HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -5.650 -3.958 1.163 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.556 -3.558 2.325 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.682 -2.721 1.855 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.933 -1.476 2.239 0.00 0.00 C+0 HETATM 5 C UNK 0 -9.069 -0.696 1.739 0.00 0.00 C+0 HETATM 6 O UNK 0 -9.639 -1.316 0.575 0.00 0.00 O+0 HETATM 7 C UNK 0 -10.978 -1.701 0.580 0.00 0.00 C+0 HETATM 8 N UNK 0 -11.576 -2.300 -0.558 0.00 0.00 N+0 HETATM 9 O UNK 0 -11.653 -1.508 1.604 0.00 0.00 O+0 HETATM 10 C UNK 0 -8.751 0.731 1.446 0.00 0.00 C+0 HETATM 11 Cl UNK 0 -10.333 1.457 0.901 0.00 0.00 Cl+0 HETATM 12 C UNK 0 -7.728 1.003 0.381 0.00 0.00 C+0 HETATM 13 O UNK 0 -8.226 0.341 -0.765 0.00 0.00 O+0 HETATM 14 C UNK 0 -6.375 0.634 0.707 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.290 0.935 -0.288 0.00 0.00 C+0 HETATM 16 O UNK 0 -4.164 0.671 0.152 0.00 0.00 O+0 HETATM 17 C UNK 0 -5.416 1.475 -1.641 0.00 0.00 C+0 HETATM 18 O UNK 0 -6.824 1.809 -1.836 0.00 0.00 O+0 HETATM 19 C UNK 0 -4.648 2.713 -1.906 0.00 0.00 C+0 HETATM 20 O UNK 0 -4.807 3.653 -0.894 0.00 0.00 O+0 HETATM 21 C UNK 0 -3.407 2.772 -2.643 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.986 4.279 -2.698 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.238 1.946 -2.329 0.00 0.00 C+0 HETATM 24 Cl UNK 0 -2.317 0.206 -2.337 0.00 0.00 Cl+0 HETATM 25 C UNK 0 -1.047 2.486 -2.098 0.00 0.00 C+0 HETATM 26 C UNK 0 0.149 1.775 -1.787 0.00 0.00 C+0 HETATM 27 C UNK 0 1.281 2.466 -1.587 0.00 0.00 C+0 HETATM 28 C UNK 0 2.495 1.759 -1.270 0.00 0.00 C+0 HETATM 29 C UNK 0 3.634 2.508 -1.081 0.00 0.00 C+0 HETATM 30 C UNK 0 3.435 3.934 -1.229 0.00 0.00 C+0 HETATM 31 C UNK 0 4.786 1.778 -0.808 0.00 0.00 C+0 HETATM 32 C UNK 0 6.152 2.611 -0.607 0.00 0.00 C+0 HETATM 33 C UNK 0 7.013 1.488 -0.366 0.00 0.00 C+0 HETATM 34 C UNK 0 8.344 1.795 -0.171 0.00 0.00 C+0 HETATM 35 C UNK 0 9.373 0.838 0.099 0.00 0.00 C+0 HETATM 36 O UNK 0 10.602 1.232 0.186 0.00 0.00 O+0 HETATM 37 O UNK 0 9.224 -0.522 0.303 0.00 0.00 O+0 HETATM 38 C UNK 0 10.352 -1.357 0.569 0.00 0.00 C+0 HETATM 39 C UNK 0 10.181 -2.669 -0.055 0.00 0.00 C+0 HETATM 40 C UNK 0 9.762 -3.761 0.891 0.00 0.00 C+0 HETATM 41 C UNK 0 10.928 -4.540 1.346 0.00 0.00 C+0 HETATM 42 O UNK 0 12.040 -4.301 0.736 0.00 0.00 O+0 HETATM 43 O UNK 0 10.931 -5.468 2.337 0.00 0.00 O+0 HETATM 44 C UNK 0 8.860 -3.350 2.004 0.00 0.00 C+0 HETATM 45 C UNK 0 9.053 -1.972 2.529 0.00 0.00 C+0 HETATM 46 C UNK 0 10.431 -1.508 2.124 0.00 0.00 C+0 HETATM 47 O UNK 0 10.737 -0.254 2.657 0.00 0.00 O+0 HETATM 48 H UNK 0 -4.966 -4.777 1.474 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.269 -4.345 0.328 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.035 -3.094 0.865 0.00 0.00 H+0 HETATM 51 H UNK 0 -5.980 -3.104 3.153 0.00 0.00 H+0 HETATM 52 H UNK 0 -6.992 -4.519 2.750 0.00 0.00 H+0 HETATM 53 H UNK 0 -8.386 -3.132 1.141 0.00 0.00 H+0 HETATM 54 H UNK 0 -7.260 -1.028 2.962 0.00 0.00 H+0 HETATM 55 H UNK 0 -9.915 -0.680 2.499 0.00 0.00 H+0 HETATM 56 H UNK 0 -11.112 -2.193 -1.473 0.00 0.00 H+0 HETATM 57 H UNK 0 -12.459 -2.828 -0.457 0.00 0.00 H+0 HETATM 58 H UNK 0 -8.529 1.228 2.403 0.00 0.00 H+0 HETATM 59 H UNK 0 -7.850 2.130 0.190 0.00 0.00 H+0 HETATM 60 H UNK 0 -7.855 -0.561 -0.879 0.00 0.00 