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 11.004 1.678 0.424 0.00 0.00 C+0 HETATM 2 C UNK 0 11.148 0.916 -0.881 0.00 0.00 C+0 HETATM 3 C UNK 0 11.166 -0.555 -0.692 0.00 0.00 C+0 HETATM 4 C UNK 0 12.325 -1.060 0.134 0.00 0.00 C+0 HETATM 5 C UNK 0 11.142 -1.299 -1.980 0.00 0.00 C+0 HETATM 6 C UNK 0 9.890 -0.996 -2.824 0.00 0.00 C+0 HETATM 7 C UNK 0 9.996 -1.841 -4.086 0.00 0.00 C+0 HETATM 8 C UNK 0 8.721 -1.310 -2.005 0.00 0.00 C+0 HETATM 9 C UNK 0 7.747 -0.528 -1.616 0.00 0.00 C+0 HETATM 10 C UNK 0 7.768 0.902 -2.046 0.00 0.00 C+0 HETATM 11 C UNK 0 6.559 -0.981 -0.853 0.00 0.00 C+0 HETATM 12 C UNK 0 5.685 -0.102 -0.435 0.00 0.00 C+0 HETATM 13 C UNK 0 4.474 -0.333 0.303 0.00 0.00 C+0 HETATM 14 C UNK 0 4.418 0.230 1.744 0.00 0.00 C+0 HETATM 15 C UNK 0 4.803 1.659 1.860 0.00 0.00 C+0 HETATM 16 C UNK 0 2.908 0.071 2.099 0.00 0.00 C+0 HETATM 17 O UNK 0 2.547 -1.208 1.954 0.00 0.00 O+0 HETATM 18 C UNK 0 2.044 1.224 1.786 0.00 0.00 C+0 HETATM 19 C UNK 0 2.116 1.710 0.395 0.00 0.00 C+0 HETATM 20 C UNK 0 0.665 0.795 2.128 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.423 0.843 1.456 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.602 1.368 0.125 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.703 0.297 2.073 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.785 0.295 1.375 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.153 -0.166 1.734 0.00 0.00 C+0 HETATM 26 O UNK 0 -4.219 -0.242 3.126 0.00 0.00 O+0 HETATM 27 C UNK 0 -5.066 0.933 1.193 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.688 1.062 -0.303 0.00 0.00 C+0 HETATM 29 C UNK 0 -6.502 0.648 1.175 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.392 0.849 2.195 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.724 0.543 2.009 0.00 0.00 C+0 HETATM 32 O UNK 0 -9.612 0.764 3.090 0.00 0.00 O+0 HETATM 33 C UNK 0 -9.206 0.028 0.811 0.00 0.00 C+0 HETATM 34 C UNK 0 -10.673 -0.084 0.609 0.00 0.00 C+0 HETATM 35 O UNK 0 -10.916 0.693 -0.564 0.00 0.00 O+0 HETATM 36 C UNK 0 -11.462 -0.046 -1.558 0.00 0.00 C+0 HETATM 37 C UNK 0 -11.552 0.570 -2.923 0.00 0.00 C+0 HETATM 38 O UNK 0 -12.287 1.718 -3.003 0.00 0.00 O+0 HETATM 39 C UNK 0 -12.899 -0.442 -1.139 0.00 0.00 C+0 HETATM 40 C UNK 0 -12.656 -1.447 -0.017 0.00 0.00 C+0 HETATM 41 O UNK 0 -13.446 -1.137 1.095 0.00 0.00 O+0 HETATM 42 C UNK 0 -11.180 -1.460 0.371 0.00 0.00 C+0 HETATM 43 O UNK 0 -11.241 -2.058 1.706 0.00 0.00 O+0 HETATM 44 C UNK 0 -8.247 -0.160 -0.177 0.00 0.00 C+0 HETATM 