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 7.047 -1.397 -1.410 0.00 0.00 C+0 HETATM 2 C UNK 0 6.640 -0.274 -0.518 0.00 0.00 C+0 HETATM 3 O UNK 0 7.434 0.649 -0.435 0.00 0.00 O+0 HETATM 4 C UNK 0 5.403 -0.223 0.225 0.00 0.00 C+0 HETATM 5 S UNK 0 5.175 -1.617 1.404 0.00 0.00 S+0 HETATM 6 S UNK 0 3.315 -1.024 2.364 0.00 0.00 S+0 HETATM 7 C UNK 0 2.844 0.390 1.301 0.00 0.00 C+0 HETATM 8 C UNK 0 3.921 1.372 1.414 0.00 0.00 C+0 HETATM 9 O UNK 0 3.683 2.526 1.827 0.00 0.00 O+0 HETATM 10 N UNK 0 5.239 0.982 1.043 0.00 0.00 N+0 HETATM 11 C UNK 0 6.364 1.785 1.488 0.00 0.00 C+0 HETATM 12 C UNK 0 1.461 0.889 1.504 0.00 0.00 C+0 HETATM 13 O UNK 0 1.448 2.196 1.097 0.00 0.00 O+0 HETATM 14 C UNK 0 0.659 -0.091 0.752 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.661 0.245 0.223 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.683 1.084 -1.026 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.517 2.414 -1.318 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.613 2.861 -2.645 0.00 0.00 C+0 HETATM 19 C UNK 0 -0.874 2.001 -3.686 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.044 0.664 -3.403 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.950 0.213 -2.093 0.00 0.00 C+0 HETATM 22 N UNK 0 -1.117 -1.108 -1.587 0.00 0.00 N+0 HETATM 23 C UNK 0 -1.473 -0.946 -0.190 0.00 0.00 C+0 HETATM 24 N UNK 0 -2.844 -0.511 -0.174 0.00 0.00 N+0 HETATM 25 C UNK 0 -4.039 -0.758 -0.879 0.00 0.00 C+0 HETATM 26 O UNK 0 -4.074 -1.277 -2.008 0.00 0.00 O+0 HETATM 27 C UNK 0 -5.386 -0.389 -0.269 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.450 -0.723 -1.164 0.00 0.00 C+0 HETATM 29 C UNK 0 -7.200 0.278 -1.955 0.00 0.00 C+0 HETATM 30 O UNK 0 -6.803 -1.891 -1.331 0.00 0.00 O+0 HETATM 31 S UNK 0 -5.369 -1.378 1.299 0.00 0.00 S+0 HETATM 32 S UNK 0 -3.673 -0.469 2.304 0.00 0.00 S+0 HETATM 33 C UNK 0 -2.913 0.470 0.919 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.914 1.450 0.485 0.00 0.00 C+0 HETATM 35 O UNK 0 -3.641 2.650 0.379 0.00 0.00 O+0 HETATM 36 N UNK 0 -5.242 0.972 0.181 0.00 0.00 N+0 HETATM 37 C UNK 0 -6.362 1.868 0.382 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.575 0.986 1.179 0.00 0.00 C+0 HETATM 39 O UNK 0 -1.236 0.894 2.498 0.00 0.00 O+0 HETATM 40 C UNK 0 0.674 -1.405 1.470 0.00 0.00 C+0 HETATM 41 C UNK 0 0.403 -1.819 2.751 0.00 0.00 C+0 HETATM 42 C UNK 0 0.487 -3.129 3.169 0.00 0.00 C+0 HETATM 43 C UNK 0 0.863 -4.089 2.261 0.00 0.00 C+0 HETATM 44 C UNK 0 1.149 -3.724 0.957 0.00 0.00 C+0 HETATM 45 C UNK 0 1.057 -2.412 0.571 0.00 0.00 C+0 HETATM 46 N UNK 0 1.338 -1.810 -0.706 0.00 0.00 N+0 HETATM 47 C UNK 0 1.564 -0.404 -0.468 0.00 0.00 C+0 HETATM 48 N UNK 0 2.904 -0.128 -0.053 0.00 0.00 N+0 HETATM 49 C UNK 0 4.168 -0.253 -0.642 0.00 0.00 C+0 HETATM 50 O UNK 0 4.273 -0.388 -1.882 0.00 0.00 O+0 HETATM 51 H UNK 0 8.082 -1.725 -1.254 0.00 0.00 H+0 HETATM 52 H UNK 0 6.945 -1.075 -2.482 