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 2.596 -4.989 -0.848 0.00 0.00 C+0 HETATM 2 C UNK 0 1.771 -4.903 0.367 0.00 0.00 C+0 HETATM 3 C UNK 0 1.811 -3.675 1.213 0.00 0.00 C+0 HETATM 4 C UNK 0 0.881 -3.813 2.390 0.00 0.00 C+0 HETATM 5 C UNK 0 1.704 -2.363 0.488 0.00 0.00 C+0 HETATM 6 N UNK 0 0.578 -2.210 -0.377 0.00 0.00 N+0 HETATM 7 C UNK 0 -0.690 -1.687 -0.282 0.00 0.00 C+0 HETATM 8 O UNK 0 -0.946 -0.639 -1.022 0.00 0.00 O+0 HETATM 9 C UNK 0 -1.865 -2.095 0.523 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.153 -3.589 0.457 0.00 0.00 C+0 HETATM 11 C UNK 0 -3.361 -3.821 1.344 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.526 -3.757 -0.987 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.195 -2.477 -1.345 0.00 0.00 C+0 HETATM 14 N UNK 0 -3.123 -1.660 -0.113 0.00 0.00 N+0 HETATM 15 C UNK 0 -4.027 -0.722 0.381 0.00 0.00 C+0 HETATM 16 O UNK 0 -5.251 -1.103 0.586 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.742 0.681 0.702 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.016 1.479 0.821 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.831 1.498 -0.431 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.088 2.099 -1.604 0.00 0.00 C+0 HETATM 21 C UNK 0 -7.021 2.430 -0.167 0.00 0.00 C+0 HETATM 22 O UNK 0 -3.001 0.807 1.871 0.00 0.00 O+0 HETATM 23 C UNK 0 -2.274 1.935 2.228 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.525 1.861 3.229 0.00 0.00 O+0 HETATM 25 C UNK 0 -2.320 3.228 1.506 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.013 3.987 1.543 0.00 0.00 C+0 HETATM 27 N UNK 0 -0.726 4.582 0.226 0.00 0.00 N+0 HETATM 28 C UNK 0 0.187 3.933 -0.666 0.00 0.00 C+0 HETATM 29 O UNK 0 -0.104 3.926 -1.883 0.00 0.00 O+0 HETATM 30 C UNK 0 1.433 3.301 -0.103 0.00 0.00 C+0 HETATM 31 C UNK 0 2.305 4.368 0.525 0.00 0.00 C+0 HETATM 32 N UNK 0 2.171 2.747 -1.222 0.00 0.00 N+0 HETATM 33 C UNK 0 2.627 3.711 -2.220 0.00 0.00 C+0 HETATM 34 C UNK 0 2.466 1.392 -1.413 0.00 0.00 C+0 HETATM 35 O UNK 0 2.333 0.945 -2.606 0.00 0.00 O+0 HETATM 36 C UNK 0 2.909 0.459 -0.363 0.00 0.00 C+0 HETATM 37 C UNK 0 3.846 1.008 0.622 0.00 0.00 C+0 HETATM 38 C UNK 0 4.303 -0.001 1.691 0.00 0.00 C+0 HETATM 39 C UNK 0 5.067 1.721 0.187 0.00 0.00 C+0 HETATM 40 C UNK 0 6.058 0.964 -0.624 0.00 0.00 C+0 HETATM 41 N UNK 0 3.292 -0.831 -0.870 0.00 0.00 N+0 HETATM 42 C UNK 0 3.957 -1.055 -2.153 0.00 0.00 C+0 HETATM 43 C UNK 0 3.026 -2.016 -0.081 0.00 0.00 C+0 HETATM 44 O UNK 0 4.040 -2.783 0.113 0.00 0.00 O+0 HETATM 45 H UNK 0 2.179 -5.863 -1.488 0.00 0.00 H+0 HETATM 46 H UNK 0 2.575 -4.161 -1.556 0.00 0.00 H+0 HETATM 47 H UNK 0 3.648 -5.293 -0.598 0.00 0.00 H+0 HETATM 48 H UNK 0 0.711 -5.169 0.076 0.00 0.00 H+0 HETATM 49 H UNK 0 2.053 -5.819 0.999 0.00 0.00 H+0 HETATM 50 H UNK 0 2.873 -3.700 1.698 0.00 0.00 H+0 HETATM 51 H UNK 0 0.088 -3.038 2.395 0.00 0.00 H+0 HETATM 52 H UNK 0 0.333 -4.802 2.359 0.00 0.00 H+0 HETATM 53 H UNK 0 1.433 -3.830 3.362 0.00 0.00 H+0 HETATM 54 H UNK 0 1.563 -1.625 1.390 0.00 0.00 H+0 HETATM 55 H UNK 0 0.810 -2.604 -1.381 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.740 -1.718 1.534 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.371 -4.240 0.796 0.00 0.00 H+0 HETATM 58 H UNK 0 -4.156 -4.264 0.724 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.138 -4.593 2.138 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.668 -2.925 1.898 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.615 -3.909 -1.591 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.187 -4.649 -1.102 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.243 -2.715 -1.618 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.679 -2.005 -2.194 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.131 1.207 -0.098 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.749 2.515 1.074 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.621 1.049 1.633 0.00 0.00 H+0 HETATM 68 H UNK 0 -6.295 0.526 -0.698 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.761 1.998 -2.492 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.963 3.188 -1.437 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.162 1.582 -1.851 0.00 0.00 H+0 HETATM 72 H UNK 0 -7.317 2.274 0.892 0.00 0.00 H+0 HETATM 73 H UNK 0 -6.713 3.487 -0.363 0.00 0.00 H+0 HETATM 74 H UNK 0 -7.882 2.164 -0.788 0.00 0.00 H+0 HETATM 75 H UNK 0 -3.064 3.922 2.002 0.00 0.00 H+0 HETATM 76 H UNK 0 -2.547 3.084 0.421 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.241 3.302 1.884 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.028 4.852 2.243 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.192 5.467 -0.035 0.00 0.00 H+0 HETATM 80 H UNK 0 1.156 2.526 0.643 0.00 0.00 H+0 HETATM 81 H UNK 0 3.242 4.503 -0.021 0.00 0.00 H+0 HETATM 82 H UNK 0 2.554 4.040 1.560 0.00 0.00 H+0 HETATM 83 H UNK 0 1.799 5.356 0.547 0.00 0.00 H+0 HETATM 84 H UNK 0 2.402 3.323 -3.246 0.00 0.00 H+0 HETATM 85 H UNK 0 3.713 3.838 -2.155 0.00 0.00 H+0 HETATM 86 H UNK 0 2.081 4.676 -2.147 0.00 0.00 H+0 HETATM 87 H UNK 0 1.924 0.235 0.201 0.00 0.00 H+0 HETATM 88 H UNK 0 3.284 1.773 1.271 0.00 0.00 H+0 HETATM 89 H UNK 0 4.768 0.644 2.504 0.00 0.00 H+0 HETATM 90 H UNK 0 5.126 -0.633 1.351 0.00 0.00 H+0 HETATM 91 H UNK 0 3.469 -0.497 2.193 0.00 0.00 H+0 HETATM 92 H UNK 0 5.598 2.010 1.153 0.00 0.00 H+0 HETATM 93 H UNK 0 4.853 2.733 -0.256 0.00 0.00 H+0 HETATM 94 H UNK 0 7.097 1.278 -0.289 0.00 0.00 H+0 HETATM 95 H UNK 0 6.013 -0.103 -0.402 0.00 0.00 H+0 HETATM 96 H UNK 0 6.050 1.231 -1.702 0.00 0.00 H+0 HETATM 97 H UNK 0 3.303 -1.618 -2.883 0.00 0.00 H+0 HETATM 98 H UNK 0 4.360 -0.146 -2.610 0.00 0.00 H+0 HETATM 99 H UNK 0 4.843 -1.742 -2.011 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 1 3 48 49 CONECT 3 2 4 5 50 CONECT 4 3 51 52 53 CONECT 5 3 6 43 54 CONECT 6 5 7 55 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 14 56 CONECT 10 9 11 12 57 CONECT 11 10 58 59 60 CONECT 12 10 13 61 62 CONECT 13 12 14 63 64 CONECT 14 13 15 9 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 22 65 CONECT 18 17 19 66 67 CONECT 19 18 20 21 68 CONECT 20 19 69 70 71 CONECT 21 19 72 73 74 CONECT 22 17 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 75 76 CONECT 26 25 27 77 78 CONECT 27 26 28 79 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 32 80 CONECT 31 30 81 82 83 CONECT 32 30 33 34 CONECT 33 32 84 85 86 CONECT 34 32 35 36 CONECT 35 34 CONECT 36 34 37 41 87 CONECT 37 36 38 39 88 CONECT 38 37 89 90 91 CONECT 39 37 40 92 93 CONECT 40 39 94 95 96 CONECT 41 36 42 43 CONECT 42 41 97 98 99 CONECT 43 41 44 5 CONECT 44 43 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 2 CONECT 49 2 CONECT 50 3 CONECT 51 4 CONECT 52 4 CONECT 53 4 CONECT 54 5 CONECT 55 6 CONECT 56 9 CONECT 57 10 CONECT 58 11 CONECT 59 11 CONECT 60 11 CONECT 61 12 CONECT 62 12 CONECT 63 13 CONECT 64 13 CONECT 65 17 CONECT 66 18 CONECT 67 18 CONECT 68 19 CONECT 69 20 CONECT 70 20 CONECT 71 20 CONECT 72 21 CONECT 73 21 CONECT 74 21 CONECT 75 25 CONECT 76 25 CONECT 77 26 CONECT 78 26 CONECT 79 27 CONECT 80 30 CONECT 81 31 CONECT 82 31 CONECT 83 31 CONECT 84 33 CONECT 85 33 CONECT 86 33 CONECT 87 36 CONECT 88 37 CONECT 89 38 CONECT 90 38 CONECT 91 38 CONECT 92 39 CONECT 93 39 CONECT 94 40 CONECT 95 40 CONECT 96 40 CONECT 97 42 CONECT 98 42 CONECT 99 42 MASTER 0 0 0 0 0 0 0 0 99 0 200 0 END