HEADER PROTEIN 12-DEC-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 12-DEC-21 0 HETATM 1 C UNK 0 -14.364 -5.482 0.000 0.00 0.00 C+0 HETATM 2 N UNK 0 -13.026 -4.718 0.000 0.00 0.00 N+0 HETATM 3 C UNK 0 -11.697 -5.481 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -11.697 -7.019 0.000 0.00 0.00 C+0 HETATM 5 N UNK 0 -13.021 -7.790 0.000 0.00 0.00 N+0 HETATM 6 C UNK 0 -14.364 -7.030 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 -15.696 -7.794 0.000 0.00 0.00 N+0 HETATM 8 C UNK 0 -17.034 -7.025 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 -17.034 -5.490 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 -15.702 -4.708 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -15.702 -3.162 0.000 0.00 0.00 O+0 HETATM 12 N UNK 0 -18.371 -7.798 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 -10.360 -4.717 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 -9.031 -5.481 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 -7.694 -4.717 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -7.694 -3.170 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.362 -2.403 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.024 -3.168 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.024 -4.710 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -6.357 -5.486 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.696 -2.403 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 -2.367 -3.168 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 -1.030 -2.403 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 0.298 -3.168 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 1.644 -2.403 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 1.644 -0.857 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 2.968 -0.099 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 4.305 -0.863 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 4.305 -2.397 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 2.973 -3.173 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 5.634 -0.099 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 6.971 -0.863 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 8.308 -0.099 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 9.645 -0.863 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 9.645 -2.401 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 8.308 -3.174 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 6.971 -2.401 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 5.634 -3.174 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 5.634 -4.720 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 4.296 -5.469 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 2.872 -4.860 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 1.872 -5.999 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 2.650 -7.336 0.000 0.00 0.00 C+0 HETATM 44 N UNK 0 4.135 -7.002 0.000 0.00 0.00 N+1 HETATM 45 C UNK 0 5.228 -8.086 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 6.716 -7.690 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 7.809 -8.775 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 9.288 -8.379 0.000 0.00 0.00 C+0 HETATM 49 S UNK 0 11.017 -10.108 0.000 0.00 0.00 S+0 HETATM 50 O UNK 0 12.470 -9.086 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 9.546 -10.982 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 12.036 -11.323 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 1.894 -8.673 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 0.356 -8.673 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -0.421 -7.294 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 0.324 -5.999 0.000 0.00 0.00 C+0 HETATM 57 S UNK 0 -1.566 -7.294 0.000 0.00 0.00 S+0 HETATM 58 O UNK 0 -2.792 -7.080 0.000 0.00 0.00 O-1 HETATM 59 O UNK 0 -1.437 -5.882 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 -1.385 -8.957 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 2.477 -3.372 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 4.043 -3.854 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 8.308 1.438 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 9.645 2.211 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 9.645 3.757 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 8.308 4.521 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 8.654 6.056 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 10.146 6.211 0.000 0.00 0.00 C+0 HETATM 69 N UNK 0 10.766 4.782 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 12.262 4.395 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 12.649 2.907 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 14.136 2.504 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 14.540 1.024 0.000 0.00 0.00 C+0 HETATM 74 S UNK 0 16.600 0.828 0.000 0.00 0.00 S+0 HETATM 75 O UNK 0 17.129 -0.755 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 16.157 2.673 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 18.371 1.720 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 10.765 7.582 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 9.876 8.806 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 8.397 8.647 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 7.782 7.275 0.000 0.00 0.00 C+0 HETATM 82 S UNK 0 7.623 9.975 0.000 0.00 0.00 S+0 HETATM 83 O UNK 0 8.394 11.323 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 6.286 10.757 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 6.850 8.646 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 6.971 3.757 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 7.069 5.436 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 -1.030 -0.857 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 -2.367 -0.093 0.000 0.00 0.00 O+0 HETATM 90 O UNK 0 0.298 -0.093 0.000 0.00 0.00 O+0 HETATM 91 O UNK 0 -3.696 -0.857 0.000 0.00 0.00 O+0 CONECT 1 2 6 10 CONECT 2 1 3 CONECT 3 2 4 13 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 1 7 CONECT 7 6 8 CONECT 8 7 9 12 CONECT 9 8 10 CONECT 10 9 1 11 CONECT 11 10 CONECT 12 8 CONECT 13 3 14 CONECT 14 13 15 CONECT 15 14 16 20 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 19 21 CONECT 19 18 20 CONECT 20 19 15 CONECT 21 18 22 91 CONECT 22 21 23 CONECT 23 22 24 88 CONECT 24 23 25 CONECT 25 24 26 30 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 31 CONECT 29 28 30 CONECT 30 29 25 CONECT 31 28 32 CONECT 32 31 33 37 CONECT 33 32 34 63 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 32 38 CONECT 38 37 39 CONECT 39 38 40 CONECT 40 39 41 44 CONECT 41 40 42 61 62 CONECT 42 41 43 56 CONECT 43 42 44 53 CONECT 44 43 40 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 CONECT 48 47 49 CONECT 49 48 50 51 52 CONECT 50 49 CONECT 51 49 CONECT 52 49 CONECT 53 43 54 CONECT 54 53 55 CONECT 55 54 56 57 CONECT 56 55 42 CONECT 57 55 58 59 60 CONECT 58 57 CONECT 59 57 CONECT 60 57 CONECT 61 41 CONECT 62 41 CONECT 63 33 64 CONECT 64 63 65 CONECT 65 64 66 69 CONECT 66 65 67 86 87 CONECT 67 66 68 81 CONECT 68 67 69 78 CONECT 69 68 65 70 CONECT 70 69 71 CONECT 71 70 72 CONECT 72 71 73 CONECT 73 72 74 CONECT 74 73 75 76 77 CONECT 75 74 CONECT 76 74 CONECT 77 74 CONECT 78 68 79 CONECT 79 78 80 CONECT 80 79 81 82 CONECT 81 80 67 CONECT 82 80 83 84 85 CONECT 83 82 CONECT 84 82 CONECT 85 82 CONECT 86 66 CONECT 87 66 CONECT 88 23 89 90 CONECT 89 88 CONECT 90 88 CONECT 91 21 MASTER 0 0 0 0 0 0 0 0 91 0 198 0 END