HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 1.490 -2.067 -6.454 0.00 0.00 C+0 HETATM 2 C UNK 0 1.899 -2.363 -5.215 0.00 0.00 C+0 HETATM 3 C UNK 0 2.402 -3.698 -4.833 0.00 0.00 C+0 HETATM 4 O UNK 0 2.682 -4.609 -5.590 0.00 0.00 O+0 HETATM 5 O UNK 0 2.506 -3.728 -3.479 0.00 0.00 O+0 HETATM 6 C UNK 0 1.950 -2.535 -2.890 0.00 0.00 C+0 HETATM 7 C UNK 0 0.588 -2.882 -2.346 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.068 -2.474 -1.237 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.446 -3.069 -0.991 0.00 0.00 C+0 HETATM 10 C UNK 0 0.318 -1.464 -0.154 0.00 0.00 C+0 HETATM 11 O UNK 0 0.501 -2.225 1.059 0.00 0.00 O+0 HETATM 12 C UNK 0 -0.289 -1.708 2.136 0.00 0.00 C+0 HETATM 13 O UNK 0 0.141 -0.396 2.490 0.00 0.00 O+0 HETATM 14 C UNK 0 -0.693 0.178 3.500 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.278 1.635 3.727 0.00 0.00 C+0 HETATM 16 O UNK 0 -1.334 2.375 4.346 0.00 0.00 O+0 HETATM 17 C UNK 0 -0.586 -0.637 4.797 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.448 -0.100 5.806 0.00 0.00 O+0 HETATM 19 C UNK 0 -0.948 -2.099 4.517 0.00 0.00 C+0 HETATM 20 O UNK 0 -0.712 -2.873 5.702 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.131 -2.648 3.344 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.585 -3.976 3.042 0.00 0.00 O+0 HETATM 23 C UNK 0 1.537 -0.529 -0.316 0.00 0.00 C+0 HETATM 24 C UNK 0 1.292 0.614 -1.266 0.00 0.00 C+0 HETATM 25 C UNK 0 2.024 1.014 -2.328 0.00 0.00 C+0 HETATM 26 C UNK 0 1.654 2.236 -3.159 0.00 0.00 C+0 HETATM 27 O UNK 0 0.354 2.717 -2.798 0.00 0.00 O+0 HETATM 28 C UNK 0 0.077 3.987 -3.188 0.00 0.00 C+0 HETATM 29 O UNK 0 0.824 4.682 -3.868 0.00 0.00 O+0 HETATM 30 C UNK 0 -1.303 4.428 -2.756 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.769 3.881 -1.425 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.271 4.409 -0.223 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.703 3.905 1.007 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.629 2.868 1.036 0.00 0.00 C+0 HETATM 35 O UNK 0 -3.075 2.344 2.213 0.00 0.00 O+0 HETATM 36 C UNK 0 -3.130 2.331 -0.143 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.700 2.833 -1.372 0.00 0.00 C+0 HETATM 38 C UNK 0 3.294 0.323 -2.775 0.00 0.00 C+0 HETATM 39 C UNK 0 3.125 -0.550 -4.027 0.00 0.00 C+0 HETATM 40 C UNK 0 1.904 -1.489 -4.007 0.00 0.00 C+0 HETATM 41 H UNK 0 1.110 -1.082 -6.705 0.00 0.00 H+0 HETATM 42 H UNK 0 1.529 -2.808 -7.249 0.00 0.00 H+0 HETATM 43 H UNK 0 2.635 -2.273 -2.089 0.00 0.00 H+0 HETATM 44 H UNK 0 0.071 -3.609 -2.977 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.455 -3.643 -0.059 0.00 0.00 H+0 HETATM 46 H UNK 0 -1.766 -3.745 -1.791 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.196 -2.274 -0.921 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.559 -0.807 -0.044 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.340 -1.697 1.814 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.735 