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 -9.670 -1.838 -0.935 0.00 0.00 C+0 HETATM 2 C UNK 0 -9.287 -0.398 -1.039 0.00 0.00 C+0 HETATM 3 C UNK 0 -9.428 0.087 -2.474 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.985 -0.023 -0.441 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.764 -0.663 -0.976 0.00 0.00 C+0 HETATM 6 C UNK 0 -6.669 -2.147 -0.871 0.00 0.00 C+0 HETATM 7 C UNK 0 -5.586 -0.095 -0.211 0.00 0.00 C+0 HETATM 8 O UNK 0 -5.772 0.757 0.676 0.00 0.00 O+0 HETATM 9 O UNK 0 -4.310 -0.499 -0.471 0.00 0.00 O+0 HETATM 10 C UNK 0 -3.100 -0.136 0.058 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.576 1.244 -0.182 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.514 1.639 -1.619 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.305 2.228 0.658 0.00 0.00 C+0 HETATM 14 O UNK 0 -4.109 3.138 0.319 0.00 0.00 O+0 HETATM 15 O UNK 0 -2.868 1.892 1.963 0.00 0.00 O+0 HETATM 16 C UNK 0 -1.457 1.791 1.843 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.869 3.174 2.057 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.826 0.824 2.785 0.00 0.00 C+0 HETATM 19 C UNK 0 0.582 0.538 2.339 0.00 0.00 C+0 HETATM 20 C UNK 0 1.499 0.136 3.271 0.00 0.00 C+0 HETATM 21 C UNK 0 2.806 -0.146 2.953 0.00 0.00 C+0 HETATM 22 C UNK 0 3.670 -0.545 3.947 0.00 0.00 C+0 HETATM 23 C UNK 0 4.960 -0.824 3.635 0.00 0.00 C+0 HETATM 24 C UNK 0 5.410 -0.712 2.342 0.00 0.00 C+0 HETATM 25 C UNK 0 4.561 -0.309 1.302 0.00 0.00 C+0 HETATM 26 C UNK 0 3.235 -0.021 1.619 0.00 0.00 C+0 HETATM 27 C UNK 0 2.344 0.380 0.653 0.00 0.00 C+0 HETATM 28 O UNK 0 2.686 0.520 -0.646 0.00 0.00 O+0 HETATM 29 C UNK 0 1.019 0.652 1.048 0.00 0.00 C+0 HETATM 30 C UNK 0 0.060 1.077 0.036 0.00 0.00 C+0 HETATM 31 O UNK 0 0.344 1.216 -1.165 0.00 0.00 O+0 HETATM 32 N UNK 0 -1.276 1.342 0.480 0.00 0.00 N+0 HETATM 33 C UNK 0 5.061 -0.201 -0.043 0.00 0.00 C+0 HETATM 34 O UNK 0 4.419 0.135 -1.005 0.00 0.00 O+0 HETATM 35 C UNK 0 6.473 -0.517 -0.324 0.00 0.00 C+0 HETATM 36 C UNK 0 7.317 -0.913 0.684 0.00 0.00 C+0 HETATM 37 O UNK 0 8.580 -1.191 0.406 0.00 0.00 O+0 HETATM 38 C UNK 0 9.087 -1.108 -0.808 0.00 0.00 C+0 HETATM 39 C UNK 0 10.413 -1.406 -1.068 0.00 0.00 C+0 HETATM 40 C UNK 0 10.940 -1.318 -2.340 0.00 0.00 C+0 HETATM 41 C UNK 0 10.169 -0.929 -3.415 0.00 0.00 C+0 HETATM 42 O UNK 0 10.706 -0.842 -4.692 0.00 0.00 O+0 HETATM 43 C UNK 0 8.842 -0.631 -3.152 0.00 0.00 C+0 HETATM 44 C UNK 0 8.312 -0.718 -1.881 0.00 0.00 C+0 HETATM 45 C UNK 0 6.993 -0.425 -1.608 0.00 0.00 C+0 HETATM 46 O UNK 0 6.249 -0.066 -2.553 0.00 0.00 O+0 HETATM 47 C UNK 0 6.808 -1.020 2.039 0.00 0.00 C+0 HETATM 48 O UNK 0 7.552 -1.383 3.007 0.00 0.00 O+0 HETATM 49 H UNK 0 -10.768 -1.950 -0.649 0.00 0.00 H+0 HETATM 50 H UNK 0 -9.114 -2.314 -0.109 0.00 0.00 H+0 HETATM 51 H UNK 0 -9.578 -2.387 -1.896 0.00 0.00 H+0 HETATM 52 H UNK 0 -10.077 0.188 -0.474 0.00 0.00 H+0 HETATM 53 H UNK 0 -9.030 -0.676 -3.151 0.00 