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 -2.821 2.080 3.473 0.00 0.00 C+0 HETATM 2 O UNK 0 -2.045 2.130 2.350 0.00 0.00 O+0 HETATM 3 C UNK 0 -2.506 1.170 1.378 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.107 2.129 0.352 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.382 2.409 0.207 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.511 1.936 0.903 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.489 1.100 0.500 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.548 0.820 1.561 0.00 0.00 C+0 HETATM 9 C UNK 0 -6.626 0.534 -0.815 0.00 0.00 C+0 HETATM 10 C UNK 0 -7.254 -0.714 -1.196 0.00 0.00 C+0 HETATM 11 C UNK 0 -8.720 -0.325 -1.574 0.00 0.00 C+0 HETATM 12 C UNK 0 -7.274 -1.997 -0.489 0.00 0.00 C+0 HETATM 13 O UNK 0 -7.449 -2.013 0.857 0.00 0.00 O+0 HETATM 14 C UNK 0 -6.192 -3.031 -0.973 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.824 -3.827 0.234 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.080 -2.235 -1.559 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.152 -1.516 -0.807 0.00 0.00 C+0 HETATM 18 C UNK 0 -3.212 -0.826 -1.735 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.209 -1.560 0.604 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.385 -1.851 1.606 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.883 -1.818 3.010 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.928 -1.956 1.376 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.350 -2.962 1.763 0.00 0.00 O+0 HETATM 24 O UNK 0 -1.251 -0.907 0.729 0.00 0.00 O+0 HETATM 25 C UNK 0 -1.306 0.469 0.879 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.075 1.034 1.585 0.00 0.00 C+0 HETATM 27 C UNK 0 0.007 0.848 3.035 0.00 0.00 C+0 HETATM 28 C UNK 0 1.171 0.763 0.778 0.00 0.00 C+0 HETATM 29 O UNK 0 0.953 1.399 -0.472 0.00 0.00 O+0 HETATM 30 C UNK 0 2.324 1.543 1.385 0.00 0.00 C+0 HETATM 31 C UNK 0 1.970 3.042 1.354 0.00 0.00 C+0 HETATM 32 C UNK 0 3.588 1.444 0.604 0.00 0.00 C+0 HETATM 33 O UNK 0 4.540 2.222 1.314 0.00 0.00 O+0 HETATM 34 C UNK 0 4.176 0.088 0.444 0.00 0.00 C+0 HETATM 35 C UNK 0 5.514 0.313 -0.272 0.00 0.00 C+0 HETATM 36 O UNK 0 6.246 -0.850 -0.473 0.00 0.00 O+0 HETATM 37 C UNK 0 7.497 -1.087 0.097 0.00 0.00 C+0 HETATM 38 O UNK 0 7.929 -0.147 0.826 0.00 0.00 O+0 HETATM 39 C UNK 0 8.268 -2.306 -0.109 0.00 0.00 C+0 HETATM 40 C UNK 0 7.922 -3.325 -0.830 0.00 0.00 C+0 HETATM 41 C UNK 0 8.722 -4.530 -1.013 0.00 0.00 C+0 HETATM 42 C UNK 0 8.383 -5.595 -1.753 0.00 0.00 C+0 HETATM 43 C UNK 0 9.429 -6.612 -1.702 0.00 0.00 C+0 HETATM 44 O UNK 0 9.501 -7.743 -2.249 0.00 0.00 O+0 HETATM 45 O UNK 0 10.451 -6.120 -0.882 0.00 0.00 O+0 HETATM 46 C UNK 0 10.028 -4.866 -0.466 0.00 0.00 C+0 HETATM 47 O UNK 0 10.708 -4.107 0.303 0.00 0.00 O+0 HETATM 48 C UNK 0 5.275 1.076 -1.573 0.00 0.00 C+0 HETATM 49 C UNK 