HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -0.233 5.089 -0.934 0.00 0.00 C+0 HETATM 2 C UNK 0 0.136 3.890 -1.776 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.847 3.576 -2.862 0.00 0.00 C+0 HETATM 4 C UNK 0 0.619 2.715 -0.964 0.00 0.00 C+0 HETATM 5 N UNK 0 0.929 1.627 -1.842 0.00 0.00 N+0 HETATM 6 C UNK 0 2.122 0.900 -2.009 0.00 0.00 C+0 HETATM 7 O UNK 0 2.387 0.710 -3.276 0.00 0.00 O+0 HETATM 8 C UNK 0 3.072 0.345 -1.099 0.00 0.00 C+0 HETATM 9 C UNK 0 3.852 1.427 -0.323 0.00 0.00 C+0 HETATM 10 C UNK 0 4.801 0.420 0.349 0.00 0.00 C+0 HETATM 11 O UNK 0 5.667 -0.175 -0.523 0.00 0.00 O+0 HETATM 12 C UNK 0 5.427 1.077 1.515 0.00 0.00 C+0 HETATM 13 C UNK 0 6.626 1.706 1.661 0.00 0.00 C+0 HETATM 14 C UNK 0 6.968 2.241 2.883 0.00 0.00 C+0 HETATM 15 C UNK 0 6.087 2.133 3.950 0.00 0.00 C+0 HETATM 16 Cl UNK 0 6.589 2.834 5.464 0.00 0.00 Cl+0 HETATM 17 C UNK 0 4.879 1.491 3.772 0.00 0.00 C+0 HETATM 18 C UNK 0 4.497 0.936 2.552 0.00 0.00 C+0 HETATM 19 N UNK 0 3.356 0.236 2.087 0.00 0.00 N+0 HETATM 20 C UNK 0 3.753 -0.495 0.935 0.00 0.00 C+0 HETATM 21 N UNK 0 2.688 -0.612 -0.094 0.00 0.00 N+0 HETATM 22 C UNK 0 1.556 -1.458 -0.065 0.00 0.00 C+0 HETATM 23 O UNK 0 0.686 -1.137 0.835 0.00 0.00 O+0 HETATM 24 C UNK 0 1.180 -2.638 -0.858 0.00 0.00 C+0 HETATM 25 C UNK 0 2.178 -2.964 -1.957 0.00 0.00 C+0 HETATM 26 C UNK 0 1.727 -2.756 -3.342 0.00 0.00 C+0 HETATM 27 C UNK 0 0.297 -2.535 -3.615 0.00 0.00 C+0 HETATM 28 N UNK 0 -0.360 -1.903 -2.519 0.00 0.00 N+0 HETATM 29 N UNK 0 -0.166 -2.707 -1.341 0.00 0.00 N+0 HETATM 30 C UNK 0 -1.292 -3.422 -0.953 0.00 0.00 C+0 HETATM 31 O UNK 0 -1.955 -3.992 -1.959 0.00 0.00 O+0 HETATM 32 C UNK 0 -1.965 -3.729 0.301 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.776 -5.243 0.642 0.00 0.00 C+0 HETATM 34 N UNK 0 -1.675 -2.986 1.480 0.00 0.00 N+0 HETATM 35 C UNK 0 -0.679 -3.575 2.379 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.236 -1.759 1.911 0.00 0.00 C+0 HETATM 37 O UNK 0 -1.635 -1.103 2.852 0.00 0.00 O+0 HETATM 38 C UNK 0 -3.454 -1.085 1.430 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.644 -1.941 1.788 0.00 0.00 C+0 HETATM 40 C UNK 0 -5.548 -2.346 0.693 0.00 0.00 C+0 HETATM 41 C UNK 0 -5.508 -1.444 -0.486 0.00 0.00 C+0 HETATM 42 N UNK 0 -4.103 -1.350 -0.894 0.00 0.00 N+0 HETATM 43 N UNK 0 -3.410 -0.622 0.090 0.00 0.00 N+0 HETATM 44 C UNK 0 -2.699 0.562 -0.277 0.00 0.00 C+0 HETATM 45 O UNK 0 -2.031 0.445 -1.335 0.00 0.00 O+0 HETATM 46 C UNK 0 -2.684 1.828 0.433 0.00 0.00 C+0 HETATM 47 C UNK 0 -3.578 2.882 -0.243 0.00 0.00 C+0 HETATM 48 C UNK 0 -3.825 3.929 0.816 0.00 0.00 C+0 HETATM 49 C UNK 0 -2.747 4.090 1.789 0.00 0.00 C+0 HETATM 50 N UNK 0 -1.638 3.449 1.777 0.00 0.00 N+0 HETATM 51 N UNK 0 -1.441 2.483 0.706 0.00 0.00 N+0 HETATM 52 C UNK 0 -0.142 2.386 0.241 0.00 0.00 C+0 HETATM 53 O UNK 0 0.661 1.842 1.148 0.00 0.00 O+0 HETATM 54 H UNK 0 -1.302 5.071 -0.668 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.057 6.026 -1.503 0.00 0.00 H+0 HETATM 56 H UNK 0 0.437 5.111 -0.058 0.00 0.00 H+0 HETATM 57 H UNK 0 1.048 4.260 -2.359 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.449 2.665 -2.703 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.404 3.551 -3.885 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.616 4.411 -2.843 0.00 0.00 H+0 HETATM 61 H UNK 0 1.649 3.136 -0.588 0.00 0.00 H+0 HETATM 62 H UNK 0 0.093 1.380 -2.475 0.00 0.00 H+0 HETATM 63 H UNK 0 3.916 -0.165 -1.650 0.00 0.00 H+0 HETATM 64 H UNK 0 3.296 1.849 0.507 0.00 0.00 H+0 HETATM 65 H UNK 0 4.360 2.109 -0.998 0.00 0.00 H+0 HETATM 66 H UNK 0 5.489 -1.143 -0.687 0.00 0.00 H+0 HETATM 67 H UNK 0 7.340 1.807 0.843 0.00 0.00 H+0 HETATM 68 H UNK 0 7.934 2.743 