0.00 H+0 HETATM 54 H UNK 0 -8.952 1.081 -2.588 0.00 0.00 H+0 HETATM 55 H UNK 0 -10.507 0.198 -2.688 0.00 0.00 H+0 HETATM 56 H UNK 0 -7.826 1.095 -0.515 0.00 0.00 H+0 HETATM 57 H UNK 0 -8.007 -0.257 0.670 0.00 0.00 H+0 HETATM 58 H UNK 0 -6.560 -0.407 -2.046 0.00 0.00 H+0 HETATM 59 H UNK 0 -7.270 -2.730 -1.563 0.00 0.00 H+0 HETATM 60 H UNK 0 -6.781 -2.442 0.211 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.575 -2.400 -1.081 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.162 -0.223 1.199 0.00 0.00 H+0 HETATM 63 H UNK 0 -2.335 -0.920 -0.205 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.437 0.701 -2.236 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.491 2.086 -1.903 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.689 2.340 -1.836 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.162 3.380 1.200 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.229 3.203 2.968 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.644 3.951 2.115 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.740 1.332 3.783 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.430 -0.084 2.870 0.00 0.00 H+0 HETATM 72 H UNK 0 1.174 0.036 4.315 0.00 0.00 H+0 HETATM 73 H UNK 0 3.273 -0.624 4.973 0.00 0.00 H+0 HETATM 74 H UNK 0 5.636 -1.135 4.407 0.00 0.00 H+0 HETATM 75 H UNK 0 2.184 0.794 -1.458 0.00 0.00 H+0 HETATM 76 H UNK 0 11.026 -1.709 -0.246 0.00 0.00 H+0 HETATM 77 H UNK 0 11.991 -1.554 -2.546 0.00 0.00 H+0 HETATM 78 H UNK 0 11.130 0.002 -5.056 0.00 0.00 H+0 HETATM 79 H UNK 0 8.228 -0.324 -3.996 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 4 52 CONECT 3 2 53 54 55 CONECT 4 2 5 56 57 CONECT 5 4 6 7 58 CONECT 6 5 59 60 61 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 7 10 CONECT 10 9 11 62 63 CONECT 11 10 12 13 32 CONECT 12 11 64 65 66 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 16 CONECT 16 15 17 18 32 CONECT 17 16 67 68 69 CONECT 18 16 19 70 71 CONECT 19 18 20 29 CONECT 20 19 21 72 CONECT 21 20 22 26 CONECT 22 21 23 73 CONECT 23 22 24 74 CONECT 24 23 25 47 CONECT 25 24 26 33 CONECT 26 25 27 21 CONECT 27 26 28 29 CONECT 28 27 75 CONECT 29 27 30 19 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 11 16 CONECT 33 25 34 35 CONECT 34 33 CONECT 35 33 36 45 CONECT 36 35 37 47 CONECT 37 36 38 CONECT 38 37 39 44 CONECT 39 38 40 76 CONECT 40 39 41 77 CONECT 41 40 42 43 CONECT 42 41 78 CONECT 43 41 44 79 CONECT 44 43 45 38 CONECT 45 44 46 35 CONECT 46 45 CONECT 47 36 48 24 CONECT 48 47 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 2 CONECT 53 3 CONECT 54 3 CONECT 55 3 CONECT 56 4 CONECT 57 4 CONECT 58 5 CONECT 59 6 CONECT 60 6 CONECT 61 6 CONECT 62 10 CONECT 63 10 CONECT 64 12 CONECT 65 12 CONECT 66 12 CONECT 67 17 CONECT 68 17 CONECT 69 17 CONECT 70 18 CONECT 71 18 CONECT 72 20 CONECT 73 22 CONECT 74 23 CONECT 75 28 CONECT 76 39 CONECT 77 40 CONECT 78 42 CONECT 79 43 MASTER 0 0 0 0 0 0 0 0 79 0 170 0 END