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 -6.500 -0.620 -0.652 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.295 -0.283 0.187 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.250 -1.399 0.119 0.00 0.00 C+0 HETATM 4 O UNK 0 -3.182 -1.034 0.900 0.00 0.00 O+0 HETATM 5 C UNK 0 -2.436 0.100 1.009 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.219 0.475 2.217 0.00 0.00 O+0 HETATM 7 C UNK 0 -1.911 0.851 -0.120 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.085 0.182 -1.462 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.504 1.336 0.007 0.00 0.00 C+0 HETATM 10 O UNK 0 -0.534 2.577 0.662 0.00 0.00 O+0 HETATM 11 C UNK 0 -0.130 3.633 -0.151 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.310 4.553 -0.458 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.824 5.977 -0.372 0.00 0.00 C+0 HETATM 14 C UNK 0 0.248 6.309 -1.360 0.00 0.00 C+0 HETATM 15 O UNK 0 -1.951 6.794 -0.619 0.00 0.00 O+0 HETATM 16 C UNK 0 -0.386 6.199 1.071 0.00 0.00 C+0 HETATM 17 O UNK 0 -1.518 5.948 1.857 0.00 0.00 O+0 HETATM 18 C UNK 0 0.658 5.171 1.381 0.00 0.00 C+0 HETATM 19 C UNK 0 1.944 5.920 1.731 0.00 0.00 C+0 HETATM 20 O UNK 0 0.950 4.332 0.328 0.00 0.00 O+0 HETATM 21 C UNK 0 0.466 0.462 0.680 0.00 0.00 C+0 HETATM 22 C UNK 0 1.698 1.300 0.980 0.00 0.00 C+0 HETATM 23 C UNK 0 0.949 -0.741 -0.095 0.00 0.00 C+0 HETATM 24 O UNK 0 2.344 -0.788 -0.213 0.00 0.00 O+0 HETATM 25 C UNK 0 2.801 -0.975 -1.496 0.00 0.00 C+0 HETATM 26 O UNK 0 3.382 -2.246 -1.657 0.00 0.00 O+0 HETATM 27 C UNK 0 4.568 -2.388 -0.989 0.00 0.00 C+0 HETATM 28 C UNK 0 4.552 -3.502 0.029 0.00 0.00 C+0 HETATM 29 C UNK 0 5.096 -1.105 -0.386 0.00 0.00 C+0 HETATM 30 C UNK 0 5.133 -0.078 -1.498 0.00 0.00 C+0 HETATM 31 N UNK 0 5.770 1.152 -1.137 0.00 0.00 N+0 HETATM 32 C UNK 0 5.124 1.874 -0.085 0.00 0.00 C+0 HETATM 33 C UNK 0 7.123 0.821 -0.698 0.00 0.00 C+0 HETATM 34 C UNK 0 3.709 0.109 -1.979 0.00 0.00 C+0 HETATM 35 O UNK 0 3.724 0.126 -3.392 0.00 0.00 O+0 HETATM 36 C UNK 0 0.580 -2.022 0.673 0.00 0.00 C+0 HETATM 37 C UNK 0 0.411 -3.204 -0.210 0.00 0.00 C+0 HETATM 38 O UNK 0 0.046 -2.830 -1.493 0.00 0.00 O+0 HETATM 39 C UNK 0 -0.562 -4.225 0.367 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.599 -4.192 1.868 0.00 0.00 C+0 HETATM 41 C UNK 0 -1.885 -4.078 -0.266 0.00 0.00 C+0 HETATM 42 O UNK 0 -1.962 -3.620 -1.378 0.00 0.00 O+0 HETATM 43 C UNK 0 -3.105 -4.485 0.445 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.197 -6.012 0.298 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.358 -3.906 -0.115 0.00 0.00 C+0 HETATM 46 O UNK 0 -5.351 -4.877 -0.111 0.00 0.00 O+0 HETATM 47 C UNK 0 -4.894 -2.713 0.608 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.789 -2.819 2.112 0.00 0.00 