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 -3.543 1.775 2.634 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.898 0.535 3.085 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.911 -0.568 3.325 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.568 0.058 2.754 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.143 -0.108 1.279 0.00 0.00 C+0 HETATM 6 N UNK 0 -2.149 -0.907 0.647 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.684 -0.873 -0.638 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.312 -0.046 -1.485 0.00 0.00 O+0 HETATM 9 C UNK 0 -3.747 -1.864 -1.036 0.00 0.00 C+0 HETATM 10 O UNK 0 -4.193 -1.717 -2.309 0.00 0.00 O+0 HETATM 11 C UNK 0 -4.771 -1.774 0.053 0.00 0.00 C+0 HETATM 12 C UNK 0 -5.960 -2.625 -0.032 0.00 0.00 C+0 HETATM 13 C UNK 0 -7.141 -2.206 -0.527 0.00 0.00 C+0 HETATM 14 C UNK 0 -8.241 -3.083 -0.520 0.00 0.00 C+0 HETATM 15 Cl UNK 0 -9.805 -2.556 -1.160 0.00 0.00 Cl+0 HETATM 16 C UNK 0 -8.159 -4.362 -0.026 0.00 0.00 C+0 HETATM 17 O UNK 0 -9.262 -5.196 -0.033 0.00 0.00 O+0 HETATM 18 C UNK 0 -6.921 -4.776 0.481 0.00 0.00 C+0 HETATM 19 Cl UNK 0 -6.860 -6.434 1.080 0.00 0.00 Cl+0 HETATM 20 C UNK 0 -5.848 -3.938 0.481 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.735 1.151 0.710 0.00 0.00 C+0 HETATM 22 O UNK 0 -1.300 2.201 1.232 0.00 0.00 O+0 HETATM 23 N UNK 0 0.170 1.485 -0.331 0.00 0.00 N+0 HETATM 24 C UNK 0 0.953 0.885 -1.313 0.00 0.00 C+0 HETATM 25 C UNK 0 2.124 0.072 -1.132 0.00 0.00 C+0 HETATM 26 O UNK 0 2.938 -0.023 -2.166 0.00 0.00 O+0 HETATM 27 N UNK 0 2.555 -0.668 -0.019 0.00 0.00 N+0 HETATM 28 C UNK 0 3.738 -1.482 -0.105 0.00 0.00 C+0 HETATM 29 C UNK 0 3.974 -2.265 1.185 0.00 0.00 C+0 HETATM 30 C UNK 0 5.118 -3.202 1.041 0.00 0.00 C+0 HETATM 31 C UNK 0 6.411 -2.528 0.715 0.00 0.00 C+0 HETATM 32 N UNK 0 7.471 -3.512 0.539 0.00 0.00 N+0 HETATM 33 C UNK 0 8.272 -3.555 -0.452 0.00 0.00 C+0 HETATM 34 N UNK 0 8.195 -2.603 -1.517 0.00 0.00 N+0 HETATM 35 N UNK 0 9.266 -4.598 -0.563 0.00 0.00 N+0 HETATM 36 C UNK 0 1.182 1.927 -2.446 0.00 0.00 C+0 HETATM 37 C UNK 0 0.076 2.896 -2.075 0.00 0.00 C+0 HETATM 38 C UNK 0 0.179 4.282 -2.548 0.00 0.00 C+0 HETATM 39 C UNK 0 1.587 4.794 -2.378 0.00 0.00 C+0 HETATM 40 C UNK 0 2.136 4.647 -0.978 0.00 0.00 C+0 HETATM 41 O UNK 0 1.710 5.763 -0.239 0.00 0.00 O+0 HETATM 42 S UNK 0 2.899 6.957 -0.161 0.00 0.00 S+0 HETATM 43 O UNK 0 2.531 7.962 0.874 0.00 0.00 O+0 HETATM 44 O UNK 0 4.263 6.384 0.074 0.00 0.00 O+0 HETATM 45 O UNK 0 2.923 7.660 -1.707 0.00 0.00 O+0 HETATM 46 C UNK 0 1.762 3.363 -0.298 0.00 0.00 C+0 HETATM 47 C UNK 0 0.378 2.954 -0.555 0.00 0.00 C+0 HETATM 48 H UNK 0 -4.664 1.718 2.980 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.210 2.735 3.061 0.00 0.00 H+0 HETATM 50 H UNK 0 -3.721 1.928 1.552 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.731 0.843 4.253 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.430 -0.500 4.323 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.439 -1.560 3.338 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.779 -0.497 2.614 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.512 -0.999 3.147 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.750 0.599 3.226 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.233 -0.701 1.318 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.527 -1.719 1.270 