HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -2.561 -0.502 -2.733 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.495 0.679 -2.098 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.273 0.923 -0.899 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.080 0.434 0.335 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.091 -0.583 0.863 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.981 -1.533 1.523 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.213 -2.722 0.902 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.188 -3.528 1.705 0.00 0.00 C+0 HETATM 9 O UNK 0 -2.712 -3.097 -0.148 0.00 0.00 O+0 HETATM 10 C UNK 0 -1.031 -0.070 1.944 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.735 0.905 2.929 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.568 -1.332 2.791 0.00 0.00 C+0 HETATM 13 O UNK 0 -0.017 -2.317 1.886 0.00 0.00 O+0 HETATM 14 C UNK 0 -0.275 -3.626 2.153 0.00 0.00 C+0 HETATM 15 C UNK 0 0.364 -4.496 1.116 0.00 0.00 C+0 HETATM 16 O UNK 0 -0.926 -4.040 3.102 0.00 0.00 O+0 HETATM 17 C UNK 0 0.483 -1.026 3.875 0.00 0.00 C+0 HETATM 18 C UNK 0 1.698 -0.259 3.351 0.00 0.00 C+0 HETATM 19 O UNK 0 2.533 -1.101 2.536 0.00 0.00 O+0 HETATM 20 C UNK 0 3.440 -1.863 3.202 0.00 0.00 C+0 HETATM 21 C UNK 0 4.280 -2.627 2.225 0.00 0.00 C+0 HETATM 22 O UNK 0 3.563 -1.924 4.416 0.00 0.00 O+0 HETATM 23 C UNK 0 1.249 0.915 2.506 0.00 0.00 C+0 HETATM 24 C UNK 0 1.331 2.318 3.085 0.00 0.00 C+0 HETATM 25 O UNK 0 2.327 1.812 2.188 0.00 0.00 O+0 HETATM 26 C UNK 0 0.309 0.560 1.331 0.00 0.00 C+0 HETATM 27 C UNK 0 0.260 1.672 0.214 0.00 0.00 C+0 HETATM 28 O UNK 0 -0.942 2.449 0.379 0.00 0.00 O+0 HETATM 29 C UNK 0 -0.843 3.797 0.212 0.00 0.00 C+0 HETATM 30 C UNK 0 -2.121 4.467 0.614 0.00 0.00 C+0 HETATM 31 O UNK 0 0.138 4.376 -0.226 0.00 0.00 O+0 HETATM 32 C UNK 0 0.471 1.108 -1.240 0.00 0.00 C+0 HETATM 33 O UNK 0 0.089 -0.275 -1.277 0.00 0.00 O+0 HETATM 34 C UNK 0 1.950 1.173 -1.684 0.00 0.00 C+0 HETATM 35 C UNK 0 2.879 0.109 -1.119 0.00 0.00 C+0 HETATM 36 C UNK 0 1.803 1.034 -3.182 0.00 0.00 C+0 HETATM 37 O UNK 0 2.677 0.720 -3.970 0.00 0.00 O+0 HETATM 38 O UNK 0 0.509 1.297 -3.544 0.00 0.00 O+0 HETATM 39 C UNK 0 -0.165 1.879 -2.408 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.704 1.887 -2.571 0.00 0.00 C+0 HETATM 41 Cl UNK 0 -2.190 2.333 -4.248 0.00 0.00 Cl+0 HETATM 42 H UNK 0 -2.020 -0.684 -3.657 0.00 0.00 H+0 HETATM 43 H UNK 0 -3.165 -1.323 -2.353 0.00 0.00 H+0 HETATM 44 H UNK 0 -4.077 1.650 -1.034 0.00 0.00 H+0 HETATM 45 H UNK 0 -3.789 0.785 1.086 0.00 0.00 H+0 HETATM 46 H UNK 0 -1.565 -1.090 0.057 0.00 0.00 H+0 HETATM 47 H UNK 0 -5.163 -3.034 1.705 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.295 -4.519 1.255 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.819 -3.651 2.726 