C+0 HETATM 49 H UNK 0 -6.244 -1.252 -1.519 0.00 0.00 H+0 HETATM 50 H UNK 0 -7.301 -1.119 -0.063 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.922 0.328 -1.025 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.820 0.616 -0.249 0.00 0.00 H+0 HETATM 53 H UNK 0 -5.625 -0.094 1.222 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.075 -1.568 -0.948 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.543 1.787 -0.200 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.383 0.689 -2.192 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.847 -0.876 -1.393 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.098 0.398 -1.905 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.135 1.539 -1.018 0.00 0.00 H+0 HETATM 60 H UNK 0 0.145 3.205 -1.139 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.123 4.422 0.267 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.732 4.399 -1.460 0.00 0.00 H+0 HETATM 63 H UNK 0 0.819 5.438 -1.726 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.186 6.784 -2.286 0.00 0.00 H+0 HETATM 65 H UNK 0 0.935 7.093 -0.941 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.389 6.367 -1.422 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.062 7.231 1.238 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.192 5.916 2.802 0.00 0.00 H+0 HETATM 69 H UNK 0 0.383 4.622 2.319 0.00 0.00 H+0 HETATM 70 H UNK 0 2.603 6.011 0.827 0.00 0.00 H+0 HETATM 71 H UNK 0 1.744 6.949 2.073 0.00 0.00 H+0 HETATM 72 H UNK 0 2.529 5.362 2.484 0.00 0.00 H+0 HETATM 73 H UNK 0 0.160 0.100 1.687 0.00 0.00 H+0 HETATM 74 H UNK 0 2.026 1.856 0.106 0.00 0.00 H+0 HETATM 75 H UNK 0 2.499 0.697 1.458 0.00 0.00 H+0 HETATM 76 H UNK 0 1.377 2.032 1.775 0.00 0.00 H+0 HETATM 77 H UNK 0 0.530 -0.859 -1.088 0.00 0.00 H+0 HETATM 78 H UNK 0 1.913 -1.003 -2.174 0.00 0.00 H+0 HETATM 79 H UNK 0 5.340 -2.693 -1.757 0.00 0.00 H+0 HETATM 80 H UNK 0 4.302 -3.112 1.029 0.00 0.00 H+0 HETATM 81 H UNK 0 3.757 -4.236 -0.238 0.00 0.00 H+0 HETATM 82 H UNK 0 5.547 -3.992 0.085 0.00 0.00 H+0 HETATM 83 H UNK 0 4.555 -0.773 0.504 0.00 0.00 H+0 HETATM 84 H UNK 0 6.143 -1.323 -0.064 0.00 0.00 H+0 HETATM 85 H UNK 0 5.717 -0.558 -2.328 0.00 0.00 H+0 HETATM 86 H UNK 0 4.711 1.246 0.719 0.00 0.00 H+0 HETATM 87 H UNK 0 4.276 2.490 -0.467 0.00 0.00 H+0 HETATM 88 H UNK 0 5.861 2.596 0.339 0.00 0.00 H+0 HETATM 89 H UNK 0 7.164 0.683 0.403 0.00 0.00 H+0 HETATM 90 H UNK 0 7.441 -0.103 -1.229 0.00 0.00 H+0 HETATM 91 H UNK 0 7.822 1.616 -1.040 0.00 0.00 H+0 HETATM 92 H UNK 0 3.370 1.096 -1.665 0.00 0.00 H+0 HETATM 93 H UNK 0 4.512 0.622 -3.734 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.274 -1.786 1.306 0.00 0.00 H+0 HETATM 95 H UNK 0 1.416 -2.272 1.394 0.00 0.00 H+0 HETATM 96 H UNK 0 