0.174 3.153 0.00 0.00 H+0 HETATM 51 H UNK 0 0.621 1.710 4.350 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.041 2.119 2.775 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.564 1.871 5.159 0.00 0.00 H+0 HETATM 54 H UNK 0 0.437 -0.592 5.192 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.469 -0.784 6.509 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.023 -2.192 4.314 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.792 -3.807 5.419 0.00 0.00 H+0 HETATM 58 H UNK 0 0.924 -2.736 3.630 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.116 -4.228 2.220 0.00 0.00 H+0 HETATM 60 H UNK 0 2.442 -1.099 -0.516 0.00 0.00 H+0 HETATM 61 H UNK 0 1.754 -0.065 0.655 0.00 0.00 H+0 HETATM 62 H UNK 0 0.410 1.200 -0.998 0.00 0.00 H+0 HETATM 63 H UNK 0 1.627 1.968 -4.221 0.00 0.00 H+0 HETATM 64 H UNK 0 2.413 3.011 -2.994 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.307 5.524 -2.696 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.006 4.149 -3.550 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.548 5.222 -0.236 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.314 4.331 1.927 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.543 2.709 2.953 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.857 1.525 -0.105 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.100 2.401 -2.287 0.00 0.00 H+0 HETATM 72 H UNK 0 4.060 1.083 -2.976 0.00 0.00 H+0 HETATM 73 H UNK 0 3.723 -0.281 -1.969 0.00 0.00 H+0 HETATM 74 H UNK 0 4.049 -1.128 -4.167 0.00 0.00 H+0 HETATM 75 H UNK 0 3.051 0.108 -4.903 0.00 0.00 H+0 HETATM 76 H UNK 0 0.985 -0.892 -3.964 0.00 0.00 H+0 CONECT 1 2 41 42 CONECT 2 3 40 1 CONECT 3 5 2 4 CONECT 4 3 CONECT 5 6 3 CONECT 6 7 40 5 43 CONECT 7 8 6 44 CONECT 8 10 7 9 CONECT 9 8 45 46 47 CONECT 10 23 11 8 48 CONECT 11 10 12 CONECT 12 21 13 11 49 CONECT 13 14 12 CONECT 14 17 13 15 50 CONECT 15 16 14 51 52 CONECT 16 15 53 CONECT 17 18 19 14 54 CONECT 18 17 55 CONECT 19 20 21 17 56 CONECT 20 19 57 CONECT 21 22 12 19 58 CONECT 22 21 59 CONECT 23 10 24 60 61 CONECT 24 23 25 62 CONECT 25 38 24 26 CONECT 26 25 27 63 64 CONECT 27 28 26 CONECT 28 30 27 29 CONECT 29 28 CONECT 30 31 28 65 66 CONECT 31 37 30 32 CONECT 32 33 31 67 CONECT 33 32 34 68 CONECT 34 35 36 33 CONECT 35 34 69 CONECT 36 34 37 70 CONECT 37 36 31 71 CONECT 38 25 39 72 73 CONECT 39 40 38 74 75 CONECT 40 39 6 2 76 CONECT 41 1 CONECT 42 1 CONECT 43 6 CONECT 44 7 CONECT 45 9 CONECT 46 9 CONECT 47 9 CONECT 48 10 CONECT 49 12 CONECT 50 14 CONECT 51 15 CONECT 52 15 CONECT 53 16 CONECT 54 17 CONECT 55 18 CONECT 56 19 CONECT 57 20 CONECT 58 21 CONECT 59 22 CONECT 60 23 CONECT 61 23 CONECT 62 24 CONECT 63 26 CONECT 64 26 CONECT 65 30 CONECT 66 30 CONECT 67 32 CONECT 68 33 CONECT 69 35 CONECT 70 36 CONECT 71 37 CONECT 72 38 CONECT 73 38 CONECT 74 39 CONECT 75 39 CONECT 76 40 MASTER 0 0 0 0 0 0 0 0 76 0 158 0 END