HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -5.358 -3.354 1.349 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.307 -2.506 0.704 0.00 0.00 C+0 HETATM 3 O UNK 0 -3.472 -3.094 0.006 0.00 0.00 O+0 HETATM 4 N UNK 0 -4.353 -1.071 0.955 0.00 0.00 N+0 HETATM 5 C UNK 0 -4.385 0.204 1.172 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.395 1.181 0.587 0.00 0.00 C+0 HETATM 7 O UNK 0 -2.510 0.548 -0.293 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.203 0.582 0.060 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.345 1.172 -1.052 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.216 1.247 -2.281 0.00 0.00 C+0 HETATM 11 O UNK 0 -0.595 1.739 -3.403 0.00 0.00 O+0 HETATM 12 O UNK 0 0.716 0.291 -1.337 0.00 0.00 O+0 HETATM 13 C UNK 0 1.586 0.252 -0.251 0.00 0.00 C+0 HETATM 14 O UNK 0 2.673 -0.519 -0.569 0.00 0.00 O+0 HETATM 15 C UNK 0 3.892 0.083 -0.718 0.00 0.00 C+0 HETATM 16 C UNK 0 4.527 -0.288 -2.024 0.00 0.00 C+0 HETATM 17 O UNK 0 3.617 -0.964 -2.858 0.00 0.00 O+0 HETATM 18 C UNK 0 5.701 -1.170 -1.689 0.00 0.00 C+0 HETATM 19 N UNK 0 6.965 -0.679 -2.154 0.00 0.00 N+0 HETATM 20 C UNK 0 7.817 -0.525 -1.165 0.00 0.00 C+0 HETATM 21 N UNK 0 9.145 -0.052 -1.351 0.00 0.00 N+0 HETATM 22 O UNK 0 7.212 -0.888 0.027 0.00 0.00 O+0 HETATM 23 C UNK 0 5.882 -1.215 -0.215 0.00 0.00 C+0 HETATM 24 C UNK 0 4.889 -0.212 0.374 0.00 0.00 C+0 HETATM 25 C UNK 0 5.712 1.069 0.585 0.00 0.00 C+0 HETATM 26 O UNK 0 6.648 0.944 1.579 0.00 0.00 O+0 HETATM 27 C UNK 0 0.868 -0.468 0.883 0.00 0.00 C+0 HETATM 28 N UNK 0 1.543 -1.549 1.339 0.00 0.00 N+0 HETATM 29 C UNK 0 2.223 -2.639 1.784 0.00 0.00 C+0 HETATM 30 C UNK 0 2.326 -2.844 3.303 0.00 0.00 C+0 HETATM 31 O UNK 0 2.812 -3.556 1.110 0.00 0.00 O+0 HETATM 32 C UNK 0 -0.565 -0.742 0.469 0.00 0.00 C+0 HETATM 33 O UNK 0 -1.235 -1.277 1.546 0.00 0.00 O+0 HETATM 34 O UNK 0 -3.834 2.406 0.219 0.00 0.00 O+0 HETATM 35 C UNK 0 -5.103 2.636 -0.123 0.00 0.00 C+0 HETATM 36 C UNK 0 -5.354 3.535 -1.307 0.00 0.00 C+0 HETATM 37 O UNK 0 -6.758 3.590 -1.499 0.00 0.00 O+0 HETATM 38 C UNK 0 -5.947 1.385 -0.274 0.00 0.00 C+0 HETATM 39 O UNK 0 -7.296 1.806 -0.400 0.00 0.00 O+0 HETATM 40 C UNK 0 -5.838 0.718 1.095 0.00 0.00 C+0 HETATM 41 O UNK 0 -6.730 -0.347 1.073 0.00 0.00 O+0 HETATM 42 H UNK 0 -5.456 -3.162 2.438 0.00 0.00 H+0 HETATM 43 H UNK 0 -5.116 -4.427 1.222 0.00 0.00 H+0 HETATM 44 H UNK 0 -6.327 -3.122 0.880 0.00 0.00 H+0 HETATM 45 H UNK 0 -3.371 -0.955 0.030 0.00 0.00 H+0 HETATM 46 H UNK 0 -4.207 0.334 2.366 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.676 1.435 1.464 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.072 1.220 0.963 0.00 0.00 H+0 HETATM 49 H UNK 0 0.013 2.155 -0.787 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.157 1.825 -2.047 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.566 0.179 -2.478 