0 6.554 1.080 -2.328 0.00 0.00 C+0 HETATM 50 C UNK 0 4.692 2.374 -1.192 0.00 0.00 C+0 HETATM 51 C UNK 0 4.608 3.445 -2.227 0.00 0.00 C+0 HETATM 52 C UNK 0 3.804 3.100 -3.438 0.00 0.00 C+0 HETATM 53 C UNK 0 5.950 4.057 -2.572 0.00 0.00 C+0 HETATM 54 O UNK 0 3.432 2.119 -0.607 0.00 0.00 O+0 HETATM 55 H UNK 0 -2.396 2.842 4.185 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.885 2.415 3.322 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.827 1.072 3.905 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.282 0.654 1.896 0.00 0.00 H+0 HETATM 59 H UNK 0 -2.313 2.570 -0.281 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.478 3.248 -0.572 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.778 2.329 1.935 0.00 0.00 H+0 HETATM 62 H UNK 0 -8.481 0.479 1.114 0.00 0.00 H+0 HETATM 63 H UNK 0 -7.799 1.837 1.994 0.00 0.00 H+0 HETATM 64 H UNK 0 -7.147 0.236 2.392 0.00 0.00 H+0 HETATM 65 H UNK 0 -7.191 1.420 -1.389 0.00 0.00 H+0 HETATM 66 H UNK 0 -5.636 0.655 -1.366 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.876 -1.019 -2.274 0.00 0.00 H+0 HETATM 68 H UNK 0 -9.346 -0.703 -0.726 0.00 0.00 H+0 HETATM 69 H UNK 0 -8.817 0.754 -1.643 0.00 0.00 H+0 HETATM 70 H UNK 0 -8.986 -0.843 -2.517 0.00 0.00 H+0 HETATM 71 H UNK 0 -8.212 -2.535 -0.881 0.00 0.00 H+0 HETATM 72 H UNK 0 -8.380 -1.960 1.176 0.00 0.00 H+0 HETATM 73 H UNK 0 -6.573 -3.693 -1.742 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.995 -3.276 1.173 0.00 0.00 H+0 HETATM 75 H UNK 0 -4.793 -4.251 0.170 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.489 -4.738 0.285 0.00 0.00 H+0 HETATM 77 H UNK 0 -4.942 -2.209 -2.625 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.855 0.168 -1.435 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.686 -0.685 -2.750 0.00 0.00 H+0 HETATM 80 H UNK 0 -2.304 -1.414 -1.932 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.085 -0.993 1.122 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.827 -2.416 3.110 0.00 0.00 H+0 HETATM 83 H UNK 0 -3.184 -2.309 3.715 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.143 -0.821 3.373 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.141 0.871 -0.165 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.188 2.179 1.447 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.717 0.151 3.496 0.00 0.00 H+0 HETATM 88 H UNK 0 1.006 0.365 3.331 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.000 1.772 3.640 0.00 0.00 H+0 HETATM 90 H UNK 0 1.425 -0.290 0.683 0.00 0.00 H+0 HETATM 91 H UNK 0 1.375 0.893 -1.198 0.00 0.00 H+0 HETATM 92 H UNK 0 2.551 1.275 2.426 0.00 0.00 H+0 HETATM 93 H UNK 0 1.301 3.324 2.188 0.00 0.00 H+0 HETATM 94 H UNK 0 2.938 3.580 1.542 0.00 0.00 H+0 HETATM 95 H UNK 0 1.632 3.355 0.353 0.00 0.00 H+0 HETATM 96 H UNK 0 4.808 1.700 2.119 0.00 0.00 H+0 HETATM 97 