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.295 -2.905 -0.945 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.183 -0.771 -2.636 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.239 -2.076 1.011 0.00 0.00 H+0 HETATM 62 H UNK 0 -5.088 -0.700 0.204 0.00 0.00 H+0 HETATM 63 H UNK 0 -7.301 -1.221 -0.916 0.00 0.00 H+0 HETATM 64 H UNK 0 -10.125 -4.855 -0.417 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.906 -4.271 0.873 0.00 0.00 H+0 HETATM 66 H UNK 0 0.252 0.146 -1.936 0.00 0.00 H+0 HETATM 67 H UNK 0 2.036 -0.624 0.861 0.00 0.00 H+0 HETATM 68 H UNK 0 4.639 -0.804 -0.224 0.00 0.00 H+0 HETATM 69 H UNK 0 3.660 -2.113 -0.976 0.00 0.00 H+0 HETATM 70 H UNK 0 3.030 -2.908 1.289 0.00 0.00 H+0 HETATM 71 H UNK 0 4.043 -1.639 2.057 0.00 0.00 H+0 HETATM 72 H UNK 0 5.316 -3.736 2.044 0.00 0.00 H+0 HETATM 73 H UNK 0 4.930 -4.056 0.355 0.00 0.00 H+0 HETATM 74 H UNK 0 6.397 -1.823 -0.114 0.00 0.00 H+0 HETATM 75 H UNK 0 6.730 -1.978 1.668 0.00 0.00 H+0 HETATM 76 H UNK 0 7.283 -2.271 -1.864 0.00 0.00 H+0 HETATM 77 H UNK 0 9.114 -2.265 -1.928 0.00 0.00 H+0 HETATM 78 H UNK 0 9.146 -5.372 -1.229 0.00 0.00 H+0 HETATM 79 H UNK 0 10.096 -4.502 0.063 0.00 0.00 H+0 HETATM 80 H UNK 0 2.175 2.349 -2.359 0.00 0.00 H+0 HETATM 81 H UNK 0 1.076 1.491 -3.434 0.00 0.00 H+0 HETATM 82 H UNK 0 -0.906 2.451 -2.188 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.428 4.896 -1.802 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.196 4.538 -3.528 0.00 0.00 H+0 HETATM 85 H UNK 0 2.298 4.431 -3.141 0.00 0.00 H+0 HETATM 86 H UNK 0 1.505 5.911 -2.555 0.00 0.00 H+0 HETATM 87 H UNK 0 3.226 4.707 -1.086 0.00 0.00 H+0 HETATM 88 H UNK 0 2.068 8.131 -1.871 0.00 0.00 H+0 HETATM 89 H UNK 0 1.875 3.575 0.798 0.00 0.00 H+0 HETATM 90 H UNK 0 2.482 2.565 -0.496 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.373 3.569 -0.100 0.00 0.00 H+0 CONECT 1 2 48 49 50 CONECT 2 1 3 4 51 CONECT 3 2 52 53 54 CONECT 4 2 5 55 56 CONECT 5 4 6 21 57 CONECT 6 5 7 58 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 59 CONECT 10 9 60 CONECT 11 9 12 61 62 CONECT 12 11 13 20 CONECT 13 12 14 63 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 18 CONECT 17 16 64 CONECT 18 16 19 20 CONECT 19 18 CONECT 20 18 12 65 CONECT 21 5 22 23 CONECT 22 21 CONECT 23 21 24 47 CONECT 24 23 25 36 66 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 67 CONECT 28 27 29 68 69 CONECT 29 28 30 70 71 CONECT 30 29 31 72 73 CONECT 31 30 32 74 75 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 76 77 CONECT 35 33 78 79 CONECT 36 24 37 80 81 CONECT 37 36 38 47 82 CONECT 38 37 39 83 84 CONECT 39 38 40 85 86 CONECT 40 39 41 46 87 CONECT 41 40 42 CONECT 42 41 43 44 45 CONECT 43 42 CONECT 44 42 CONECT 45 42 88 CONECT 46 40 47 89 90 CONECT 47 46 23 37 91 CONECT 48 1 CONECT 49 1 CONECT 50 1 CONECT 51 2 CONECT 52 3 CONECT 53 3 CONECT 54 3 CONECT 55 4 CONECT 56 4 CONECT 57 5 CONECT 58 6 CONECT 59 9 CONECT 60 10 CONECT 61 11 CONECT 62 11 CONECT 63 13 CONECT 64 17 CONECT 65 20 CONECT 66 24 CONECT 67 27 CONECT 68 28 CONECT 69 28 CONECT 70 29 CONECT 71 29 CONECT 72 30 CONECT 73 30 CONECT 74 31 CONECT 75 31 CONECT 76 34 CONECT 77 34 CONECT 78 35 CONECT 79 35 CONECT 80 36 CONECT 81 36 CONECT 82 37 CONECT 83 38 CONECT 84 38 CONECT 85 39 CONECT 86 39 CONECT 87 40 CONECT 88 45 CONECT 89 46 CONECT 90 46 CONECT 91 47 MASTER 0 0 0 0 0 0 0 0 91 0 186 0 END