HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -2.143 -4.348 -0.935 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.140 -2.882 -0.626 0.00 0.00 C+0 HETATM 3 O UNK 0 -3.153 -2.353 -0.175 0.00 0.00 O+0 HETATM 4 O UNK 0 -1.010 -2.178 -0.855 0.00 0.00 O+0 HETATM 5 C UNK 0 -0.865 -0.741 -0.603 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.667 -0.228 -1.892 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.316 0.835 -2.345 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.319 1.680 -1.690 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.743 2.659 -2.862 0.00 0.00 C+0 HETATM 10 O UNK 0 -1.785 2.708 -0.873 0.00 0.00 O+0 HETATM 11 C UNK 0 -3.553 1.089 -1.141 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.060 1.512 0.164 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.368 0.736 0.411 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.285 1.454 1.417 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.047 0.181 2.041 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.872 -0.469 2.128 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.645 0.103 1.554 0.00 0.00 C+0 HETATM 18 C UNK 0 0.184 0.763 2.558 0.00 0.00 C+0 HETATM 19 C UNK 0 1.456 0.698 2.608 0.00 0.00 C+0 HETATM 20 C UNK 0 2.300 1.394 3.658 0.00 0.00 C+0 HETATM 21 O UNK 0 3.140 2.258 2.939 0.00 0.00 O+0 HETATM 22 C UNK 0 2.200 -0.092 1.630 0.00 0.00 C+0 HETATM 23 C UNK 0 2.729 -1.276 2.385 0.00 0.00 C+0 HETATM 24 C UNK 0 1.487 -0.431 0.333 0.00 0.00 C+0 HETATM 25 C UNK 0 2.216 -1.652 -0.158 0.00 0.00 C+0 HETATM 26 C UNK 0 2.773 -1.609 -1.538 0.00 0.00 C+0 HETATM 27 C UNK 0 3.739 -0.500 -1.663 0.00 0.00 C+0 HETATM 28 C UNK 0 3.357 0.724 -2.146 0.00 0.00 C+0 HETATM 29 C UNK 0 4.284 1.769 -2.243 0.00 0.00 C+0 HETATM 30 C UNK 0 5.594 1.572 -1.850 0.00 0.00 C+0 HETATM 31 C UNK 0 5.979 0.358 -1.370 0.00 0.00 C+0 HETATM 32 C UNK 0 5.042 -0.679 -1.278 0.00 0.00 C+0 HETATM 33 N UNK 0 1.238 -2.684 0.080 0.00 0.00 N+0 HETATM 34 C UNK 0 0.223 -2.182 0.992 0.00 0.00 C+0 HETATM 35 O UNK 0 -0.296 -2.861 1.885 0.00 0.00 O+0 HETATM 36 C UNK 0 0.055 -0.778 0.538 0.00 0.00 C+0 HETATM 37 H UNK 0 -1.306 -4.628 -1.593 0.00 0.00 H+0 HETATM 38 H UNK 0 -3.132 -4.610 -1.361 0.00 0.00 H+0 HETATM 39 H UNK 0 -2.027 -4.920 0.016 0.00 0.00 H+0 HETATM 40 H UNK 0 -1.765 -0.299 -0.239 0.00 0.00 H+0 HETATM 41 H UNK 0 0.038 -0.686 -2.619 0.00 0.00 H+0 HETATM 42 H UNK 0 -1.019 1.103 -3.413 0.00 0.00 H+0 HETATM 43 H UNK 0 -3.445 3.386 -2.412 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.271 2.088 -3.626 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.814 3.145 -3.191 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.493 3.361 -0.751 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.717 -0.003 -1.384 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.409 