H UNK 0 3.598 -0.604 -0.189 0.00 0.00 H+0 HETATM 98 H UNK 0 4.378 -0.345 1.427 0.00 0.00 H+0 HETATM 99 H UNK 0 6.043 1.052 0.401 0.00 0.00 H+0 HETATM 100 H UNK 0 9.236 -2.365 0.400 0.00 0.00 H+0 HETATM 101 H UNK 0 6.957 -3.259 -1.331 0.00 0.00 H+0 HETATM 102 H UNK 0 7.465 -5.697 -2.312 0.00 0.00 H+0 HETATM 103 H UNK 0 4.478 0.489 -2.112 0.00 0.00 H+0 HETATM 104 H UNK 0 6.301 1.131 -3.425 0.00 0.00 H+0 HETATM 105 H UNK 0 7.077 0.081 -2.228 0.00 0.00 H+0 HETATM 106 H UNK 0 7.285 1.817 -2.012 0.00 0.00 H+0 HETATM 107 H UNK 0 5.310 2.786 -0.342 0.00 0.00 H+0 HETATM 108 H UNK 0 4.043 4.295 -1.718 0.00 0.00 H+0 HETATM 109 H UNK 0 4.430 3.001 -4.359 0.00 0.00 H+0 HETATM 110 H UNK 0 3.088 3.934 -3.695 0.00 0.00 H+0 HETATM 111 H UNK 0 3.192 2.217 -3.243 0.00 0.00 H+0 HETATM 112 H UNK 0 6.368 3.521 -3.457 0.00 0.00 H+0 HETATM 113 H UNK 0 6.642 4.096 -1.735 0.00 0.00 H+0 HETATM 114 H UNK 0 5.764 5.133 -2.866 0.00 0.00 H+0 CONECT 1 2 55 56 57 CONECT 2 1 3 CONECT 3 2 4 25 58 CONECT 4 3 5 59 CONECT 5 4 6 60 CONECT 6 5 7 61 CONECT 7 6 8 9 CONECT 8 7 62 63 64 CONECT 9 7 10 65 66 CONECT 10 9 11 12 67 CONECT 11 10 68 69 70 CONECT 12 10 13 14 71 CONECT 13 12 72 CONECT 14 12 15 16 73 CONECT 15 14 74 75 76 CONECT 16 14 17 77 CONECT 17 16 18 19 CONECT 18 17 78 79 80 CONECT 19 17 20 81 CONECT 20 19 21 22 CONECT 21 20 82 83 84 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 3 85 CONECT 26 25 27 28 86 CONECT 27 26 87 88 89 CONECT 28 26 29 30 90 CONECT 29 28 91 CONECT 30 28 31 32 92 CONECT 31 30 93 94 95 CONECT 32 30 33 34 54 CONECT 33 32 96 CONECT 34 32 35 97 98 CONECT 35 34 36 48 99 CONECT 36 35 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 100 CONECT 40 39 41 101 CONECT 41 40 42 46 CONECT 42 41 43 102 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 CONECT 46 45 47 41 CONECT 47 46 CONECT 48 35 49 50 103 CONECT 49 48 104 105 106 CONECT 50 48 51 54 107 CONECT 51 50 52 53 108 CONECT 52 51 109 110 111 CONECT 53 51 112 113 114 CONECT 54 50 32 CONECT 55 1 CONECT 56 1 CONECT 57 1 CONECT 58 3 CONECT 59 4 CONECT 60 5 CONECT 61 6 CONECT 62 8 CONECT 63 8 CONECT 64 8 CONECT 65 9 CONECT 66 9 CONECT 67 10 CONECT 68 11 CONECT 69 11 CONECT 70 11 CONECT 71 12 CONECT 72 13 CONECT 73 14 CONECT 74 15 CONECT 75 15 CONECT 76 15 CONECT 77 16 CONECT 78 18 CONECT 79 18 CONECT 80 18 CONECT 81 19 CONECT 82 21 CONECT 83 21 CONECT 84 21 CONECT 85 25 CONECT 86 26 CONECT 87 27 CONECT 88 27 CONECT 89 27 CONECT 90 28 CONECT 91 29 CONECT 92 30 CONECT 93 31 CONECT 94 31 CONECT 95 31 CONECT 96 33 CONECT 97 34 CONECT 98 34 CONECT 99 35 CONECT 100 39 CONECT 101 40 CONECT 102 42 CONECT 103 48 CONECT 104 49 CONECT 105 49 CONECT 106 49 CONECT 107 50 CONECT 108 51 CONECT 109 52 CONECT 110 52 CONECT 111 52 CONECT 112 53 CONECT 113 53 CONECT 114 53 MASTER 0 0 0 0 0 0 0 0 114 0 232 0 END