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 -0.579 -4.217 1.189 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.216 -2.777 1.215 0.00 0.00 C+0 HETATM 3 O UNK 0 0.502 -2.381 2.168 0.00 0.00 O+0 HETATM 4 O UNK 0 -0.611 -1.864 0.278 0.00 0.00 O+0 HETATM 5 C UNK 0 -0.271 -0.479 0.288 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.593 0.260 0.253 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.416 -0.510 -0.779 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.852 -0.015 -0.822 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.418 -0.155 0.575 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.892 0.054 0.635 0.00 0.00 C+0 HETATM 11 C UNK 0 -3.648 0.842 1.438 0.00 0.00 C+0 HETATM 12 O UNK 0 -3.534 2.006 0.658 0.00 0.00 O+0 HETATM 13 C UNK 0 -4.323 1.124 2.708 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.780 2.509 3.010 0.00 0.00 C+0 HETATM 15 O UNK 0 -4.506 0.231 3.504 0.00 0.00 O+0 HETATM 16 C UNK 0 -2.261 0.266 1.606 0.00 0.00 C+0 HETATM 17 O UNK 0 -1.546 1.140 2.416 0.00 0.00 O+0 HETATM 18 C UNK 0 -1.800 -0.164 -2.111 0.00 0.00 C+0 HETATM 19 Cl UNK 0 -2.704 -1.054 -3.347 0.00 0.00 Cl+0 HETATM 20 C UNK 0 -0.336 -0.312 -2.217 0.00 0.00 C+0 HETATM 21 C UNK 0 0.100 -1.614 -2.915 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.610 -1.774 -4.088 0.00 0.00 O+0 HETATM 23 C UNK 0 1.517 -1.311 -3.335 0.00 0.00 C+0 HETATM 24 C UNK 0 2.007 -1.526 -4.723 0.00 0.00 C+0 HETATM 25 C UNK 0 2.329 -0.838 -2.404 0.00 0.00 C+0 HETATM 26 C UNK 0 3.760 -0.502 -2.723 0.00 0.00 C+0 HETATM 27 C UNK 0 1.836 -0.653 -1.026 0.00 0.00 C+0 HETATM 28 C UNK 0 2.716 0.316 -0.252 0.00 0.00 C+0 HETATM 29 C UNK 0 3.355 -0.286 0.955 0.00 0.00 C+0 HETATM 30 C UNK 0 4.196 0.711 1.661 0.00 0.00 C+0 HETATM 31 C UNK 0 5.526 0.839 1.313 0.00 0.00 C+0 HETATM 32 C UNK 0 6.348 1.740 1.929 0.00 0.00 C+0 HETATM 33 C UNK 0 5.817 2.537 2.927 0.00 0.00 C+0 HETATM 34 C UNK 0 4.497 2.435 3.298 0.00 0.00 C+0 HETATM 35 C UNK 0 3.686 1.512 2.654 0.00 0.00 C+0 HETATM 36 N UNK 0 1.850 1.437 0.044 0.00 0.00 N+0 HETATM 37 C UNK 0 0.730 1.375 -0.855 0.00 0.00 C+0 HETATM 38 O UNK 0 0.124 2.333 -1.396 0.00 0.00 O+0 HETATM 39 C UNK 0 0.464 -0.104 -0.987 0.00 0.00 C+0 HETATM 40 H UNK 0 -1.408 -4.430 0.484 0.00 0.00 H+0 HETATM 41 H UNK 0 -0.988 -4.452 2.208 0.00 0.00 H+0 HETATM 42 H UNK 0 0.289 -4.881 1.042 0.00 0.00 H+0 HETATM 43 H UNK 0 0.354 -0.191 1.130 0.00 0.00 H+0 HETATM 44 H UNK 0 -1.464 1.296 -0.055 0.00 0.00 H+0 HETATM 45 H UNK 0 -2.424 -1.583 -0.559 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.802 1.054 -1.127 0.00 0.00 H+0 HETATM 47 H UNK 0 -4.384 -0.638 -1.545 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.121 -1.172 0.938 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.205 0.338 1.639 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.229 0.761 -0.155 