45 O UNK 0 -8.597 -0.636 -1.319 0.00 0.00 O+0 HETATM 46 O UNK 0 -7.011 0.144 0.045 0.00 0.00 O+0 HETATM 47 H UNK 0 9.925 1.634 0.761 0.00 0.00 H+0 HETATM 48 H UNK 0 11.181 2.740 0.215 0.00 0.00 H+0 HETATM 49 H UNK 0 11.675 1.296 1.206 0.00 0.00 H+0 HETATM 50 H UNK 0 12.155 1.261 -1.284 0.00 0.00 H+0 HETATM 51 H UNK 0 10.400 1.266 -1.585 0.00 0.00 H+0 HETATM 52 H UNK 0 10.250 -0.874 -0.058 0.00 0.00 H+0 HETATM 53 H UNK 0 12.821 -0.255 0.743 0.00 0.00 H+0 HETATM 54 H UNK 0 12.022 -1.831 0.861 0.00 0.00 H+0 HETATM 55 H UNK 0 13.075 -1.508 -0.558 0.00 0.00 H+0 HETATM 56 H UNK 0 12.056 -0.998 -2.548 0.00 0.00 H+0 HETATM 57 H UNK 0 11.215 -2.390 -1.853 0.00 0.00 H+0 HETATM 58 H UNK 0 9.944 0.065 -3.082 0.00 0.00 H+0 HETATM 59 H UNK 0 9.617 -1.268 -4.959 0.00 0.00 H+0 HETATM 60 H UNK 0 9.440 -2.760 -3.887 0.00 0.00 H+0 HETATM 61 H UNK 0 11.044 -2.059 -4.258 0.00 0.00 H+0 HETATM 62 H UNK 0 8.626 -2.358 -1.639 0.00 0.00 H+0 HETATM 63 H UNK 0 6.710 1.102 -2.464 0.00 0.00 H+0 HETATM 64 H UNK 0 7.917 1.608 -1.230 0.00 0.00 H+0 HETATM 65 H UNK 0 8.400 1.091 -2.914 0.00 0.00 H+0 HETATM 66 H UNK 0 6.441 -2.018 -0.656 0.00 0.00 H+0 HETATM 67 H UNK 0 5.943 0.964 -0.677 0.00 0.00 H+0 HETATM 68 H UNK 0 4.475 -1.512 0.473 0.00 0.00 H+0 HETATM 69 H UNK 0 3.576 -0.206 -0.272 0.00 0.00 H+0 HETATM 70 H UNK 0 4.974 -0.406 2.379 0.00 0.00 H+0 HETATM 71 H UNK 0 5.651 1.752 2.642 0.00 0.00 H+0 HETATM 72 H UNK 0 5.348 1.982 0.923 0.00 0.00 H+0 HETATM 73 H UNK 0 4.102 2.405 2.134 0.00 0.00 H+0 HETATM 74 H UNK 0 3.002 0.149 3.293 0.00 0.00 H+0 HETATM 75 H UNK 0 1.939 -1.456 1.216 0.00 0.00 H+0 HETATM 76 H UNK 0 2.315 2.038 2.532 0.00 0.00 H+0 HETATM 77 H UNK 0 3.182 1.980 0.054 0.00 0.00 H+0 HETATM 78 H UNK 0 1.694 2.750 0.405 0.00 0.00 H+0 HETATM 79 H UNK 0 1.656 1.065 -0.314 0.00 0.00 H+0 HETATM 80 H UNK 0 0.531 0.349 3.167 0.00 0.00 H+0 HETATM 81 H UNK 0 -0.940 0.562 -0.609 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.632 1.969 0.237 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.055 2.177 -0.312 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.729 -0.087 3.076 0.00 0.00 H+0 HETATM 85 H UNK 0 -2.736 0.636 0.302 0.00 0.00 H+0 HETATM 86 H UNK 0 -4.425 -1.111 1.312 0.00 0.00 H+0 HETATM 87 H UNK 0 -4.393 -1.168 3.418 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.832 1.835 1.750 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.637 1.399 -0.829 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.321 0.111 -0.685 