1.467 -1.828 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.420 2.586 0.072 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.667 0.939 1.446 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.165 1.135 -0.255 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.207 -0.354 0.288 0.00 0.00 H+0 HETATM 53 H UNK 0 -2.462 2.157 1.292 0.00 0.00 H+0 HETATM 54 H UNK 0 -3.947 2.014 2.170 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.903 -0.335 2.499 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.839 -1.402 2.626 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.908 0.998 0.885 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.359 1.343 3.303 0.00 0.00 H+0 HETATM 59 H UNK 0 2.826 0.708 4.311 0.00 0.00 H+0 HETATM 60 H UNK 0 1.590 2.067 4.199 0.00 0.00 H+0 HETATM 61 H UNK 0 2.529 2.930 2.514 0.00 0.00 H+0 HETATM 62 H UNK 0 3.129 0.514 1.338 0.00 0.00 H+0 HETATM 63 H UNK 0 3.835 -1.315 2.252 0.00 0.00 H+0 HETATM 64 H UNK 0 2.329 -2.247 2.193 0.00 0.00 H+0 HETATM 65 H UNK 0 2.615 -1.127 3.504 0.00 0.00 H+0 HETATM 66 H UNK 0 1.612 0.461 -0.328 0.00 0.00 H+0 HETATM 67 H UNK 0 3.166 -1.872 0.441 0.00 0.00 H+0 HETATM 68 H UNK 0 3.422 -2.543 -1.724 0.00 0.00 H+0 HETATM 69 H UNK 0 2.067 -1.673 -2.365 0.00 0.00 H+0 HETATM 70 H UNK 0 2.365 0.967 -2.484 0.00 0.00 H+0 HETATM 71 H UNK 0 4.006 2.742 -2.620 0.00 0.00 H+0 HETATM 72 H UNK 0 6.294 2.392 -1.933 0.00 0.00 H+0 HETATM 73 H UNK 0 7.002 0.204 -1.063 0.00 0.00 H+0 HETATM 74 H UNK 0 5.432 -1.611 -0.886 0.00 0.00 H+0 HETATM 75 H UNK 0 1.289 -3.633 -0.353 0.00 0.00 H+0 CONECT 1 2 37 38 39 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 36 40 CONECT 6 5 7 41 CONECT 7 6 8 42 CONECT 8 7 9 10 11 CONECT 9 8 43 44 45 CONECT 10 8 46 CONECT 11 8 12 47 48 CONECT 12 11 13 14 49 CONECT 13 12 50 51 52 CONECT 14 12 15 53 54 CONECT 15 14 16 55 CONECT 16 15 17 56 CONECT 17 16 18 36 57 CONECT 18 17 19 58 CONECT 19 18 20 22 CONECT 20 19 21 59 60 CONECT 21 20 61 CONECT 22 19 23 24 62 CONECT 23 22 63 64 65 CONECT 24 22 25 36 66 CONECT 25 24 26 33 67 CONECT 26 25 27 68 69 CONECT 27 26 28 32 CONECT 28 27 29 70 CONECT 29 28 30 71 CONECT 30 29 31 72 CONECT 31 30 32 73 CONECT 32 31 27 74 CONECT 33 25 34 75 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 5 17 24 CONECT 37 1 CONECT 38 1 CONECT 39 1 CONECT 40 5 CONECT 41 6 CONECT 42 7 CONECT 43 9 CONECT 44 9 CONECT 45 9 CONECT 46 10 CONECT 47 11 CONECT 48 11 CONECT 49 12 CONECT 50 13 CONECT 51 13 CONECT 52 13 CONECT 53 14 CONECT 54 14 CONECT 55 15 CONECT 56 16 CONECT 57 17 CONECT 58 18 CONECT 59 20 CONECT 60 20 CONECT 61 21 CONECT 62 22 CONECT 63 23 CONECT 64 23 CONECT 65 23 CONECT 66 24 CONECT 67 25 CONECT 68 26 CONECT 69 26 CONECT 70 28 CONECT 71 29 CONECT 72 30 CONECT 73 31 CONECT 74 32 CONECT 75 33 MASTER 0 0 0 0 0 0 0 0 75 0 156 0 END