HEADER PROTEIN 28-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 28-APR-22 0 HETATM 1 C UNK 0 5.846 3.104 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 3.983 2.819 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 3.207 1.489 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 4.650 1.200 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 5.487 2.492 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 6.287 1.475 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 5.245 4.013 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 6.617 4.713 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 6.776 6.245 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 7.863 3.705 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 7.025 2.413 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 7.726 1.042 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 9.401 3.626 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 10.238 4.919 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 10.101 2.255 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 9.264 0.962 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 10.449 0.029 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 9.127 -1.701 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 7.442 -1.688 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 6.246 -2.658 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 4.953 -1.821 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 5.351 -0.333 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 3.516 -2.374 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 6.328 -4.196 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 5.037 -5.036 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 5.119 -6.574 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 3.828 -7.414 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 2.456 -6.716 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 2.373 -5.178 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 3.664 -4.338 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 1.001 -4.480 0.000 0.00 0.00 C+0 HETATM 32 N UNK 0 1.165 -7.556 0.000 0.00 0.00 N+0 HETATM 33 C UNK 0 -0.208 -6.858 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -0.290 -5.320 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 -1.499 -7.698 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -2.872 -7.000 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 4.623 -8.733 0.000 0.00 0.00 C+0 HETATM 38 N UNK 0 3.179 -8.810 0.000 0.00 0.00 N+1 HETATM 39 O UNK 0 1.645 -8.946 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 4.063 -10.071 0.000 0.00 0.00 O-1 HETATM 41 C UNK 0 11.987 -0.051 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 9.964 -0.409 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 11.502 -0.488 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 12.340 0.804 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 11.639 2.176 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 12.477 3.468 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 14.015 3.389 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 14.715 2.017 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 13.878 0.725 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 14.578 -0.646 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 16.116 -0.726 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 16.954 0.567 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 18.492 0.488 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 19.192 -0.884 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 18.355 -2.176 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 16.817 -2.097 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 19.055 -3.548 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 18.218 -4.840 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 18.918 -6.212 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 18.080 -7.504 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 16.542 -7.425 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 15.842 -6.053 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 16.680 -4.761 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 15.705 -8.717 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 16.405 -10.089 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 17.943 -10.168 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 18.644 -11.539 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 17.806 -12.832 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 16.268 -12.752 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 15.568 -11.381 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 15.431 -14.045 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 18.507 -14.203 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 20.182 -11.618 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 18.781 -8.875 0.000 0.00 0.00 C+0 HETATM 75 O UNK 0 20.730 -0.963 0.000 0.00 0.00 O+0 HETATM 76 C UNK 0 21.568 0.329 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 20.867 1.701 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 23.106 0.250 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 19.329 1.780 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 16.253 1.938 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 11.776 4.839 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 10.939 3.547 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 1.802 0.857 0.000 0.00 0.00 O+0 HETATM 84 C UNK 0 6.298 4.142 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 5.534 5.480 0.000 0.00 0.00 O+0 CONECT 1 2 6 84 CONECT 2 1 3 CONECT 3 2 4 83 CONECT 4 3 5 22 CONECT 5 4 6 7 11 CONECT 6 5 1 CONECT 7 5 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 13 CONECT 11 10 5 12 CONECT 12 11 CONECT 13 10 14 15 CONECT 14 13 CONECT 15 13 16 45 82 CONECT 16 15 17 42 CONECT 17 16 18 41 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 24 CONECT 21 20 22 23 CONECT 22 21 4 CONECT 23 21 CONECT 24 20 25 CONECT 25 24 26 30 CONECT 26 25 27 CONECT 27 26 28 37 38 CONECT 28 27 29 32 CONECT 29 28 30 31 CONECT 30 29 25 CONECT 31 29 CONECT 32 28 33 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 CONECT 36 35 CONECT 37 27 CONECT 38 27 39 40 CONECT 39 38 CONECT 40 38 CONECT 41 17 CONECT 42 16 43 CONECT 43 42 44 CONECT 44 43 45 49 CONECT 45 44 15 46 CONECT 46 45 47 81 CONECT 47 46 48 CONECT 48 47 49 80 CONECT 49 48 44 50 CONECT 50 49 51 CONECT 51 50 52 56 CONECT 52 51 53 CONECT 53 52 54 79 CONECT 54 53 55 75 CONECT 55 54 56 57 CONECT 56 55 51 CONECT 57 55 58 CONECT 58 57 59 63 CONECT 59 58 60 CONECT 60 59 61 74 CONECT 61 60 62 64 CONECT 62 61 63 CONECT 63 62 58 CONECT 64 61 65 CONECT 65 64 66 70 CONECT 66 65 67 CONECT 67 66 68 73 CONECT 68 67 69 72 CONECT 69 68 70 71 CONECT 70 69 65 CONECT 71 69 CONECT 72 68 CONECT 73 67 CONECT 74 60 CONECT 75 54 76 CONECT 76 75 77 78 CONECT 77 76 CONECT 78 76 CONECT 79 53 CONECT 80 48 CONECT 81 46 CONECT 82 15 CONECT 83 3 CONECT 84 1 85 CONECT 85 84 MASTER 0 0 0 0 0 0 0 0 85 0 186 0 END