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 -3.562 1.529 3.149 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.869 2.402 1.963 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.122 2.094 0.722 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.555 3.065 -0.346 0.00 0.00 C+0 HETATM 5 O UNK 0 -1.717 2.414 0.959 0.00 0.00 O+0 HETATM 6 C UNK 0 -0.604 1.612 0.759 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.311 0.388 1.329 0.00 0.00 C+0 HETATM 8 C UNK 0 0.853 -0.251 0.972 0.00 0.00 C+0 HETATM 9 C UNK 0 1.730 0.365 0.038 0.00 0.00 C+0 HETATM 10 S UNK 0 3.278 -0.469 -0.434 0.00 0.00 S+0 HETATM 11 O UNK 0 4.047 -0.350 0.931 0.00 0.00 O+0 HETATM 12 C UNK 0 4.162 0.740 -1.453 0.00 0.00 C+0 HETATM 13 C UNK 0 5.467 0.266 -1.962 0.00 0.00 C+0 HETATM 14 O UNK 0 5.998 1.314 -2.733 0.00 0.00 O+0 HETATM 15 C UNK 0 6.490 -0.152 -0.977 0.00 0.00 C+0 HETATM 16 C UNK 0 6.956 0.869 -0.002 0.00 0.00 C+0 HETATM 17 N UNK 0 7.543 2.032 -0.654 0.00 0.00 N+0 HETATM 18 C UNK 0 8.106 0.224 0.745 0.00 0.00 C+0 HETATM 19 O UNK 0 7.848 -0.811 1.397 0.00 0.00 O+0 HETATM 20 O UNK 0 9.384 0.720 0.731 0.00 0.00 O+0 HETATM 21 C UNK 0 1.456 1.585 -0.533 0.00 0.00 C+0 HETATM 22 C UNK 0 0.292 2.197 -0.167 0.00 0.00 C+0 HETATM 23 O UNK 0 0.069 3.433 -0.774 0.00 0.00 O+0 HETATM 24 C UNK 0 1.370 -1.594 1.332 0.00 0.00 C+0 HETATM 25 O UNK 0 1.798 -1.579 2.653 0.00 0.00 O+0 HETATM 26 C UNK 0 0.497 -2.779 1.105 0.00 0.00 C+0 HETATM 27 N UNK 0 0.859 -3.368 -0.186 0.00 0.00 N+0 HETATM 28 C UNK 0 0.693 -4.804 -0.185 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.951 -2.534 1.160 0.00 0.00 C+0 HETATM 30 O UNK 0 -1.505 -2.652 2.306 0.00 0.00 O+0 HETATM 31 N UNK 0 -1.809 -2.183 0.092 0.00 0.00 N+0 HETATM 32 C UNK 0 -1.409 -1.746 -1.216 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.614 -2.933 -2.157 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.093 -0.554 -1.740 0.00 0.00 C+0 HETATM 35 O UNK 0 -2.373 -0.597 -3.005 0.00 0.00 O+0 HETATM 36 N UNK 0 -2.470 0.600 -1.054 0.00 0.00 N+0 HETATM 37 C UNK 0 -3.265 0.701 0.168 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.683 0.435 -0.169 0.00 0.00 C+0 HETATM 39 O UNK 0 -4.945 0.335 -1.431 0.00 0.00 O+0 HETATM 40 N UNK 0 -5.750 0.278 0.731 0.00 0.00 N+0 HETATM 41 C UNK 0 -7.084 0.022 0.207 0.00 0.00 C+0 HETATM 42 C UNK 0 -7.580 1.086 -0.676 0.00 0.00 C+0 HETATM 43 O UNK 0 -6.901 2.108 -0.942 0.00 0.00 O+0 HETATM 44 O UNK 0 -8.864 0.911 -1.218 0.00 0.00 O+0 HETATM 45 H UNK 0 -4.457 1.565 3.826 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.521 0.465 2.808 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.629 1.751 3.669 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.560 3.477 2.233 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.958 2.482 1.835 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.679 3.419 -0.923 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.174 2.489 -1.089 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.145 3.909 0.078 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.019 -0.014 2.136 