H+0 HETATM 61 H UNK 0 -6.051 1.050 1.716 0.00 0.00 H+0 HETATM 62 H UNK 0 -6.293 -0.475 0.857 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.228 0.678 -2.378 0.00 0.00 H+0 HETATM 64 H UNK 0 -6.973 1.712 -2.829 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.415 3.272 -2.708 0.00 0.00 H+0 HETATM 66 H UNK 0 -5.771 3.800 -0.728 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.594 2.574 -3.766 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.641 4.576 -1.724 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.903 4.816 -3.045 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.196 4.330 -3.454 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.022 3.580 -2.167 0.00 0.00 H+0 HETATM 72 H UNK 0 0.214 0.714 -1.700 0.00 0.00 H+0 HETATM 73 H UNK 0 1.195 3.529 -1.689 0.00 0.00 H+0 HETATM 74 H UNK 0 2.543 0.706 -1.174 0.00 0.00 H+0 HETATM 75 H UNK 0 4.305 4.535 -0.951 0.00 0.00 H+0 HETATM 76 H UNK 0 2.611 4.258 -0.499 0.00 0.00 H+0 HETATM 77 H UNK 0 3.068 4.181 -2.266 0.00 0.00 H+0 HETATM 78 H UNK 0 4.945 0.787 -0.716 0.00 0.00 H+0 HETATM 79 H UNK 0 5.588 3.353 -0.766 0.00 0.00 H+0 HETATM 80 H UNK 0 6.843 0.464 -0.298 0.00 0.00 H+0 HETATM 81 H UNK 0 8.545 2.865 -0.241 0.00 0.00 H+0 HETATM 82 H UNK 0 11.261 -0.761 0.336 0.00 0.00 H+0 HETATM 83 H UNK 0 9.534 -2.687 -0.962 0.00 0.00 H+0 HETATM 84 H UNK 0 11.193 -2.995 -0.465 0.00 0.00 H+0 HETATM 85 H UNK 0 9.156 -4.500 0.277 0.00 0.00 H+0 HETATM 86 H UNK 0 10.985 -5.128 3.307 0.00 0.00 H+0 HETATM 87 H UNK 0 7.786 -3.519 1.781 0.00 0.00 H+0 HETATM 88 H UNK 0 9.048 -4.073 2.863 0.00 0.00 H+0 HETATM 89 H UNK 0 8.953 -1.868 3.632 0.00 0.00 H+0 HETATM 90 H UNK 0 8.299 -1.313 1.996 0.00 0.00 H+0 HETATM 91 H UNK 0 11.238 -2.194 2.341 0.00 0.00 H+0 HETATM 92 H UNK 0 9.913 0.279 2.806 0.00 0.00 H+0 CONECT 1 2 48 49 50 CONECT 2 1 3 51 52 CONECT 3 2 4 53 CONECT 4 3 5 54 CONECT 5 4 6 10 55 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 56 57 CONECT 9 7 CONECT 10 5 11 12 58 CONECT 11 10 CONECT 12 10 13 14 59 CONECT 13 12 60 CONECT 14 12 15 61 62 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 19 63 CONECT 18 17 64 CONECT 19 17 20 21 65 CONECT 20 19 66 CONECT 21 19 22 23 67 CONECT 22 21 68 69 70 CONECT 23 21 24 25 CONECT 24 23 CONECT 25 23 26 71 CONECT 26 25 27 72 CONECT 27 26 28 73 CONECT 28 27 29 74 CONECT 29 28 30 31 CONECT 30 29 75 76 77 CONECT 31 29 32 78 CONECT 32 31 33 79 CONECT 33 32 34 80 CONECT 34 33 35 81 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 CONECT 38 37 39 46 82 CONECT 39 38 40 83 84 CONECT 40 39 41 44 85 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 86 CONECT 44 40 45 87 88 CONECT 45 44 46 89 90 CONECT 46 45 47 38 91 CONECT 47 46 92 CONECT 48 1 CONECT 49 1 CONECT 50 1 CONECT 51 2 CONECT 52 2 CONECT 53 3 CONECT 54 4 CONECT 55 5 CONECT 56 8 CONECT 57 8 CONECT 58 10 CONECT 59 12 CONECT 60 13 CONECT 61 14 CONECT 62 14 CONECT 63 17 CONECT 64 18 CONECT 65 19 CONECT 66 20 CONECT 67 21 CONECT 68 22 CONECT 69 22 CONECT 70 22 CONECT 71 25 CONECT 72 26 CONECT 73 27 CONECT 74 28 CONECT 75 30 CONECT 76 30 CONECT 77 30 CONECT 78 31 CONECT 79 32 CONECT 80 33 CONECT 81 34 CONECT 82 38 CONECT 83 39 CONECT 84 39 CONECT 85 40 CONECT 86 43 CONECT 87 44 CONECT 88 44 CONECT 89 45 CONECT 90 45 CONECT 91 46 CONECT 92 47 MASTER 0 0 0 0 0 0 0 0 92 0 184 0 END