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.615 0.433 3.380 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.072 1.822 2.442 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.093 1.216 3.757 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.440 -1.748 3.311 0.00 0.00 H+0 HETATM 54 H UNK 0 0.012 -5.524 1.240 0.00 0.00 H+0 HETATM 55 H UNK 0 0.080 -4.157 0.117 0.00 0.00 H+0 HETATM 56 H UNK 0 1.449 -4.474 1.234 0.00 0.00 H+0 HETATM 57 H UNK 0 0.013 -0.445 4.676 0.00 0.00 H+0 HETATM 58 H UNK 0 0.816 -1.971 4.322 0.00 0.00 H+0 HETATM 59 H UNK 0 2.282 0.114 4.202 0.00 0.00 H+0 HETATM 60 H UNK 0 3.643 -3.259 1.601 0.00 0.00 H+0 HETATM 61 H UNK 0 4.853 -1.931 1.607 0.00 0.00 H+0 HETATM 62 H UNK 0 4.978 -3.269 2.770 0.00 0.00 H+0 HETATM 63 H UNK 0 1.616 2.445 4.124 0.00 0.00 H+0 HETATM 64 H UNK 0 0.671 3.093 2.719 0.00 0.00 H+0 HETATM 65 H UNK 0 0.840 -0.274 0.862 0.00 0.00 H+0 HETATM 66 H UNK 0 1.098 2.356 0.367 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.325 4.271 1.669 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.943 4.110 -0.011 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.021 5.547 0.474 0.00 0.00 H+0 HETATM 70 H UNK 0 0.037 -0.588 -2.201 0.00 0.00 H+0 HETATM 71 H UNK 0 2.370 2.170 -1.500 0.00 0.00 H+0 HETATM 72 H UNK 0 2.542 -0.905 -1.358 0.00 0.00 H+0 HETATM 73 H UNK 0 2.971 0.199 -0.034 0.00 0.00 H+0 HETATM 74 H UNK 0 3.884 0.216 -1.542 0.00 0.00 H+0 HETATM 75 H UNK 0 0.154 2.931 -2.390 0.00 0.00 H+0 HETATM 76 H UNK 0 -2.061 2.749 -1.999 0.00 0.00 H+0 CONECT 1 2 42 43 CONECT 2 40 3 1 CONECT 3 4 2 44 CONECT 4 3 5 45 CONECT 5 6 10 4 46 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 47 48 49 CONECT 9 7 CONECT 10 12 26 5 11 CONECT 11 10 50 51 52 CONECT 12 10 13 17 53 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 54 55 56 CONECT 16 14 CONECT 17 18 12 57 58 CONECT 18 19 17 23 59 CONECT 19 18 20 CONECT 20 19 22 21 CONECT 21 20 60 61 62 CONECT 22 20 CONECT 23 25 18 24 26 CONECT 24 25 23 63 64 CONECT 25 23 24 CONECT 26 10 65 27 23 CONECT 27 28 26 32 66 CONECT 28 27 29 CONECT 29 28 31 30 CONECT 30 29 67 68 69 CONECT 31 29 CONECT 32 33 39 34 27 CONECT 33 32 70 CONECT 34 32 36 35 71 CONECT 35 34 72 73 74 CONECT 36 34 38 37 CONECT 37 36 CONECT 38 39 36 CONECT 39 38 32 40 75 CONECT 40 41 39 2 76 CONECT 41 40 CONECT 42 1 CONECT 43 1 CONECT 44 3 CONECT 45 4 CONECT 46 5 CONECT 47 8 CONECT 48 8 CONECT 49 8 CONECT 50 11 CONECT 51 11 CONECT 52 11 CONECT 53 12 CONECT 54 15 CONECT 55 15 CONECT 56 15 CONECT 57 17 CONECT 58 17 CONECT 59 18 CONECT 60 21 CONECT 61 21 CONECT 62 21 CONECT 63 24 CONECT 64 24 CONECT 65 26 CONECT 66 27 CONECT 67 30 CONECT 68 30 CONECT 69 30 CONECT 70 33 CONECT 71 34 CONECT 72 35 CONECT 73 35 CONECT 74 35 CONECT 75 39 CONECT 76 40 MASTER 0 0 0 0 0 0 0 0 76 0 158 0 END