1.409 -3.722 -0.325 0.00 0.00 H+0 HETATM 97 H UNK 0 0.250 -3.519 -2.174 0.00 0.00 H+0 HETATM 98 H UNK 0 -0.192 -5.253 0.077 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.248 -3.405 2.282 0.00 0.00 H+0 HETATM 100 H UNK 0 0.442 -4.161 2.226 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.012 -5.171 2.215 0.00 0.00 H+0 HETATM 102 H UNK 0 -3.059 -4.309 1.537 0.00 0.00 H+0 HETATM 103 H UNK 0 -3.797 -6.440 1.116 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.630 -6.285 -0.687 0.00 0.00 H+0 HETATM 105 H UNK 0 -2.186 -6.465 0.354 0.00 0.00 H+0 HETATM 106 H UNK 0 -4.211 -3.615 -1.184 0.00 0.00 H+0 HETATM 107 H UNK 0 -5.568 -5.152 0.830 0.00 0.00 H+0 HETATM 108 H UNK 0 -5.978 -2.638 0.376 0.00 0.00 H+0 HETATM 109 H UNK 0 -5.427 -2.031 2.562 0.00 0.00 H+0 HETATM 110 H UNK 0 -3.774 -2.664 2.499 0.00 0.00 H+0 HETATM 111 H UNK 0 -5.201 -3.799 2.396 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 52 53 CONECT 3 2 4 47 54 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 9 55 CONECT 8 7 56 57 58 CONECT 9 7 10 21 59 CONECT 10 9 11 CONECT 11 10 12 20 60 CONECT 12 11 13 61 62 CONECT 13 12 14 15 16 CONECT 14 13 63 64 65 CONECT 15 13 66 CONECT 16 13 17 18 67 CONECT 17 16 68 CONECT 18 16 19 20 69 CONECT 19 18 70 71 72 CONECT 20 18 11 CONECT 21 9 22 23 73 CONECT 22 21 74 75 76 CONECT 23 21 24 36 77 CONECT 24 23 25 CONECT 25 24 26 34 78 CONECT 26 25 27 CONECT 27 26 28 29 79 CONECT 28 27 80 81 82 CONECT 29 27 30 83 84 CONECT 30 29 31 34 85 CONECT 31 30 32 33 CONECT 32 31 86 87 88 CONECT 33 31 89 90 91 CONECT 34 30 35 25 92 CONECT 35 34 93 CONECT 36 23 37 94 95 CONECT 37 36 38 39 96 CONECT 38 37 97 CONECT 39 37 40 41 98 CONECT 40 39 99 100 101 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 45 102 CONECT 44 43 103 104 105 CONECT 45 43 46 47 106 CONECT 46 45 107 CONECT 47 45 48 3 108 CONECT 48 47 109 110 111 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 2 CONECT 53 2 CONECT 54 3 CONECT 55 7 CONECT 56 8 CONECT 57 8 CONECT 58 8 CONECT 59 9 CONECT 60 11 CONECT 61 12 CONECT 62 12 CONECT 63 14 CONECT 64 14 CONECT 65 14 CONECT 66 15 CONECT 67 16 CONECT 68 17 CONECT 69 18 CONECT 70 19 CONECT 71 19 CONECT 72 19 CONECT 73 21 CONECT 74 22 CONECT 75 22 CONECT 76 22 CONECT 77 23 CONECT 78 25 CONECT 79 27 CONECT 80 28 CONECT 81 28 CONECT 82 28 CONECT 83 29 CONECT 84 29 CONECT 85 30 CONECT 86 32 CONECT 87 32 CONECT 88 32 CONECT 89 33 CONECT 90 33 CONECT 91 33 CONECT 92 34 CONECT 93 35 CONECT 94 36 CONECT 95 36 CONECT 96 37 CONECT 97 38 CONECT 98 39 CONECT 99 40 CONECT 100 40 CONECT 101 40 CONECT 102 43 CONECT 103 44 CONECT 104 44 CONECT 105 44 CONECT 106 45 CONECT 107 46 CONECT 108 47 CONECT 109 48 CONECT 110 48 CONECT 111 48 MASTER 0 0 0 0 0 0 0 0 111 0 226 0 END