HEADER PROTEIN 23-JAN-24 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-JAN-24 0 HETATM 1 O UNK 0 3.397 6.878 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 1.561 6.157 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 0.590 7.415 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 2.101 7.716 0.000 0.00 0.00 H+0 HETATM 5 H UNK 0 0.993 8.902 0.000 0.00 0.00 H+0 HETATM 6 H UNK 0 -0.562 8.437 0.000 0.00 0.00 H+0 HETATM 7 O UNK 0 0.884 4.482 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.300 3.522 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.971 4.725 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 0.457 5.481 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 1.817 4.644 0.000 0.00 0.00 C+0 HETATM 12 H UNK 0 3.316 4.293 0.000 0.00 0.00 H+0 HETATM 13 O UNK 0 2.505 6.481 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 2.792 8.278 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 3.994 9.520 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 5.589 9.760 0.000 0.00 0.00 C+0 HETATM 17 H UNK 0 5.819 8.238 0.000 0.00 0.00 H+0 HETATM 18 H UNK 0 7.112 9.990 0.000 0.00 0.00 H+0 HETATM 19 H UNK 0 5.359 11.283 0.000 0.00 0.00 H+0 HETATM 20 C UNK 0 4.181 11.116 0.000 0.00 0.00 C+0 HETATM 21 H UNK 0 4.561 12.608 0.000 0.00 0.00 H+0 HETATM 22 C UNK 0 2.946 12.035 0.000 0.00 0.00 C+0 HETATM 23 H UNK 0 2.799 13.568 0.000 0.00 0.00 H+0 HETATM 24 H UNK 0 1.423 12.265 0.000 0.00 0.00 H+0 HETATM 25 H UNK 0 2.353 10.614 0.000 0.00 0.00 H+0 HETATM 26 O UNK 0 2.142 9.854 0.000 0.00 0.00 O+0 HETATM 27 H UNK 0 0.730 6.996 0.000 0.00 0.00 H+0 HETATM 28 O UNK 0 -0.661 6.908 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 -2.224 7.588 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.735 8.139 0.000 0.00 0.00 C+0 HETATM 31 H UNK 0 -4.545 9.448 0.000 0.00 0.00 H+0 HETATM 32 H UNK 0 -5.226 7.753 0.000 0.00 0.00 H+0 HETATM 33 H UNK 0 -3.809 6.601 0.000 0.00 0.00 H+0 HETATM 34 O UNK 0 -2.880 9.123 0.000 0.00 0.00 O+0 HETATM 35 H UNK 0 -1.867 5.977 0.000 0.00 0.00 H+0 HETATM 36 C UNK 0 -2.145 3.618 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.761 3.269 0.000 0.00 0.00 C+0 HETATM 38 H UNK 0 -5.158 3.916 0.000 0.00 0.00 H+0 HETATM 39 H UNK 0 -4.802 2.134 0.000 0.00 0.00 H+0 HETATM 40 H UNK 0 -2.995 1.933 0.000 0.00 0.00 H+0 HETATM 41 C UNK 0 -3.628 4.324 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 -2.289 5.086 0.000 0.00 0.00 H+0 HETATM 43 H UNK 0 -3.487 5.858 0.000 0.00 0.00 H+0 HETATM 44 H UNK 0 -4.805 5.318 0.000 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.694 2.868 0.000 0.00 0.00 H+0 HETATM 46 C UNK 0 0.191 2.253 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 1.654 3.029 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 3.809 3.134 0.000 0.00 0.00 C+0 HETATM 49 H UNK 0 4.386 4.562 0.000 0.00 0.00 H+0 HETATM 50 H UNK 0 2.504 3.952 0.000 0.00 0.00 H+0 HETATM 51 O UNK 0 5.654 2.462 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 7.662 2.529 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 9.330 2.115 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 10.637 1.178 0.000 0.00 0.00 C+0 HETATM 55 H UNK 0 9.741 -0.074 0.000 0.00 0.00 H+0 HETATM 56 H UNK 0 11.889 0.281 0.000 0.00 0.00 H+0 HETATM 57 H UNK 0 11.534 2.430 0.000 0.00 0.00 H+0 HETATM 58 H UNK 0 8.684 0.717 0.000 0.00 0.00 H+0 HETATM 59 C UNK 0 10.688 3.134 0.000 0.00 0.00 C+0 HETATM 60 H UNK 0 10.840 4.666 0.000 0.00 0.00 H+0 HETATM 61 H UNK 0 9.647 4.269 0.000 0.00 0.00 H+0 HETATM 62 C UNK 0 12.336 3.132 0.000 0.00 0.00 C+0 HETATM 63 H UNK 0 13.127 1.811 0.000 0.00 0.00 H+0 HETATM 64 H UNK 0 13.778 3.674 0.000 0.00 0.00 H+0 HETATM 65 H UNK 0 12.062 4.648 0.000 0.00 0.00 H+0 HETATM 66 O UNK 0 8.389 4.082 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 3.016 2.275 0.000 0.00 0.00 C+0 HETATM 68 H UNK 0 4.414 1.629 0.000 0.00 0.00 H+0 HETATM 69 O UNK 0 4.331 3.355 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 5.794 4.331 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 6.678 5.754 0.000 0.00 0.00 C+0 HETATM 72 H UNK 0 7.986 4.942 