0.00 0.00 H+0 HETATM 53 H UNK 0 6.394 -2.278 -1.294 0.00 0.00 H+0 HETATM 54 H UNK 0 6.694 2.525 0.740 0.00 0.00 H+0 HETATM 55 H UNK 0 6.054 2.380 2.381 0.00 0.00 H+0 HETATM 56 H UNK 0 7.208 1.127 1.830 0.00 0.00 H+0 HETATM 57 H UNK 0 1.227 0.904 2.607 0.00 0.00 H+0 HETATM 58 H UNK 0 1.931 2.353 0.238 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.333 3.129 -0.536 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.481 3.898 -2.858 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.940 2.387 -4.700 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.248 -0.006 -4.229 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.998 -1.970 -2.164 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.305 -1.857 0.414 0.00 0.00 H+0 HETATM 65 H UNK 0 -6.696 1.255 -2.037 0.00 0.00 H+0 HETATM 66 H UNK 0 -7.170 -0.122 -3.024 0.00 0.00 H+0 HETATM 67 H UNK 0 -8.264 0.379 -1.658 0.00 0.00 H+0 HETATM 68 H UNK 0 -6.372 2.236 1.456 0.00 0.00 H+0 HETATM 69 H UNK 0 -6.293 2.737 -0.279 0.00 0.00 H+0 HETATM 70 H UNK 0 -7.335 1.366 0.249 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.610 2.089 0.857 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.810 0.245 2.940 0.00 0.00 H+0 HETATM 73 H UNK 0 0.120 -1.069 3.491 0.00 0.00 H+0 HETATM 74 H UNK 0 0.258 -3.411 4.207 0.00 0.00 H+0 HETATM 75 H UNK 0 0.923 -5.113 2.608 0.00 0.00 H+0 HETATM 76 H UNK 0 1.447 -4.506 0.252 0.00 0.00 H+0 HETATM 77 H UNK 0 1.385 -2.260 -1.639 0.00 0.00 H+0 HETATM 78 H UNK 0 1.328 0.181 -1.339 0.00 0.00 H+0 CONECT 1 2 51 52 53 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 10 49 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 12 48 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 4 CONECT 11 10 54 55 56 CONECT 12 7 13 14 57 CONECT 13 12 58 CONECT 14 12 15 40 47 CONECT 15 14 16 23 38 CONECT 16 15 17 21 CONECT 17 16 18 59 CONECT 18 17 19 60 CONECT 19 18 20 61 CONECT 20 19 21 62 CONECT 21 20 22 16 CONECT 22 21 23 63 CONECT 23 22 24 15 64 CONECT 24 23 25 33 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 31 36 CONECT 28 27 29 30 CONECT 29 28 65 66 67 CONECT 30 28 CONECT 31 27 32 CONECT 32 31 33 CONECT 33 32 34 38 24 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 27 CONECT 37 36 68 69 70 CONECT 38 33 39 15 71 CONECT 39 38 72 CONECT 40 14 41 45 CONECT 41 40 42 73 CONECT 42 41 43 74 CONECT 43 42 44 75 CONECT 44 43 45 76 CONECT 45 44 46 40 CONECT 46 45 47 77 CONECT 47 46 48 14 78 CONECT 48 47 49 7 CONECT 49 48 50 4 CONECT 50 49 CONECT 51 1 CONECT 52 1 CONECT 53 1 CONECT 54 11 CONECT 55 11 CONECT 56 11 CONECT 57 12 CONECT 58 13 CONECT 59 17 CONECT 60 18 CONECT 61 19 CONECT 62 20 CONECT 63 22 CONECT 64 23 CONECT 65 29 CONECT 66 29 CONECT 67 29 CONECT 68 37 CONECT 69 37 CONECT 70 37 CONECT 71 38 CONECT 72 39 CONECT 73 41 CONECT 74 42 CONECT 75 43 CONECT 76 44 CONECT 77 46 CONECT 78 47 MASTER 0 0 0 0 0 0 0 0 78 0 174 0 END