HEADER PROTEIN 27-MAY-23 NONE TITLE NULL COMPND MOLECULE: NP0022672 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-MAY-23 0 HETATM 1 C UNK 0 -1.396 6.275 -0.056 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.276 4.929 -0.694 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.347 4.242 -1.153 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.321 2.938 -1.791 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.327 2.083 -2.020 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.723 2.204 -1.673 0.00 0.00 C+0 HETATM 7 C UNK 0 -5.573 1.183 -1.875 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.054 1.159 -1.575 0.00 0.00 C+0 HETATM 9 C UNK 0 -7.790 2.315 -2.269 0.00 0.00 C+0 HETATM 10 C UNK 0 -7.424 1.108 -0.067 0.00 0.00 C+0 HETATM 11 O UNK 0 -8.753 0.590 0.083 0.00 0.00 O+0 HETATM 12 C UNK 0 -6.488 0.321 0.857 0.00 0.00 C+0 HETATM 13 C UNK 0 -6.270 -1.125 0.444 0.00 0.00 C+0 HETATM 14 O UNK 0 -6.993 -1.701 -0.367 0.00 0.00 O+0 HETATM 15 C UNK 0 -5.117 -1.840 1.097 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.974 -1.645 2.576 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.340 -2.612 0.311 0.00 0.00 C+0 HETATM 18 C UNK 0 -3.099 -3.353 0.759 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.007 -3.412 -0.335 0.00 0.00 C+0 HETATM 20 O UNK 0 -2.213 -4.558 -1.158 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.621 -3.405 0.267 0.00 0.00 C+0 HETATM 22 C UNK 0 0.324 -4.365 0.245 0.00 0.00 C+0 HETATM 23 C UNK 0 1.734 -4.273 0.846 0.00 0.00 C+0 HETATM 24 C UNK 0 1.980 -2.968 1.595 0.00 0.00 C+0 HETATM 25 C UNK 0 2.799 -4.595 -0.260 0.00 0.00 C+0 HETATM 26 O UNK 0 2.801 -6.032 -0.426 0.00 0.00 O+0 HETATM 27 C UNK 0 4.266 -4.091 -0.019 0.00 0.00 C+0 HETATM 28 C UNK 0 5.296 -4.936 -0.787 0.00 0.00 C+0 HETATM 29 C UNK 0 4.437 -2.651 -0.476 0.00 0.00 C+0 HETATM 30 C UNK 0 5.041 -1.615 0.148 0.00 0.00 C+0 HETATM 31 C UNK 0 5.723 -1.665 1.476 0.00 0.00 C+0 HETATM 32 C UNK 0 4.988 -0.309 -0.596 0.00 0.00 C+0 HETATM 33 O UNK 0 4.665 -0.220 -1.782 0.00 0.00 O+0 HETATM 34 C UNK 0 5.264 0.971 0.084 0.00 0.00 C+0 HETATM 35 C UNK 0 6.543 1.537 -0.001 0.00 0.00 C+0 HETATM 36 O UNK 0 7.579 0.745 -0.412 0.00 0.00 O+0 HETATM 37 C UNK 0 6.753 2.891 0.321 0.00 0.00 C+0 HETATM 38 C UNK 0 8.118 3.522 0.258 0.00 0.00 C+0 HETATM 39 C UNK 0 5.644 3.691 0.654 0.00 0.00 C+0 HETATM 40 C UNK 0 4.357 3.135 0.706 0.00 0.00 C+0 HETATM 41 C UNK 0 4.181 1.773 0.471 0.00 0.00 C+0 HETATM 42 C UNK 0 2.849 1.207 0.687 0.00 0.00 C+0 HETATM 43 O UNK 0 2.736 0.058 1.093 0.00 0.00 O+0 HETATM 44 C UNK 0 1.690 2.098 0.495 0.00 0.00 C+0 HETATM 45 Cl UNK 0 0.160 1.303 0.335 0.00 0.00 Cl+0 HETATM 46 C UNK 0 1.837 3.429 0.586 0.00 0.00 C+0 HETATM 47 N UNK 0 0.794 4.331 0.415 0.00 0.00 N+0 HETATM 48 C UNK 0 0.093 4.331 -0.779 0.00 0.00 C+0 HETATM 49 O UNK 0 0.545 3.857 -1.816 0.00 0.00 O+0 HETATM 50 C UNK 0 3.175 4.002 0.925 0.00 0.00 C+0 HETATM 51 O UNK 0 3.285 5.166 1.297 0.00 0.00 O+0 HETATM 52 H UNK 0 -2.394 6.703 -0.190 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.680 6.972 -0.501 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.204 6.218 1.020 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.332 4.689 -1.039 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.349 2.593 -2.142 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.051 1.155 -2.526 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.074 3.133 -1.239 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.197 0.253 -2.304 0.00 0.00 H+0 HETATM 60 H UNK 0 -7.445 0.248 -2.052 0.00 0.00 H+0 HETATM 61 H UNK 0 -7.514 3.288 -1.844 0.00 0.00 H+0 HETATM 62 H UNK 