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.967 1.860 -0.475 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.050 1.239 3.177 0.00 0.00 H+0 HETATM 93 H UNK 0 -9.257 1.102 3.965 0.00 0.00 H+0 HETATM 94 H UNK 0 -11.194 0.462 1.400 0.00 0.00 H+0 HETATM 95 H UNK 0 -10.970 -1.056 -1.668 0.00 0.00 H+0 HETATM 96 H UNK 0 -10.502 0.747 -3.270 0.00 0.00 H+0 HETATM 97 H UNK 0 -11.978 -0.170 -3.648 0.00 0.00 H+0 HETATM 98 H UNK 0 -12.043 2.228 -3.843 0.00 0.00 H+0 HETATM 99 H UNK 0 -13.392 -0.849 -2.022 0.00 0.00 H+0 HETATM 100 H UNK 0 -13.410 0.431 -0.705 0.00 0.00 H+0 HETATM 101 H UNK 0 -12.929 -2.441 -0.372 0.00 0.00 H+0 HETATM 102 H UNK 0 -13.786 -0.214 1.036 0.00 0.00 H+0 HETATM 103 H UNK 0 -10.568 -2.108 -0.176 0.00 0.00 H+0 HETATM 104 H UNK 0 -11.444 -3.010 1.581 0.00 0.00 H+0 CONECT 1 2 47 48 49 CONECT 2 1 3 50 51 CONECT 3 2 4 5 52 CONECT 4 3 53 54 55 CONECT 5 3 6 56 57 CONECT 6 5 7 8 58 CONECT 7 6 59 60 61 CONECT 8 6 9 62 CONECT 9 8 10 11 CONECT 10 9 63 64 65 CONECT 11 9 12 66 CONECT 12 11 13 67 CONECT 13 12 14 68 69 CONECT 14 13 15 16 70 CONECT 15 14 71 72 73 CONECT 16 14 17 18 74 CONECT 17 16 75 CONECT 18 16 19 20 76 CONECT 19 18 77 78 79 CONECT 20 18 21 80 CONECT 21 20 22 23 CONECT 22 21 81 82 83 CONECT 23 21 24 84 CONECT 24 23 25 85 CONECT 25 24 26 27 86 CONECT 26 25 87 CONECT 27 25 28 29 88 CONECT 28 27 89 90 91 CONECT 29 27 30 46 CONECT 30 29 31 92 CONECT 31 30 32 33 CONECT 32 31 93 CONECT 33 31 34 44 CONECT 34 33 35 42 94 CONECT 35 34 36 CONECT 36 35 37 39 95 CONECT 37 36 38 96 97 CONECT 38 37 98 CONECT 39 36 40 99 100 CONECT 40 39 41 42 101 CONECT 41 40 102 CONECT 42 40 43 34 103 CONECT 43 42 104 CONECT 44 33 45 46 CONECT 45 44 CONECT 46 44 29 CONECT 47 1 CONECT 48 1 CONECT 49 1 CONECT 50 2 CONECT 51 2 CONECT 52 3 CONECT 53 4 CONECT 54 4 CONECT 55 4 CONECT 56 5 CONECT 57 5 CONECT 58 6 CONECT 59 7 CONECT 60 7 CONECT 61 7 CONECT 62 8 CONECT 63 10 CONECT 64 10 CONECT 65 10 CONECT 66 11 CONECT 67 12 CONECT 68 13 CONECT 69 13 CONECT 70 14 CONECT 71 15 CONECT 72 15 CONECT 73 15 CONECT 74 16 CONECT 75 17 CONECT 76 18 CONECT 77 19 CONECT 78 19 CONECT 79 19 CONECT 80 20 CONECT 81 22 CONECT 82 22 CONECT 83 22 CONECT 84 23 CONECT 85 24 CONECT 86 25 CONECT 87 26 CONECT 88 27 CONECT 89 28 CONECT 90 28 CONECT 91 28 CONECT 92 30 CONECT 93 32 CONECT 94 34 CONECT 95 36 CONECT 96 37 CONECT 97 37 CONECT 98 38 CONECT 99 39 CONECT 100 39 CONECT 101 40 CONECT 102 41 CONECT 103 42 CONECT 104 43 MASTER 0 0 0 0 0 0 0 0 104 0 210 0 END