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 7.490 7.063 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 5.370 6.567 0.000 0.00 0.00 H+0 HETATM 75 O UNK 0 6.712 3.087 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 -1.483 2.134 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 0.355 0.663 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -0.929 -0.315 0.000 0.00 0.00 C+0 HETATM 79 H UNK 0 -2.447 -0.056 0.000 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.556 -1.721 0.000 0.00 0.00 H+0 HETATM 81 H UNK 0 0.279 -1.270 0.000 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.058 1.275 0.000 0.00 0.00 H+0 HETATM 83 C UNK 0 1.722 -0.080 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 0.801 -1.516 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 -0.285 -2.783 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -0.559 -4.337 0.000 0.00 0.00 C+0 HETATM 87 H UNK 0 -1.749 -5.315 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 0.041 -5.755 0.000 0.00 0.00 H+0 HETATM 89 H UNK 0 0.971 -4.164 0.000 0.00 0.00 H+0 HETATM 90 O UNK 0 -1.730 -3.544 0.000 0.00 0.00 O+0 HETATM 91 H UNK 0 2.801 -1.179 0.000 0.00 0.00 H+0 HETATM 92 C UNK 0 3.042 0.733 0.000 0.00 0.00 C+0 HETATM 93 H UNK 0 1.692 1.473 0.000 0.00 0.00 H+0 HETATM 94 O UNK 0 3.540 -0.929 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 4.013 -2.501 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 5.546 -2.903 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 5.627 -4.441 0.000 0.00 0.00 C+0 HETATM 98 H UNK 0 4.335 -5.279 0.000 0.00 0.00 H+0 HETATM 99 C UNK 0 6.999 -5.140 0.000 0.00 0.00 C+0 HETATM 100 H UNK 0 7.079 -6.678 0.000 0.00 0.00 H+0 HETATM 101 C UNK 0 6.838 -2.064 0.000 0.00 0.00 C+0 HETATM 102 H UNK 0 6.757 -0.526 0.000 0.00 0.00 H+0 HETATM 103 N UNK 0 8.210 -2.763 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 9.501 -1.925 0.000 0.00 0.00 C+0 HETATM 105 H UNK 0 10.340 -3.217 0.000 0.00 0.00 H+0 HETATM 106 H UNK 0 10.793 -1.086 0.000 0.00 0.00 H+0 HETATM 107 H UNK 0 8.663 -0.633 0.000 0.00 0.00 H+0 HETATM 108 C UNK 0 8.290 -4.301 0.000 0.00 0.00 C+0 HETATM 109 O UNK 0 9.662 -5.001 0.000 0.00 0.00 O+0 HETATM 110 O UNK 0 3.303 -4.003 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 7 CONECT 3 2 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 2 8 CONECT 8 7 9 45 46 CONECT 9 8 10 35 36 CONECT 10 9 11 27 28 CONECT 11 10 12 13 47 CONECT 12 11 CONECT 13 11 14 CONECT 14 13 15 26 CONECT 15 14 16 20 CONECT 16 15 17 18 19 CONECT 17 16 CONECT 18 16 CONECT 19 16 CONECT 20 15 21 22 CONECT 21 20 CONECT 22 20 23 24 25 CONECT 23 22 CONECT 24 22 CONECT 25 22 CONECT 26 14 CONECT 27 10 CONECT 28 10 29 CONECT 29 28 30 34 CONECT 30 29 31 32 33 CONECT 31 30 CONECT 32 30 CONECT 33 30 CONECT 34 29 CONECT 35 9 CONECT 36 9 37 41 76 CONECT 37 36 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 CONECT 41 36 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 CONECT 45 8 CONECT 46 8 47 76 77 CONECT 47 46 11 48 67 CONECT 48 47 49 50 51 CONECT 49 48 CONECT 50 48 CONECT 51 48 52 CONECT 52 51 53 66 CONECT 53 52 54 58 59 CONECT 54 53 55 56 57 CONECT 55 54 CONECT 56 54 CONECT 57 54 CONECT 58 53 CONECT 59 53 60 61 62 CONECT 60 59 CONECT 61 59 CONECT 62 59 63 64 65 CONECT 63 62 CONECT 64 62 CONECT 65 62 CONECT 66 52 CONECT 67 47 68 69 92 CONECT 68 67 CONECT 69 67 70 CONECT 70 69 71 75 CONECT 71 70 72 73 74 CONECT 72 71 CONECT 73 71 CONECT 74 71 CONECT 75 70 CONECT 76 46 36 CONECT 77 46 78 82 83 CONECT 78 77 79 80 81 CONECT 79 78 CONECT 80 78 CONECT 81 78 CONECT 82 77 CONECT 83 77 84 91 92 CONECT 84 83 85 CONECT 85 84 86 90 CONECT 86 85 87 88 89 CONECT 87 86 CONECT 88 86 CONECT 89 86 CONECT 90 85 CONECT 91 83 CONECT 92 83 67 93 94 CONECT 93 92 CONECT 94 92 95 CONECT 95 94 96 110 CONECT 96 95 97 101 CONECT 97 96 98 99 CONECT 98 97 CONECT 99 97 100 108 CONECT 100 99 CONECT 101 96 102 103 CONECT 102 101 CONECT 103 101 104 108 CONECT 104 103 105 106 107 CONECT 105 104 CONECT 106 104 CONECT 107 104 CONECT 108 103 99 109 CONECT 109 108 CONECT 110 95 MASTER 0 0 0 0 0 0 0 0 110 0 226 0 END