HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -3.403 4.345 -3.511 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.847 3.847 -3.611 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.623 4.707 -4.611 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.924 2.365 -4.023 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.315 1.438 -3.008 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.296 0.603 -3.273 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.681 -0.334 -2.249 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.946 -1.768 -2.711 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.174 -0.016 -2.067 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.943 1.453 -1.598 0.00 0.00 C+0 HETATM 11 C UNK 0 0.345 1.461 -0.763 0.00 0.00 C+0 HETATM 12 C UNK 0 0.924 0.068 -0.971 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.331 -0.842 -1.044 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.105 -0.994 0.286 0.00 0.00 C+0 HETATM 15 C UNK 0 0.163 -2.213 -1.538 0.00 0.00 C+0 HETATM 16 C UNK 0 1.222 -2.807 -0.596 0.00 0.00 C+0 HETATM 17 C UNK 0 2.428 -1.872 -0.331 0.00 0.00 C+0 HETATM 18 C UNK 0 2.047 -0.408 -0.044 0.00 0.00 C+0 HETATM 19 C UNK 0 3.301 0.489 -0.219 0.00 0.00 C+0 HETATM 20 C UNK 0 4.410 0.137 0.781 0.00 0.00 C+0 HETATM 21 O UNK 0 4.133 0.798 2.021 0.00 0.00 O+0 HETATM 22 C UNK 0 4.586 -1.404 0.939 0.00 0.00 C+0 HETATM 23 O UNK 0 5.291 -1.861 -0.238 0.00 0.00 O+0 HETATM 24 C UNK 0 5.449 -1.740 2.170 0.00 0.00 C+0 HETATM 25 C UNK 0 5.654 -3.247 2.329 0.00 0.00 C+0 HETATM 26 O UNK 0 6.386 -3.486 3.519 0.00 0.00 O+0 HETATM 27 S UNK 0 7.943 -3.952 3.368 0.00 0.00 S+0 HETATM 28 O UNK 0 8.518 -2.954 2.468 0.00 0.00 O+0 HETATM 29 O UNK 0 8.447 -3.904 4.735 0.00 0.00 O+0 HETATM 30 O UNK 0 7.840 -5.292 2.797 0.00 0.00 O-1 HETATM 31 C UNK 0 4.309 -3.957 2.437 0.00 0.00 C+0 HETATM 32 C UNK 0 3.435 -3.680 1.217 0.00 0.00 C+0 HETATM 33 C UNK 0 3.210 -2.175 0.967 0.00 0.00 C+0 HETATM 34 C UNK 0 2.257 -1.547 1.994 0.00 0.00 C+0 HETATM 35 O UNK 0 1.682 -0.376 1.355 0.00 0.00 O+0 HETATM 36 Na UNK 0 8.765 7.301 -2.716 0.00 0.00 Na+1 HETATM 37 H UNK 0 -2.868 4.204 -4.456 0.00 0.00 H+0 HETATM 38 H UNK 0 -3.377 5.412 -3.264 0.00 0.00 H+0 HETATM 39 H UNK 0 -2.853 3.816 -2.726 0.00 0.00 H+0 HETATM 40 H UNK 0 -5.319 3.969 -2.627 0.00 0.00 H+0 HETATM 41 H UNK 0 -6.670 4.391 -4.666 0.00 0.00 H+0 HETATM 42 H UNK 0 -5.608 5.760 -4.313 0.00 0.00 H+0 HETATM 43 H UNK 0 -5.193 4.633 -5.616 0.00 0.00 H+0 HETATM 44 H UNK 0 -5.976 2.077 -4.143 0.00 0.00 H+0 HETATM 45 H UNK 0 -4.451 2.229 -5.004 0.00 0.00 H+0 HETATM 46 H UNK 0 -4.747 1.459 -2.010 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.867 0.580 -4.273 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.196 -0.192 -1.291 0.00 0.00 H+0 HETATM 49 H UNK 0 -2.761 -2.483 -1.906 0.00 0.00 H+0 HETATM 50 H UNK 0 -3.992 -1.903 -3.009 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.317 -2.039 -3.566 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.694 -0.118 -3.054 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.845 2.116 -2.465 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.775 1.827 -0.990 0.00 0.00 H+0 HETATM 55 H UNK 0 0.118 1.654 0.292 0.00 0.00 H+0 HETATM 56 H UNK 0 1.026 2.247 -1.103 0.00 0.00 H+0 HETATM 57 H UNK 0 1.371 0.078 -1.980 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.967 -1.658 0.160 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.504 -1.430 1.085 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.486 -0.040 0.661 0.00 0.00 H+0 HETATM 61 H UNK 0 0.593 -2.123 -2.543 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.661 -2.927 -1.619 0.00 0.00 H+0 HETATM 63 H UNK 0 0.730 -3.102 0.336 0.00 0.00 H+0 HETATM 64 H UNK 0 1.593 -3.741 -1.036 0.00 0.00 H+0 HETATM 65 H UNK 0 3.061 -1.933 -1.225 0.00 0.00 H+0 HETATM 66 H UNK 0 3.029 1.541 -0.071 0.00 0.00 H+0 HETATM 67 H UNK 0 3.683 0.387 -1.242 0.00 0.00 H+0 HETATM 68 H UNK 0 5.348 0.572 0.415 0.00 0.00 H+0 HETATM 69 H UNK 0 3.166 0.770 2.156 0.00 0.00 H+0 HETATM 70 H UNK 0 6.249 -1.747 -0.076 0.00 0.00 H+0 HETATM 71 H UNK 0 6.432 -1.258 2.081 0.00 0.00 H+0 HETATM 72 H UNK 0 5.010 -1.338 3.091 0.00 0.00 H+0 HETATM 73 H UNK 0 6.186 -3.647 1.456 0.00 0.00 H+0 HETATM 74 H UNK 0 4.472 -5.037 2.539 0.00 0.00 H+0 HETATM 75 H UNK 0 3.792 -3.649 3.355 0.00 0.00 H+0 HETATM 76 H UNK 0 3.904 -4.131 0.334 0.00 0.00 H+0 HETATM 77 H UNK 0 2.482 -4.202 1.360 0.00 0.00 H+0 HETATM 78 H UNK 0 1.428 -2.212 2.259 0.00 0.00 H+0 HETATM 79 H UNK 0 2.732 -1.251 2.933 0.00 0.00 H+0 CONECT 1 2 37 38 39 CONECT 2 4 1 3 40 CONECT 3 2 41 42 43 CONECT 4 5 2 44 45 CONECT 5 6 4 46 CONECT 6 7 5 47 CONECT 7 9 6 8 48 CONECT 8 7 49 50 51 CONECT 9 7 10 13 52 CONECT 10 11 9 53 54 CONECT 11 12 10 55 56 CONECT 12 18 13 57 11 CONECT 13 14 15 12 9 CONECT 14 13 58 59 60 CONECT 15 13 16 61 62 CONECT 16 17 15 63 64 CONECT 17 18 16 65 33 CONECT 18 19 17 12 35 CONECT 19 20 18 66 67 CONECT 20 19 21 22 68 CONECT 21 20 69 CONECT 22 24 33 23 20 CONECT 23 22 70 CONECT 24 22 25 71 72 CONECT 25 26 31 24 73 CONECT 26 25 27 CONECT 27 26 30 28 29 CONECT 28 27 CONECT 29 27 CONECT 30 27 CONECT 31 25 32 74 75 CONECT 32 33 31 76 77 CONECT 33 32 22 17 34 CONECT 34 33 35 78 79 CONECT 35 18 34 CONECT 37 1 CONECT 38 1 CONECT 39 1 CONECT 40 2 CONECT 41 3 CONECT 42 3 CONECT 43 3 CONECT 44 4 CONECT 45 4 CONECT 46 5 CONECT 47 6 CONECT 48 7 CONECT 49 8 CONECT 50 8 CONECT 51 8 CONECT 52 9 CONECT 53 10 CONECT 54 10 CONECT 55 11 CONECT 56 11 CONECT 57 12 CONECT 58 14 CONECT 59 14 CONECT 60 14 CONECT 61 15 CONECT 62 15 CONECT 63 16 CONECT 64 16 CONECT 65 17 CONECT 66 19 CONECT 67 19 CONECT 68 20 CONECT 69 21 CONECT 70 23 CONECT 71 24 CONECT 72 24 CONECT 73 25 CONECT 74 31 CONECT 75 31 CONECT 76 32 CONECT 77 32 CONECT 78 34 CONECT 79 34 MASTER 0 0 0 0 0 0 0 0 79 0 164 0 END