C+0 HETATM 26 O UNK 0 4.293 -2.150 3.667 0.00 0.00 O+0 HETATM 27 C UNK 0 4.650 -2.050 1.340 0.00 0.00 C+0 HETATM 28 C UNK 0 4.336 -1.527 0.089 0.00 0.00 C+0 HETATM 29 O UNK 0 4.943 -2.070 -1.006 0.00 0.00 O+0 HETATM 30 C UNK 0 3.404 -0.503 -0.051 0.00 0.00 C+0 HETATM 31 C UNK 0 2.741 -0.031 1.079 0.00 0.00 C+0 HETATM 32 O UNK 0 1.801 0.948 0.888 0.00 0.00 O+0 HETATM 33 C UNK 0 -1.464 -2.206 -1.487 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.515 -3.348 -1.620 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.509 -1.423 -2.839 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.244 -1.555 -3.682 0.00 0.00 C+0 HETATM 37 C UNK 0 0.201 -3.010 -3.765 0.00 0.00 C+0 HETATM 38 C UNK 0 0.629 -3.575 -2.390 0.00 0.00 C+0 HETATM 39 C UNK 0 0.378 -5.095 -2.380 0.00 0.00 C+0 HETATM 40 C UNK 0 2.152 -3.405 -2.253 0.00 0.00 C+0 HETATM 41 O UNK 0 2.785 -2.428 -2.650 0.00 0.00 O+0 HETATM 42 C UNK 0 -0.026 -2.786 -1.203 0.00 0.00 C+0 HETATM 43 C UNK 0 0.036 -3.539 0.147 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.482 -2.702 1.321 0.00 0.00 C+0 HETATM 45 O UNK 0 -0.538 -3.527 2.479 0.00 0.00 O+0 HETATM 46 H UNK 0 -3.883 -1.828 1.548 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.877 -2.851 2.712 0.00 0.00 H+0 HETATM 48 H UNK 0 -2.951 -0.997 -0.468 0.00 0.00 H+0 HETATM 49 H UNK 0 -0.052 -0.243 0.011 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.106 0.590 -1.072 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.802 0.464 1.904 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.149 1.018 1.938 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.882 2.051 0.714 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.351 0.432 0.272 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.472 3.579 -0.382 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.341 4.709 0.046 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.148 3.787 -1.425 0.00 0.00 H+0 HETATM 58 H UNK 0 0.411 2.378 -0.578 0.00 0.00 H+0 HETATM 59 H UNK 0 1.200 6.812 0.465 0.00 0.00 H+0 HETATM 60 H UNK 0 2.152 7.675 1.679 0.00 0.00 H+0 HETATM 61 H UNK 0 2.882 6.285 0.876 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.257 4.654 3.792 0.00 0.00 H+0 HETATM 63 H UNK 0 0.350 0.889 3.967 0.00 0.00 H+0 HETATM 64 H UNK 0 3.786 -1.687 4.372 0.00 0.00 H+0 HETATM 65 H UNK 0 5.389 -2.840 1.434 0.00 0.00 H+0 HETATM 66 H UNK 0 4.378 -1.896 -1.791 0.00 0.00 H+0 HETATM 67 H UNK 0 3.176 -0.089 -1.029 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.528 -2.933 -1.689 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.511 -4.040 -0.774 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.360 -3.939 -2.527 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.728 -0.362 -2.705 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.350 -1.782 -3.449 0.00 0.00 H+0 HETATM 73 H UNK 0 0.554 -0.929 -3.266 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.444 -1.175 -4.691 0.00 0.00 H+0 HETATM 75 H UNK 0 1.018 -3.095 -4.493 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.628 -3.599 -4.178 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.686 -5.340 -2.417 0.00 0.00 H+0 HETATM 78 H UNK 0 0.801 -5.579 -1.493 0.00 0.00 H+0 HETATM 79 H UNK 0 0.853 -5.571 -3.247 0.00 0.00 H+0 HETATM 80 H UNK 0 2.675 -4.195 -1.685 0.00 0.00 H+0 HETATM 81 H UNK 0 0.621 -1.909 -1.060 0.00 0.00 H+0 HETATM 82 H UNK 0 1.071 -3.834 0.364 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.525 -4.480 0.101 0.00 0.00 H+0 HETATM 84 H UNK 0 0.225 -1.897 1.541 0.00 0.00 H+0 HETATM 85 H UNK 0 0.372 -3.781 2.703 0.00 0.00 H+0 CONECT 1 2 46 47 CONECT 2 1 44 3 CONECT 3 4 33 2 48 CONECT 4 3 5 49 50 CONECT 5 6 19 4 51 CONECT 6 5 8 7 CONECT 7 6 52 53 54 CONECT 8 6 9 55 CONECT 9 8 10 56 57 CONECT 10 19 11 58 9 CONECT 11 10 13 12 CONECT 12 11 CONECT 13 11 16 14 CONECT 14 13 15 CONECT 15 14 59 60 61 CONECT 16 17 13 62 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 10 20 5 17 CONECT 20 19 21 32 CONECT 21 22 20 63 CONECT 22 24 21 23 CONECT 23 22 CONECT 24 25 31 22 CONECT 25 24 27 26 CONECT 26 25 64 CONECT 27 25 28 65 CONECT 28 27 30 29 CONECT 29 28 66 CONECT 30 28 31 67 CONECT 31 30 24 32 CONECT 32 31 20 CONECT 33 42 35 34 3 CONECT 34 33 68 69 70 CONECT 35 36 33 71 72 CONECT 36 37 35 73 74 CONECT 37 36 38 75 76 CONECT 38 39 37 40 42 CONECT 39 38 77 78 79 CONECT 40 38 41 80 CONECT 41 40 CONECT 42 33 81 38 43 CONECT 43 42 44 82 83 CONECT 44 45 43 2 84 CONECT 45 44 85 CONECT 46 1 CONECT 47 1 CONECT 48 3 CONECT 49 4 CONECT 50 4 CONECT 51 5 CONECT 52 7 CONECT 53 7 CONECT 54 7 CONECT 55 8 CONECT 56 9 CONECT 57 9 CONECT 58 10 CONECT 59 15 CONECT 60 15 CONECT 61 15 CONECT 62 16 CONECT 63 21 CONECT 64 26 CONECT 65 27 CONECT 66 29 CONECT 67 30 CONECT 68 34 CONECT 69 34 CONECT 70 34 CONECT 71 35 CONECT 72 35 CONECT 73 36 CONECT 74 36 CONECT 75 37 CONECT 76 37 CONECT 77 39 CONECT 78 39 CONECT 79 39 CONECT 80 40 CONECT 81 42 CONECT 82 43 CONECT 83 43 CONECT 84 44 CONECT 85 45 MASTER 0 0 0 0 0 0 0 0 85 0 180 0 END