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 -0.866 5.248 2.250 0.00 0.00 C+0 HETATM 2 O UNK 0 -0.124 4.133 2.597 0.00 0.00 O+0 HETATM 3 C UNK 0 -0.501 2.983 1.908 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.995 1.924 2.812 0.00 0.00 C+0 HETATM 5 O UNK 0 -0.153 1.529 3.674 0.00 0.00 O+0 HETATM 6 O UNK 0 -2.259 1.446 2.689 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.071 1.250 1.595 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.006 2.391 1.257 0.00 0.00 C+0 HETATM 9 C UNK 0 -3.843 -0.050 1.763 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.818 0.220 2.924 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.645 -0.380 0.584 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.245 -1.055 -0.486 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.197 -1.316 -1.634 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.842 -1.541 -0.513 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.797 -2.815 -1.305 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.023 -3.631 -0.839 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.617 -3.678 -1.071 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.661 -4.726 -1.838 0.00 0.00 O+0 HETATM 19 N UNK 0 -0.541 -3.583 -0.233 0.00 0.00 N+0 HETATM 20 C UNK 0 0.599 -2.652 -0.176 0.00 0.00 C+0 HETATM 21 C UNK 0 1.825 -3.536 0.134 0.00 0.00 C+0 HETATM 22 C UNK 0 0.793 -1.881 -1.389 0.00 0.00 C+0 HETATM 23 O UNK 0 0.246 -2.427 -2.435 0.00 0.00 O+0 HETATM 24 N UNK 0 1.454 -0.670 -1.641 0.00 0.00 N+0 HETATM 25 C UNK 0 1.266 -0.097 -3.022 0.00 0.00 C+0 HETATM 26 C UNK 0 2.288 0.136 -0.794 0.00 0.00 C+0 HETATM 27 C UNK 0 3.753 -0.000 -0.961 0.00 0.00 C+0 HETATM 28 C UNK 0 4.411 -1.275 -0.745 0.00 0.00 C+0 HETATM 29 C UNK 0 4.421 -2.352 -1.599 0.00 0.00 C+0 HETATM 30 Cl UNK 0 3.675 -2.518 -3.187 0.00 0.00 Cl+0 HETATM 31 N UNK 0 5.151 -3.378 -1.074 0.00 0.00 N+0 HETATM 32 C UNK 0 5.616 -2.977 0.113 0.00 0.00 C+0 HETATM 33 C UNK 0 6.412 -3.616 1.048 0.00 0.00 C+0 HETATM 34 C UNK 0 6.768 -2.958 2.212 0.00 0.00 C+0 HETATM 35 C UNK 0 6.310 -1.655 2.415 0.00 0.00 C+0 HETATM 36 C UNK 0 5.522 -1.032 1.483 0.00 0.00 C+0 HETATM 37 C UNK 0 5.182 -1.697 0.342 0.00 0.00 C+0 HETATM 38 C UNK 0 1.823 0.265 0.614 0.00 0.00 C+0 HETATM 39 O UNK 0 2.421 -0.497 1.447 0.00 0.00 O+0 HETATM 40 N UNK 0 0.818 1.126 1.088 0.00 0.00 N+0 HETATM 41 C UNK 0 0.701 2.532 1.058 0.00 0.00 C+0 HETATM 42 C UNK 0 0.541 3.199 -0.229 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.348 2.730 -1.161 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.563 3.299 -2.389 0.00 0.00 C+0 HETATM 45 C UNK 0 0.148 4.423 -2.742 0.00 0.00 C+0 HETATM 46 O UNK 0 -0.033 5.042 -3.981 0.00 0.00 O+0 HETATM 47 C UNK 0 1.054 4.930 -1.837 0.00 0.00 C+0 HETATM 48 Cl UNK 0 1.952 6.372 -2.315 0.00 0.00 Cl+0 HETATM 49 C UNK 0 1.247 4.335 -0.609 0.00 0.00 C+0 HETATM 50 H UNK 0 -0.476 6.093 2.859 0.00 0.00 H+0 HETATM 51 H UNK 0 -0.752 5.523 1.186 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.943 5.181 2.471 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.333 3.297 1.250 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.427 1.081 0.706 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.330 2.989 2.111 0.00 0.00 H+0 HETATM 56 H UNK 0 -4.908 1.939 0.744 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.545 3.020 0.468 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.169 -0.813 2.143 0.00 0.00 H+0 HETATM 59 H UNK 0 -4.887 -0.642 3.600 0.00 0.00 H+0 HETATM 60 H UNK 0 -5.854 0.414 2.519 