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 -6.479 0.979 0.140 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.344 1.003 1.130 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.723 0.359 2.446 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.367 0.007 2.993 0.00 0.00 C+0 HETATM 5 O UNK 0 -4.089 -0.177 4.221 0.00 0.00 O+0 HETATM 6 N UNK 0 -3.450 -0.086 1.926 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.059 -0.481 1.733 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.948 -0.902 0.282 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.682 -1.501 -0.100 0.00 0.00 C+0 HETATM 10 C UNK 0 0.068 -0.467 -0.906 0.00 0.00 C+0 HETATM 11 C UNK 0 0.416 -0.969 -2.250 0.00 0.00 C+0 HETATM 12 O UNK 0 -0.381 -1.467 -3.115 0.00 0.00 O+0 HETATM 13 N UNK 0 1.799 -0.813 -2.438 0.00 0.00 N+0 HETATM 14 C UNK 0 2.345 -0.312 -1.223 0.00 0.00 C+0 HETATM 15 C UNK 0 1.376 -0.142 -0.284 0.00 0.00 C+0 HETATM 16 C UNK 0 1.694 0.303 1.008 0.00 0.00 C+0 HETATM 17 C UNK 0 2.992 0.568 1.318 0.00 0.00 C+0 HETATM 18 C UNK 0 3.989 0.414 0.412 0.00 0.00 C+0 HETATM 19 C UNK 0 3.668 -0.024 -0.856 0.00 0.00 C+0 HETATM 20 O UNK 0 4.515 -0.255 -1.948 0.00 0.00 O+0 HETATM 21 C UNK 0 5.777 0.368 -2.055 0.00 0.00 C+0 HETATM 22 C UNK 0 6.654 0.604 -1.097 0.00 0.00 C+0 HETATM 23 C UNK 0 6.515 0.261 0.338 0.00 0.00 C+0 HETATM 24 C UNK 0 7.650 0.851 1.153 0.00 0.00 C+0 HETATM 25 C UNK 0 6.515 -1.267 0.457 0.00 0.00 C+0 HETATM 26 O UNK 0 5.276 0.715 0.835 0.00 0.00 O+0 HETATM 27 C UNK 0 -0.818 0.762 -1.024 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.296 1.976 -0.356 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.853 1.109 -2.530 0.00 0.00 C+0 HETATM 30 C UNK 0 -2.146 0.267 -0.660 0.00 0.00 C+0 HETATM 31 C UNK 0 -3.110 1.204 -0.009 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.129 0.329 0.721 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.323 -0.973 -0.026 0.00 0.00 C+0 HETATM 34 O UNK 0 -5.380 -1.297 -0.585 0.00 0.00 O+0 HETATM 35 N UNK 0 -3.130 -1.751 0.012 0.00 0.00 N+0 HETATM 36 C UNK 0 -3.034 -3.165 -0.179 0.00 0.00 C+0 HETATM 37 H UNK 0 -7.135 0.105 0.409 0.00 0.00 H+0 HETATM 38 H UNK 0 -6.160 0.970 -0.901 0.00 0.00 H+0 HETATM 39 H UNK 0 -7.107 1.874 0.325 0.00 0.00 H+0 HETATM 40 H UNK 0 -5.117 2.064 1.355 0.00 0.00 H+0 HETATM 41 H UNK 0 -6.257 1.044 3.121 0.00 0.00 H+0 HETATM 42 H UNK 0 -6.343 -0.542 2.297 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.460 0.379 2.015 0.00 0.00 H+0 HETATM 44 H UNK 0 -1.780 -1.335 2.362 0.00 0.00 H+0 HETATM 45 H UNK 0 -0.823 -2.444 -0.679 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.088 -1.789 0.811 0.00 0.00 H+0 HETATM 47 H UNK 0 2.377 -1.017 -3.310 0.00 0.00 H+0 HETATM 48 H UNK 0 0.902 0.426 1.750 0.00 0.00 H+0 HETATM 49 H UNK 0 3.262 0.918 2.326 0.00 0.00 H+0 HETATM 50 H UNK 0 6.078 0.704 -3.062 0.00 0.00 H+0 HETATM 51 H UNK 0 7.591 1.108 -1.391 0.00 0.00 H+0 HETATM 52 H UNK 0 8.187 1.652 0.589 0.00 0.00 H+0 HETATM 53 H UNK 0 8.417 0.049 1.311 0.00 0.00 H+0 HETATM 54 H UNK 0 7.332 1.195 2.142 0.00 0.00 H+0 HETATM 55 H UNK 0 6.227 -1.707 -0.528 0.00 0.00 H+0 HETATM 56 H UNK 0 7.499 -1.649 0.768 0.00 0.00 H+0 HETATM 57 H UNK 0 5.762 -1.621 1.181 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.450 2.071 0.716 0.00 0.00 H+0 HETATM 59 H UNK 0 0.823 2.000 -0.522 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.645 2.873 -0.923 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.631 0.496 -3.033 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.102 2.186 -2.600 0.00 0.00 H+0 HETATM 63 H UNK 0 0.161 0.969 -2.956 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.682 -0.107 -1.592 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.661 1.851 0.773 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.645 1.825 -0.778 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.155 -3.565 0.387 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.975 -3.652 0.148 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.910 -3.361 -1.269 0.00 0.00 H+0 CONECT 1 2 37 38 39 CONECT 2 1 3 32 40 CONECT 3 2 4 41 42 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 32 CONECT 7 6 8 43 44 CONECT 8 7 9 30 35 CONECT 9 8 10 45 46 CONECT 10 9 11 27 15 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 47 CONECT 14 13 15 19 CONECT 15 14 16 10 CONECT 16 15 17 48 CONECT 17 16 18 49 CONECT 18 17 19 26 CONECT 19 18 20 14 CONECT 20 19 21 CONECT 21 20 22 50 CONECT 22 21 23 51 CONECT 23 22 24 25 26 CONECT 24 23 52 53 54 CONECT 25 23 55 56 57 CONECT 26 23 18 CONECT 27 10 28 29 30 CONECT 28 27 58 59 60 CONECT 29 27 61 62 63 CONECT 30 27 31 8 64 CONECT 31 30 32 65 66 CONECT 32 31 33 2 6 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 8 CONECT 36 35 67 68 69 CONECT 37 1 CONECT 38 1 CONECT 39 1 CONECT 40 2 CONECT 41 3 CONECT 42 3 CONECT 43 7 CONECT 44 7 CONECT 45 9 CONECT 46 9 CONECT 47 13 CONECT 48 16 CONECT 49 17 CONECT 50 21 CONECT 51 22 CONECT 52 24 CONECT 53 24 CONECT 54 24 CONECT 55 25 CONECT 56 25 CONECT 57 25 CONECT 58 28 CONECT 59 28 CONECT 60 28 CONECT 61 29 CONECT 62 29 CONECT 63 29 CONECT 64 30 CONECT 65 31 CONECT 66 31 CONECT 67 36 CONECT 68 36 CONECT 69 36 MASTER 0 0 0 0 0 0 0 0 69 0 150 0 END