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 -13.050 -8.042 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -11.538 -8.333 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 -10.530 -7.169 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 -11.034 -5.714 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -12.546 -5.422 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -13.554 -6.587 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -15.067 -6.296 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 -16.075 -7.460 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -15.571 -8.915 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 -17.587 -7.169 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -18.595 -8.333 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -20.107 -8.042 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -20.612 -6.587 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -19.603 -5.422 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -18.091 -5.714 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 -20.107 -3.967 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 -22.124 -6.296 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 -21.116 -9.206 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 -13.661 -4.360 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 -14.025 -2.864 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -15.563 -2.791 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -13.521 -1.408 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -12.311 -0.456 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -10.778 -0.309 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -9.409 -1.014 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.639 -2.348 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -7.142 -1.984 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 -8.712 -3.886 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 -9.604 -5.141 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -8.114 -0.181 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.187 1.357 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -9.556 2.062 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -10.852 1.229 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -12.221 1.934 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 -9.630 3.600 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 -6.892 2.190 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -12.531 1.068 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -13.960 1.640 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -15.171 0.688 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -14.951 -0.836 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -16.601 1.260 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 -14.180 3.165 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 -12.590 2.607 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 -11.034 -9.788 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -9.522 -10.079 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 -8.514 -8.915 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 -9.018 -11.534 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -10.026 -12.698 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -9.522 -14.153 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -8.009 -14.445 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -7.001 -13.280 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -7.505 -11.825 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 -5.489 -13.571 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 -4.481 -12.407 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.985 -10.952 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -3.977 -9.788 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -2.465 -10.079 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -1.960 -11.534 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -2.969 -12.698 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -2.465 -14.153 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 -3.473 -15.318 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 -0.952 -14.445 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 -0.448 -15.900 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 1.064 -16.191 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 1.568 -17.646 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 0.560 -18.810 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -0.952 -18.519 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 -1.456 -17.064 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 -1.960 -19.683 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 -1.456 -21.138 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 1.064 -20.265 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 3.080 -17.937 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 3.435 -16.788 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 4.238 -15.302 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 5.601 -17.064 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 6.609 -15.900 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 6.105 -14.445 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 4.593 -14.153 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 3.584 -15.318 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 4.089 -16.773 0.000 0.00 0.00 O+0 HETATM 81 O UNK 0 2.072 -15.027 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 4.089 -12.698 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 5.097 -11.534 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 6.609 -11.825 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 7.113 -13.280 0.000 0.00 0.00 C+0 HETATM 86 O UNK 0 8.625 -13.571 0.000 0.00 0.00 O+0 HETATM 87 O UNK 0 7.617 -10.661 0.000 0.00 0.00 O+0 HETATM 88 O UNK 0 4.593 -10.079 0.000 0.00 0.00 O+0 HETATM 89 C UNK 0 8.121 -16.191 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 8.625 -17.646 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 7.617 -18.810 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 6.105 -18.519 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 8.121 -20.265 0.000 0.00 0.00 O+0 HETATM 94 O UNK 0 10.138 -17.937 0.000 0.00 0.00 O+0 HETATM 95 O UNK 0 9.129 -15.027 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 -1.456 -8.915 0.000 0.00 0.00 O+0 HETATM 97 O UNK 0 -4.481 -8.333 0.000 0.00 0.00 O+0 HETATM 98 O UNK 0 -6.497 -10.661 0.000 0.00 0.00 O+0 HETATM 99 O UNK 0 -7.505 -15.900 0.000 0.00 0.00 O+0 HETATM 100 O UNK 0 -10.530 -15.318 0.000 0.00 0.00 O+0 HETATM 101 O UNK 0 -14.058 -9.206 0.000 0.00 0.00 O+0 HETATM 102 C UNK 0 -13.554 -10.661 0.000 0.00 0.00 C+0 HETATM 103 O UNK 0 -12.042 -10.952 0.000 0.00 0.00 O+0 HETATM 104 C UNK 0 -14.563 -11.825 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 -14.058 -13.280 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 -15.067 -14.445 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 -16.579 -14.153 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 -17.083 -12.698 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 -16.075 -11.534 0.000 0.00 0.00 C+0 HETATM 110 O UNK 0 -18.595 -12.407 0.000 0.00 0.00 O+0 HETATM 111 O UNK 0 -17.587 -15.318 0.000 0.00 0.00 O+0 HETATM 112 O UNK 0 -14.563 -15.900 0.000 0.00 0.00 O+0 CONECT 1 2 6 101 CONECT 2 1 3 44 CONECT 3 2 4 CONECT 4 3 5 29 CONECT 5 4 6 19 CONECT 6 5 1 7 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 15 CONECT 11 10 12 CONECT 12 11 13 18 CONECT 13 12 14 17 CONECT 14 13 15 16 CONECT 15 14 10 CONECT 16 14 CONECT 17 13 CONECT 18 12 CONECT 19 5 20 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 40 CONECT 23 22 24 37 CONECT 24 23 25 33 CONECT 25 24 26 30 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 CONECT 29 28 4 CONECT 30 25 31 CONECT 31 30 32 36 CONECT 32 31 33 35 CONECT 33 32 24 34 CONECT 34 33 CONECT 35 32 CONECT 36 31 CONECT 37 23 38 43 CONECT 38 37 39 42 CONECT 39 38 40 41 CONECT 40 39 22 CONECT 41 39 CONECT 42 38 CONECT 43 37 CONECT 44 2 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 52 CONECT 48 47 49 CONECT 49 48 50 100 CONECT 50 49 51 99 CONECT 51 50 52 53 CONECT 52 51 47 CONECT 53 51 54 CONECT 54 53 55 59 CONECT 55 54 56 98 CONECT 56 55 57 97 CONECT 57 56 58 96 CONECT 58 57 59 CONECT 59 58 54 60 CONECT 60 59 61 62 CONECT 61 60 CONECT 62 60 63 CONECT 63 62 64 68 CONECT 64 63 65 81 CONECT 65 64 66 72 CONECT 66 65 67 71 CONECT 67 66 68 69 CONECT 68 67 63 CONECT 69 67 70 CONECT 70 69 CONECT 71 66 CONECT 72 65 73 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 92 CONECT 76 75 77 89 CONECT 77 76 78 85 CONECT 78 77 79 82 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 64 CONECT 82 78 83 CONECT 83 82 84 88 CONECT 84 83 85 87 CONECT 85 84 77 86 CONECT 86 85 CONECT 87 84 CONECT 88 83 CONECT 89 76 90 95 CONECT 90 89 91 94 CONECT 91 90 92 93 CONECT 92 91 75 CONECT 93 91 CONECT 94 90 CONECT 95 89 CONECT 96 57 CONECT 97 56 CONECT 98 55 CONECT 99 50 CONECT 100 49 CONECT 101 1 102 CONECT 102 101 103 104 CONECT 103 102 CONECT 104 102 105 109 CONECT 105 104 106 CONECT 106 105 107 112 CONECT 107 106 108 111 CONECT 108 107 109 110 CONECT 109 108 104 CONECT 110 108 CONECT 111 107 CONECT 112 106 MASTER 0 0 0 0 0 0 0 0 112 0 246 0 END