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.230 2.388 -3.822 0.00 0.00 H+0 HETATM 53 H UNK 0 1.796 1.317 -0.043 0.00 0.00 H+0 HETATM 54 H UNK 0 3.722 1.180 -0.691 0.00 0.00 H+0 HETATM 55 H UNK 0 4.894 0.585 -2.590 0.00 0.00 H+0 HETATM 56 H UNK 0 4.080 -1.707 -3.332 0.00 0.00 H+0 HETATM 57 H UNK 0 5.565 -2.216 -2.126 0.00 0.00 H+0 HETATM 58 H UNK 0 9.441 0.355 -2.250 0.00 0.00 H+0 HETATM 59 H UNK 0 9.808 -0.129 -0.566 0.00 0.00 H+0 HETATM 60 H UNK 0 5.687 -2.254 0.108 0.00 0.00 H+0 HETATM 61 H UNK 0 4.502 -0.636 1.288 0.00 0.00 H+0 HETATM 62 H UNK 0 5.025 1.916 0.760 0.00 0.00 H+0 HETATM 63 H UNK 0 6.260 1.319 -0.362 0.00 0.00 H+0 HETATM 64 H UNK 0 6.491 1.517 2.381 0.00 0.00 H+0 HETATM 65 H UNK 0 0.779 0.297 1.746 0.00 0.00 H+0 HETATM 66 H UNK 0 1.642 -2.008 0.041 0.00 0.00 H+0 HETATM 67 H UNK 0 1.768 -2.047 3.799 0.00 0.00 H+0 HETATM 68 H UNK 0 3.357 -2.805 3.619 0.00 0.00 H+0 HETATM 69 H UNK 0 1.904 -3.833 3.514 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.578 -1.433 -0.374 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.615 -1.389 2.330 0.00 0.00 H+0 HETATM 72 H UNK 0 -5.593 3.173 0.758 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.896 3.108 -2.213 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.962 4.540 -1.122 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.028 4.531 -1.487 0.00 0.00 H+0 HETATM 76 H UNK 0 -5.636 0.718 -1.071 0.00 0.00 H+0 HETATM 77 H UNK 0 -7.721 1.417 -1.189 0.00 0.00 H+0 HETATM 78 H UNK 0 -6.087 1.410 1.891 0.00 0.00 H+0 HETATM 79 H UNK 0 -7.396 -0.228 0.370 0.00 0.00 H+0 CONECT 1 2 42 43 44 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 45 CONECT 5 4 6 40 46 CONECT 6 5 7 34 47 CONECT 7 6 8 CONECT 8 7 9 32 48 CONECT 9 8 10 12 49 CONECT 10 9 11 50 51 CONECT 11 10 52 CONECT 12 9 13 CONECT 13 12 14 27 53 CONECT 14 13 15 CONECT 15 14 16 24 54 CONECT 16 15 17 18 55 CONECT 17 16 56 CONECT 18 16 19 23 57 CONECT 19 18 20 CONECT 20 19 21 22 CONECT 21 20 58 59 CONECT 22 20 23 CONECT 23 22 24 18 60 CONECT 24 23 25 15 61 CONECT 25 24 26 62 63 CONECT 26 25 64 CONECT 27 13 28 32 65 CONECT 28 27 29 66 CONECT 29 28 30 31 CONECT 30 29 67 68 69 CONECT 31 29 CONECT 32 27 33 8 70 CONECT 33 32 71 CONECT 34 6 35 CONECT 35 34 36 38 72 CONECT 36 35 37 73 74 CONECT 37 36 75 CONECT 38 35 39 40 76 CONECT 39 38 77 CONECT 40 38 41 5 78 CONECT 41 40 79 CONECT 42 1 CONECT 43 1 CONECT 44 1 CONECT 45 4 CONECT 46 5 CONECT 47 6 CONECT 48 8 CONECT 49 9 CONECT 50 10 CONECT 51 10 CONECT 52 11 CONECT 53 13 CONECT 54 15 CONECT 55 16 CONECT 56 17 CONECT 57 18 CONECT 58 21 CONECT 59 21 CONECT 60 23 CONECT 61 24 CONECT 62 25 CONECT 63 25 CONECT 64 26 CONECT 65 27 CONECT 66 28 CONECT 67 30 CONECT 68 30 CONECT 69 30 CONECT 70 32 CONECT 71 33 CONECT 72 35 CONECT 73 36 CONECT 74 36 CONECT 75 37 CONECT 76 38 CONECT 77 39 CONECT 78 40 CONECT 79 41 MASTER 0 0 0 0 0 0 0 0 79 0 164 0 END