2.986 0.00 0.00 H+0 HETATM 69 H UNK 0 4.205 1.416 4.612 0.00 0.00 H+0 HETATM 70 H UNK 0 2.425 0.269 2.526 0.00 0.00 H+0 HETATM 71 H UNK 0 4.271 -1.405 1.194 0.00 0.00 H+0 HETATM 72 H UNK 0 1.355 -3.508 -0.122 0.00 0.00 H+0 HETATM 73 H UNK 0 3.091 -2.371 -1.717 0.00 0.00 H+0 HETATM 74 H UNK 0 2.550 -4.032 -1.868 0.00 0.00 H+0 HETATM 75 H UNK 0 2.318 -1.930 -3.852 0.00 0.00 H+0 HETATM 76 H UNK 0 2.036 -3.656 -3.973 0.00 0.00 H+0 HETATM 77 H UNK 0 0.192 -1.840 -4.492 0.00 0.00 H+0 HETATM 78 H UNK 0 -0.196 -3.473 -3.948 0.00 0.00 H+0 HETATM 79 H UNK 0 0.064 -0.992 -2.335 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.104 -3.744 0.117 0.00 0.00 H+0 HETATM 81 H UNK 0 -0.723 -5.501 0.709 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.252 -5.832 -0.184 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.375 -5.402 1.541 0.00 0.00 H+0 HETATM 84 H UNK 0 0.143 -4.066 1.865 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.233 -4.365 2.956 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.232 -2.816 3.055 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.578 -0.170 2.111 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.271 -2.855 2.330 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.266 -1.428 2.582 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.617 -2.304 1.083 0.00 0.00 H+0 HETATM 91 H UNK 0 -5.437 -3.416 0.388 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.930 -0.468 -0.220 0.00 0.00 H+0 HETATM 93 H UNK 0 -6.051 -1.871 -1.351 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.994 -1.000 -1.847 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.264 1.703 1.436 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.150 3.284 -1.157 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.508 2.338 -0.518 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.972 4.898 0.289 0.00 0.00 H+0 HETATM 99 H UNK 0 -4.759 3.618 1.348 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.937 4.833 2.590 0.00 0.00 H+0 CONECT 1 2 54 55 56 CONECT 2 1 3 4 57 CONECT 3 2 58 59 60 CONECT 4 2 5 52 61 CONECT 5 4 6 62 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 21 63 CONECT 9 8 10 64 65 CONECT 10 9 11 12 20 CONECT 11 10 66 CONECT 12 10 13 18 CONECT 13 12 14 67 CONECT 14 13 15 68 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 69 CONECT 18 17 19 12 CONECT 19 18 20 70 CONECT 20 19 21 10 71 CONECT 21 20 22 8 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 29 72 CONECT 25 24 26 73 74 CONECT 26 25 27 75 76 CONECT 27 26 28 77 78 CONECT 28 27 29 79 CONECT 29 28 30 24 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 34 80 CONECT 33 32 81 82 83 CONECT 34 32 35 36 CONECT 35 34 84 85 86 CONECT 36 34 37 38 CONECT 37 36 CONECT 38 36 39 43 87 CONECT 39 38 40 88 89 CONECT 40 39 41 90 91 CONECT 41 40 42 92 93 CONECT 42 41 43 94 CONECT 43 42 44 38 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 51 95 CONECT 47 46 48 96 97 CONECT 48 47 49 98 99 CONECT 49 48 50 100 CONECT 50 49 51 CONECT 51 50 52 46 CONECT 52 51 53 4 CONECT 53 52 CONECT 54 1 CONECT 55 1 CONECT 56 1 CONECT 57 2 CONECT 58 3 CONECT 59 3 CONECT 60 3 CONECT 61 4 CONECT 62 5 CONECT 63 8 CONECT 64 9 CONECT 65 9 CONECT 66 11 CONECT 67 13 CONECT 68 14 CONECT 69 17 CONECT 70 19 CONECT 71 20 CONECT 72 24 CONECT 73 25 CONECT 74 25 CONECT 75 26 CONECT 76 26 CONECT 77 27 CONECT 78 27 CONECT 79 28 CONECT 80 32 CONECT 81 33 CONECT 82 33 CONECT 83 33 CONECT 84 35 CONECT 85 35 CONECT 86 35 CONECT 87 38 CONECT 88 39 CONECT 89 39 CONECT 90 40 CONECT 91 40 CONECT 92 41 CONECT 93 41 CONECT 94 42 CONECT 95 46 CONECT 96 47 CONECT 97 47 CONECT 98 48 CONECT 99 48 CONECT 100 49 MASTER 0 0 0 0 0 0 0 0 100 0 212 0 END