HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 10.813 -0.789 -2.025 0.00 0.00 C+0 HETATM 2 C UNK 0 9.432 -0.519 -1.564 0.00 0.00 C+0 HETATM 3 O UNK 0 8.859 0.571 -1.883 0.00 0.00 O+0 HETATM 4 O UNK 0 8.719 -1.401 -0.793 0.00 0.00 O+0 HETATM 5 C UNK 0 7.354 -1.119 -0.344 0.00 0.00 C+0 HETATM 6 C UNK 0 6.438 -2.159 -0.943 0.00 0.00 C+0 HETATM 7 C UNK 0 7.361 -1.081 1.102 0.00 0.00 C+0 HETATM 8 C UNK 0 6.479 -0.484 1.825 0.00 0.00 C+0 HETATM 9 C UNK 0 5.343 0.242 1.418 0.00 0.00 C+0 HETATM 10 O UNK 0 4.707 0.720 2.476 0.00 0.00 O+0 HETATM 11 N UNK 0 4.733 0.577 0.217 0.00 0.00 N+0 HETATM 12 C UNK 0 3.520 1.393 0.051 0.00 0.00 C+0 HETATM 13 C UNK 0 3.322 2.484 1.001 0.00 0.00 C+0 HETATM 14 C UNK 0 1.970 2.674 1.626 0.00 0.00 C+0 HETATM 15 C UNK 0 1.816 2.014 2.977 0.00 0.00 C+0 HETATM 16 C UNK 0 0.953 2.057 0.666 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.467 2.338 1.072 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.353 1.704 0.091 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.237 0.751 0.361 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.314 0.309 1.774 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.079 0.185 -0.688 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.973 -0.755 -0.509 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.819 -1.315 -1.596 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.531 -0.123 -2.230 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.910 0.068 -1.684 0.00 0.00 C+0 HETATM 26 O UNK 0 -7.844 -0.665 -2.409 0.00 0.00 O+0 HETATM 27 C UNK 0 -7.234 1.559 -1.728 0.00 0.00 C+0 HETATM 28 Cl UNK 0 -7.151 2.128 -3.419 0.00 0.00 Cl+0 HETATM 29 C UNK 0 -6.928 -0.365 -0.231 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.507 -1.791 -0.082 0.00 0.00 C+0 HETATM 31 C UNK 0 -7.731 -2.677 -0.014 0.00 0.00 C+0 HETATM 32 C UNK 0 -8.621 -2.387 1.113 0.00 0.00 C+0 HETATM 33 O UNK 0 -8.350 -1.510 1.953 0.00 0.00 O+0 HETATM 34 O UNK 0 -9.800 -3.122 1.234 0.00 0.00 O+0 HETATM 35 O UNK 0 -5.707 -2.244 -1.110 0.00 0.00 O+0 HETATM 36 O UNK 0 1.250 0.700 0.683 0.00 0.00 O+0 HETATM 37 C UNK 0 2.375 0.461 -0.066 0.00 0.00 C+0 HETATM 38 C UNK 0 2.806 -0.980 0.302 0.00 0.00 C+0 HETATM 39 H UNK 0 11.175 0.072 -2.615 0.00 0.00 H+0 HETATM 40 H UNK 0 10.854 -1.676 -2.707 0.00 0.00 H+0 HETATM 41 H UNK 0 11.524 -0.896 -1.163 0.00 0.00 H+0 HETATM 42 H UNK 0 7.173 -0.133 -0.779 0.00 0.00 H+0 HETATM 43 H UNK 0 5.821 -2.689 -0.213 0.00 0.00 H+0 HETATM 44 H UNK 0 7.051 -2.962 -1.442 0.00 0.00 H+0 HETATM 45 H UNK 0 5.796 -1.760 -1.750 0.00 0.00 H+0 HETATM 46 H UNK 0 8.209 -1.623 1.615 0.00 0.00 H+0 HETATM 47 H UNK 0 6.665 -0.572 2.945 0.00 0.00 H+0 HETATM 48 H UNK 0 5.098 0.252 -0.688 0.00 0.00 H+0 HETATM 49 H UNK 0 3.605 1.904 -0.983 0.00 0.00 H+0 HETATM 50 H UNK 0 4.146 2.677 1.738 0.00 0.00 H+0 HETATM 51 H UNK 0 3.434 3.461 0.371 0.00 0.00 H+0 HETATM 52 H UNK 0 1.743 3.757 1.718 0.00 0.00 H+0 HETATM 53 H UNK 0 1.540 0.965 2.898 0.00 