0 -7.565 2.337 -3.342 0.00 0.00 H+0 HETATM 63 H UNK 0 -8.874 2.205 -2.166 0.00 0.00 H+0 HETATM 64 H UNK 0 -7.460 2.136 0.317 0.00 0.00 H+0 HETATM 65 H UNK 0 -8.738 -0.315 -0.299 0.00 0.00 H+0 HETATM 66 H UNK 0 -5.515 0.824 0.914 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.925 0.299 1.861 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.575 -0.651 2.798 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.948 -1.746 3.068 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.312 -2.385 3.032 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.590 -2.714 -0.747 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.399 -4.369 1.040 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.689 -2.869 1.650 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.078 -2.538 -0.992 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.112 -5.341 -0.593 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.394 -2.455 0.752 0.00 0.00 H+0 HETATM 77 H UNK 0 0.114 -5.308 -0.260 0.00 0.00 H+0 HETATM 78 H UNK 0 1.782 -5.075 1.599 0.00 0.00 H+0 HETATM 79 H UNK 0 1.228 -2.816 2.380 0.00 0.00 H+0 HETATM 80 H UNK 0 2.951 -2.966 2.097 0.00 0.00 H+0 HETATM 81 H UNK 0 1.930 -2.125 0.903 0.00 0.00 H+0 HETATM 82 H UNK 0 2.450 -4.198 -1.223 0.00 0.00 H+0 HETATM 83 H UNK 0 3.116 -6.417 0.411 0.00 0.00 H+0 HETATM 84 H UNK 0 4.500 -4.200 1.044 0.00 0.00 H+0 HETATM 85 H UNK 0 5.325 -5.966 -0.411 0.00 0.00 H+0 HETATM 86 H UNK 0 5.066 -4.970 -1.859 0.00 0.00 H+0 HETATM 87 H UNK 0 6.307 -4.529 -0.670 0.00 0.00 H+0 HETATM 88 H UNK 0 3.993 -2.462 -1.458 0.00 0.00 H+0 HETATM 89 H UNK 0 5.121 -1.160 2.239 0.00 0.00 H+0 HETATM 90 H UNK 0 5.895 -2.688 1.813 0.00 0.00 H+0 HETATM 91 H UNK 0 6.706 -1.182 1.432 0.00 0.00 H+0 HETATM 92 H UNK 0 8.237 1.289 -0.883 0.00 0.00 H+0 HETATM 93 H UNK 0 8.830 2.934 0.845 0.00 0.00 H+0 HETATM 94 H UNK 0 8.108 4.534 0.675 0.00 0.00 H+0 HETATM 95 H UNK 0 8.457 3.591 -0.782 0.00 0.00 H+0 HETATM 96 H UNK 0 5.774 4.758 0.850 0.00 0.00 H+0 HETATM 97 H UNK 0 0.978 5.266 0.778 0.00 0.00 H+0 CONECT 1 2 52 53 54 CONECT 2 1 3 48 CONECT 3 2 4 55 CONECT 4 3 5 56 CONECT 5 4 6 57 CONECT 6 5 7 58 CONECT 7 6 8 59 CONECT 8 7 9 10 60 CONECT 9 8 61 62 63 CONECT 10 8 11 12 64 CONECT 11 10 65 CONECT 12 10 13 66 67 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 17 CONECT 16 15 68 69 70 CONECT 17 15 18 71 CONECT 18 17 19 72 73 CONECT 19 18 20 21 74 CONECT 20 19 75 CONECT 21 19 22 76 CONECT 22 21 23 77 CONECT 23 22 24 25 78 CONECT 24 23 79 80 81 CONECT 25 23 26 27 82 CONECT 26 25 83 CONECT 27 25 28 29 84 CONECT 28 27 85 86 87 CONECT 29 27 30 88 CONECT 30 29 31 32 CONECT 31 30 89 90 91 CONECT 32 30 33 34 CONECT 33 32 CONECT 34 32 35 41 CONECT 35 34 36 37 CONECT 36 35 92 CONECT 37 35 38 39 CONECT 38 37 93 94 95 CONECT 39 37 40 96 CONECT 40 39 41 50 CONECT 41 40 42 34 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 46 CONECT 45 44 CONECT 46 44 47 50 CONECT 47 46 48 97 CONECT 48 47 49 2 CONECT 49 48 CONECT 50 46 51 40 CONECT 51 50 CONECT 52 1 CONECT 53 1 CONECT 54 1 CONECT 55 3 CONECT 56 4 CONECT 57 5 CONECT 58 6 CONECT 59 7 CONECT 60 8 CONECT 61 9 CONECT 62 9 CONECT 63 9 CONECT 64 10 CONECT 65 11 CONECT 66 12 CONECT 67 12 CONECT 68 16 CONECT 69 16 CONECT 70 16 CONECT 71 17 CONECT 72 18 CONECT 73 18 CONECT 74 19 CONECT 75 20 CONECT 76 21 CONECT 77 22 CONECT 78 23 CONECT 79 24 CONECT 80 24 CONECT 81 24 CONECT 82 25 CONECT 83 26 CONECT 84 27 CONECT 85 28 CONECT 86 28 CONECT 87 28 CONECT 88 29 CONECT 89 31 CONECT 90 31 CONECT 91 31 CONECT 92 36 CONECT 93 38 CONECT 94 38 CONECT 95 38 CONECT 96 39 CONECT 97 47 MASTER 0 0 0 0 0 0 0 0 97 0 198 0 END