0.00 0.00 H+0 HETATM 54 H UNK 0 3.531 0.981 -2.348 0.00 0.00 H+0 HETATM 55 H UNK 0 4.271 1.700 -0.901 0.00 0.00 H+0 HETATM 56 H UNK 0 5.330 -0.579 -2.678 0.00 0.00 H+0 HETATM 57 H UNK 0 5.258 1.827 -3.135 0.00 0.00 H+0 HETATM 58 H UNK 0 6.219 -1.108 -0.458 0.00 0.00 H+0 HETATM 59 H UNK 0 7.404 -0.441 -1.581 0.00 0.00 H+0 HETATM 60 H UNK 0 6.262 1.211 0.751 0.00 0.00 H+0 HETATM 61 H UNK 0 7.711 2.732 0.131 0.00 0.00 H+0 HETATM 62 H UNK 0 8.500 1.838 -1.022 0.00 0.00 H+0 HETATM 63 H UNK 0 9.945 0.963 1.540 0.00 0.00 H+0 HETATM 64 H UNK 0 2.149 2.033 -1.245 0.00 0.00 H+0 HETATM 65 H UNK 0 0.716 3.815 -1.428 0.00 0.00 H+0 HETATM 66 H UNK 0 2.326 -1.870 0.781 0.00 0.00 H+0 HETATM 67 H UNK 0 1.136 -1.966 3.291 0.00 0.00 H+0 HETATM 68 H UNK 0 0.813 -3.562 1.859 0.00 0.00 H+0 HETATM 69 H UNK 0 1.841 -3.151 -0.442 0.00 0.00 H+0 HETATM 70 H UNK 0 1.651 -5.326 -0.378 0.00 0.00 H+0 HETATM 71 H UNK 0 0.283 -5.214 0.754 0.00 0.00 H+0 HETATM 72 H UNK 0 0.007 -5.095 -1.029 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.870 -2.249 0.228 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.297 -1.594 -1.227 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.677 -3.261 -2.644 0.00 0.00 H+0 HETATM 76 H UNK 0 -2.285 -2.598 -2.996 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.137 -3.764 -1.652 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.163 1.542 -1.455 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.987 -0.018 0.926 0.00 0.00 H+0 HETATM 80 H UNK 0 -5.677 0.307 1.750 0.00 0.00 H+0 HETATM 81 H UNK 0 -7.827 -0.114 1.011 0.00 0.00 H+0 HETATM 82 H UNK 0 -7.044 -0.977 -0.311 0.00 0.00 H+0 HETATM 83 H UNK 0 -9.110 0.027 -1.667 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 1 3 48 49 CONECT 3 2 4 5 37 CONECT 4 3 50 51 52 CONECT 5 3 6 CONECT 6 5 7 22 CONECT 7 6 8 53 CONECT 8 7 9 24 CONECT 9 8 10 21 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 54 55 CONECT 13 12 14 15 56 CONECT 14 13 57 CONECT 15 13 16 58 59 CONECT 16 15 17 18 60 CONECT 17 16 61 62 CONECT 18 16 19 20 CONECT 19 18 CONECT 20 18 63 CONECT 21 9 22 64 CONECT 22 21 23 6 CONECT 23 22 65 CONECT 24 8 25 26 66 CONECT 25 24 67 CONECT 26 24 27 29 68 CONECT 27 26 28 69 CONECT 28 27 70 71 72 CONECT 29 26 30 31 CONECT 30 29 CONECT 31 29 32 73 CONECT 32 31 33 34 74 CONECT 33 32 75 76 77 CONECT 34 32 35 36 CONECT 35 34 CONECT 36 34 37 78 CONECT 37 36 38 3 79 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 80 CONECT 41 40 42 81 82 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 83 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 2 CONECT 49 2 CONECT 50 4 CONECT 51 4 CONECT 52 4 CONECT 53 7 CONECT 54 12 CONECT 55 12 CONECT 56 13 CONECT 57 14 CONECT 58 15 CONECT 59 15 CONECT 60 16 CONECT 61 17 CONECT 62 17 CONECT 63 20 CONECT 64 21 CONECT 65 23 CONECT 66 24 CONECT 67 25 CONECT 68 26 CONECT 69 27 CONECT 70 28 CONECT 71 28 CONECT 72 28 CONECT 73 31 CONECT 74 32 CONECT 75 33 CONECT 76 33 CONECT 77 33 CONECT 78 36 CONECT 79 37 CONECT 80 40 CONECT 81 41 CONECT 82 41 CONECT 83 44 MASTER 0 0 0 0 0 0 0 0 83 0 168 0 END