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.491 1.077 3.531 0.00 0.00 H+0 HETATM 62 H UNK 0 -5.701 -0.049 0.539 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.617 -0.320 -1.927 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.703 -1.694 -2.522 0.00 0.00 H+0 HETATM 65 H UNK 0 -6.073 -1.891 -1.274 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.140 -0.796 -0.928 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.515 -1.782 0.514 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.884 -2.598 -2.382 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.681 -4.631 -0.423 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.534 -3.160 0.011 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.670 -3.920 -1.686 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.465 -4.317 0.559 0.00 0.00 H+0 HETATM 73 H UNK 0 0.410 -2.066 0.740 0.00 0.00 H+0 HETATM 74 H UNK 0 2.604 -3.038 0.684 0.00 0.00 H+0 HETATM 75 H UNK 0 2.124 -3.985 -0.831 0.00 0.00 H+0 HETATM 76 H UNK 0 1.469 -4.394 0.776 0.00 0.00 H+0 HETATM 77 H UNK 0 0.407 0.592 -2.921 0.00 0.00 H+0 HETATM 78 H UNK 0 2.145 0.487 -3.308 0.00 0.00 H+0 HETATM 79 H UNK 0 1.109 -0.887 -3.753 0.00 0.00 H+0 HETATM 80 H UNK 0 2.111 1.234 -1.168 0.00 0.00 H+0 HETATM 81 H UNK 0 3.982 0.413 -2.005 0.00 0.00 H+0 HETATM 82 H UNK 0 4.323 0.745 -0.315 0.00 0.00 H+0 HETATM 83 H UNK 0 5.321 -4.311 -1.512 0.00 0.00 H+0 HETATM 84 H UNK 0 6.777 -4.636 0.901 0.00 0.00 H+0 HETATM 85 H UNK 0 7.381 -3.456 2.928 0.00 0.00 H+0 HETATM 86 H UNK 0 6.607 -1.174 3.334 0.00 0.00 H+0 HETATM 87 H UNK 0 5.174 -0.031 1.645 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.003 0.616 1.558 0.00 0.00 H+0 HETATM 89 H UNK 0 1.631 3.005 1.522 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.930 1.849 -0.941 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.270 2.906 -3.100 0.00 0.00 H+0 HETATM 92 H UNK 0 0.515 5.855 -4.185 0.00 0.00 H+0 HETATM 93 H UNK 0 1.962 4.753 0.080 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 1 3 CONECT 3 2 4 41 53 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 9 54 CONECT 8 7 55 56 57 CONECT 9 7 10 11 58 CONECT 10 9 59 60 61 CONECT 11 9 12 62 CONECT 12 11 13 14 CONECT 13 12 63 64 65 CONECT 14 12 15 66 67 CONECT 15 14 16 17 68 CONECT 16 15 69 70 71 CONECT 17 15 18 19 CONECT 18 17 CONECT 19 17 20 72 CONECT 20 19 21 22 73 CONECT 21 20 74 75 76 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 26 CONECT 25 24 77 78 79 CONECT 26 24 27 38 80 CONECT 27 26 28 81 82 CONECT 28 27 29 37 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 83 CONECT 32 31 33 37 CONECT 33 32 34 84 CONECT 34 33 35 85 CONECT 35 34 36 86 CONECT 36 35 37 87 CONECT 37 36 28 32 CONECT 38 26 39 40 CONECT 39 38 CONECT 40 38 41 88 CONECT 41 40 42 3 89 CONECT 42 41 43 49 CONECT 43 42 44 90 CONECT 44 43 45 91 CONECT 45 44 46 47 CONECT 46 45 92 CONECT 47 45 48 49 CONECT 48 47 CONECT 49 47 42 93 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 3 CONECT 54 7 CONECT 55 8 CONECT 56 8 CONECT 57 8 CONECT 58 9 CONECT 59 10 CONECT 60 10 CONECT 61 10 CONECT 62 11 CONECT 63 13 CONECT 64 13 CONECT 65 13 CONECT 66 14 CONECT 67 14 CONECT 68 15 CONECT 69 16 CONECT 70 16 CONECT 71 16 CONECT 72 19 CONECT 73 20 CONECT 74 21 CONECT 75 21 CONECT 76 21 CONECT 77 25 CONECT 78 25 CONECT 79 25 CONECT 80 26 CONECT 81 27 CONECT 82 27 CONECT 83 31 CONECT 84 33 CONECT 85 34 CONECT 86 35 CONECT 87 36 CONECT 88 40 CONECT 89 41 CONECT 90 43 CONECT 91 44 CONECT 92 46 CONECT 93 49 MASTER 0 0 0 0 0 0 0 0 93 0 192 0 END