0.00 H+0 HETATM 54 H UNK 0 0.957 2.547 3.473 0.00 0.00 H+0 HETATM 55 H UNK 0 2.705 2.228 3.597 0.00 0.00 H+0 HETATM 56 H UNK 0 1.141 2.439 -0.353 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.604 3.456 0.954 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.683 2.134 2.119 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.282 2.038 -0.933 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.251 0.192 2.145 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.812 1.142 2.331 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.778 -0.661 1.934 0.00 0.00 H+0 HETATM 63 H UNK 0 -2.969 0.559 -1.707 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.094 -1.139 0.493 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.231 -1.793 -2.405 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.957 0.814 -2.055 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.614 -0.241 -3.333 0.00 0.00 H+0 HETATM 68 H UNK 0 -8.624 -0.073 -2.576 0.00 0.00 H+0 HETATM 69 H UNK 0 -8.215 1.782 -1.272 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.471 2.129 -1.167 0.00 0.00 H+0 HETATM 71 H UNK 0 -6.199 0.323 0.289 0.00 0.00 H+0 HETATM 72 H UNK 0 -7.923 -0.117 0.172 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.938 -1.839 0.898 0.00 0.00 H+0 HETATM 74 H UNK 0 -7.374 -3.735 -0.042 0.00 0.00 H+0 HETATM 75 H UNK 0 -8.277 -2.506 -0.985 0.00 0.00 H+0 HETATM 76 H UNK 0 -10.663 -2.781 0.870 0.00 0.00 H+0 HETATM 77 H UNK 0 2.025 0.360 -1.145 0.00 0.00 H+0 HETATM 78 H UNK 0 3.748 -1.187 -0.227 0.00 0.00 H+0 HETATM 79 H UNK 0 2.865 -1.107 1.400 0.00 0.00 H+0 HETATM 80 H UNK 0 1.992 -1.678 -0.043 0.00 0.00 H+0 CONECT 1 2 39 40 41 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 7 42 CONECT 6 5 43 44 45 CONECT 7 5 8 46 CONECT 8 7 9 47 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 48 CONECT 12 11 13 37 49 CONECT 13 12 14 50 51 CONECT 14 13 15 16 52 CONECT 15 14 53 54 55 CONECT 16 14 17 36 56 CONECT 17 16 18 57 58 CONECT 18 17 19 59 CONECT 19 18 20 21 CONECT 20 19 60 61 62 CONECT 21 19 22 63 CONECT 22 21 23 64 CONECT 23 22 24 35 65 CONECT 24 23 25 66 67 CONECT 25 24 26 27 29 CONECT 26 25 68 CONECT 27 25 28 69 70 CONECT 28 27 CONECT 29 25 30 71 72 CONECT 30 29 31 35 73 CONECT 31 30 32 74 75 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 76 CONECT 35 30 23 CONECT 36 16 37 CONECT 37 36 38 12 77 CONECT 38 37 78 79 80 CONECT 39 1 CONECT 40 1 CONECT 41 1 CONECT 42 5 CONECT 43 6 CONECT 44 6 CONECT 45 6 CONECT 46 7 CONECT 47 8 CONECT 48 11 CONECT 49 12 CONECT 50 13 CONECT 51 13 CONECT 52 14 CONECT 53 15 CONECT 54 15 CONECT 55 15 CONECT 56 16 CONECT 57 17 CONECT 58 17 CONECT 59 18 CONECT 60 20 CONECT 61 20 CONECT 62 20 CONECT 63 21 CONECT 64 22 CONECT 65 23 CONECT 66 24 CONECT 67 24 CONECT 68 26 CONECT 69 27 CONECT 70 27 CONECT 71 29 CONECT 72 29 CONECT 73 30 CONECT 74 31 CONECT 75 31 CONECT 76 34 CONECT 77 37 CONECT 78 38 CONECT 79 38 CONECT 80 38 MASTER 0 0 0 0 0 0 0 0 80 0 162 0 END