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.381 -0.926 0.378 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.032 2.722 1.139 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.836 3.134 2.095 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.816 2.490 3.439 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.137 2.970 3.781 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.260 -0.729 2.069 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.270 1.952 1.893 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.064 0.925 -2.269 0.00 0.00 H+0 HETATM 59 H UNK 0 0.007 0.483 -2.954 0.00 0.00 H+0 HETATM 60 H UNK 0 0.022 -2.485 -2.268 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.522 -0.945 -4.645 0.00 0.00 H+0 HETATM 62 H UNK 0 1.145 -1.883 -5.329 0.00 0.00 H+0 HETATM 63 H UNK 0 2.438 -0.578 -5.107 0.00 0.00 H+0 HETATM 64 H UNK 0 2.811 -2.316 -4.692 0.00 0.00 H+0 HETATM 65 H UNK 0 3.898 0.576 -2.921 0.00 0.00 H+0 HETATM 66 H UNK 0 4.006 -1.026 -3.669 0.00 0.00 H+0 HETATM 67 H UNK 0 4.407 -0.825 -1.911 0.00 0.00 H+0 HETATM 68 H UNK 0 1.889 -1.655 -0.499 0.00 0.00 H+0 HETATM 69 H UNK 0 3.508 0.718 -0.924 0.00 0.00 H+0 HETATM 70 H UNK 0 2.620 -0.710 1.662 0.00 0.00 H+0 HETATM 71 H UNK 0 4.026 -1.105 0.588 0.00 0.00 H+0 HETATM 72 H UNK 0 5.914 0.204 0.532 0.00 0.00 H+0 HETATM 73 H UNK 0 7.391 1.845 1.662 0.00 0.00 H+0 HETATM 74 H UNK 0 6.463 3.252 3.418 0.00 0.00 H+0 HETATM 75 H UNK 0 4.072 3.069 4.091 0.00 0.00 H+0 HETATM 76 H UNK 0 2.648 1.424 2.938 0.00 0.00 H+0 HETATM 77 H UNK 0 1.974 2.185 0.767 0.00 0.00 H+0 CONECT 1 2 40 41 42 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 39 43 CONECT 6 5 7 16 44 CONECT 7 6 8 18 45 CONECT 8 7 9 46 47 CONECT 9 8 10 11 48 CONECT 10 9 49 50 51 CONECT 11 9 12 13 16 CONECT 12 11 52 CONECT 13 11 14 15 CONECT 14 13 53 54 55 CONECT 15 13 CONECT 16 11 17 6 56 CONECT 17 16 57 CONECT 18 7 19 20 58 CONECT 19 18 CONECT 20 18 21 39 59 CONECT 21 20 22 23 60 CONECT 22 21 61 CONECT 23 21 24 25 CONECT 24 23 62 63 64 CONECT 25 23 26 27 CONECT 26 25 65 66 67 CONECT 27 25 28 39 68 CONECT 28 27 29 36 69 CONECT 29 28 30 70 71 CONECT 30 29 31 35 CONECT 31 30 32 72 CONECT 32 31 33 73 CONECT 33 32 34 74 CONECT 34 33 35 75 CONECT 35 34 30 76 CONECT 36 28 37 77 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 5 20 27 CONECT 40 1 CONECT 41 1 CONECT 42 1 CONECT 43 5 CONECT 44 6 CONECT 45 7 CONECT 46 8 CONECT 47 8 CONECT 48 9 CONECT 49 10 CONECT 50 10 CONECT 51 10 CONECT 52 12 CONECT 53 14 CONECT 54 14 CONECT 55 14 CONECT 56 16 CONECT 57 17 CONECT 58 18 CONECT 59 20 CONECT 60 21 CONECT 61 22 CONECT 62 24 CONECT 63 24 CONECT 64 24 CONECT 65 26 CONECT 66 26 CONECT 67 26 CONECT 68 27 CONECT 69 28 CONECT 70 29 CONECT 71 29 CONECT 72 31 CONECT 73 32 CONECT 74 33 CONECT 75 34 CONECT 76 35 CONECT 77 36 MASTER 0 0 0 0 0 0 0 0 77 0 162 0 END