HEADER PROTEIN 22-SEP-17 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-SEP-17 0 HETATM 1 C UNK 0 -1.231 4.719 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 0.013 3.805 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 1.266 4.705 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 0.794 6.176 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 0.007 2.269 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 2.595 3.931 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.564 3.957 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 2.597 2.394 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 5.269 3.925 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 5.270 2.388 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 6.599 1.614 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 6.605 4.689 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 7.941 3.924 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 7.935 2.378 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 9.264 1.604 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 10.599 2.376 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 10.606 3.915 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 9.277 4.689 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 11.937 1.603 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 9.266 0.066 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 3.935 1.615 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 -2.566 2.415 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -5.237 3.977 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.244 2.443 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -7.907 3.991 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -6.566 4.757 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -7.909 2.449 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.583 1.677 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -6.586 0.135 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.926 -0.631 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -9.256 0.149 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -9.249 1.683 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -10.595 -0.617 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -10.579 2.463 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -6.560 6.291 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -11.921 0.155 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 11.930 0.065 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 10.595 -0.708 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 10.597 -2.245 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 11.926 -3.019 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 13.261 -2.247 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 13.268 -0.708 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -11.919 1.697 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 -13.244 2.469 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -14.584 1.703 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -14.591 0.169 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -13.261 -0.611 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 14.599 -3.020 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 15.934 -2.256 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 17.264 -3.030 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 15.932 -0.710 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 18.667 -2.398 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 19.698 -3.550 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 18.924 -4.879 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 19.547 -6.291 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 11.928 -4.557 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 13.257 -5.331 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 9.083 -1.976 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 10.065 -3.694 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -12.252 3.652 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -14.230 3.659 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 -15.929 -0.596 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 -15.931 -2.138 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 -14.606 -2.910 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 -17.271 -2.904 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -18.670 -2.272 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -19.698 -3.407 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -18.936 -4.740 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -19.576 -6.150 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 -15.914 2.483 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 -17.252 1.718 0.000 0.00 0.00 C+0 HETATM 72 N UNK 0 -0.745 6.179 0.000 0.00 0.00 N+0 HETATM 73 N UNK 0 3.934 4.693 0.000 0.00 0.00 N+0 HETATM 74 O UNK 0 6.609 6.225 0.000 0.00 0.00 O+0 HETATM 75 N UNK 0 -3.894 4.732 0.000 0.00 0.00 N+0 HETATM 76 O UNK 0 -3.904 1.649 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 14.602 0.045 0.000 0.00 0.00 O+0 HETATM 78 N UNK 0 17.416 -4.562 0.000 0.00 0.00 N+0 HETATM 79 O UNK 0 -13.260 -2.153 0.000 0.00 0.00 O+0 HETATM 80 N UNK 0 -17.426 -4.436 0.000 0.00 0.00 N+0 CONECT 1 2 7 72 CONECT 2 1 3 5 CONECT 3 2 4 6 CONECT 4 3 72 CONECT 5 2 CONECT 6 8 3 73 CONECT 7 22 1 75 CONECT 8 6 CONECT 9 10 12 73 CONECT 10 9 11 21 CONECT 11 10 14 CONECT 12 9 13 74 CONECT 13 12 14 18 CONECT 14 11 13 15 CONECT 15 14 16 20 CONECT 16 15 17 19 CONECT 17 16 18 CONECT 18 17 13 CONECT 19 16 37 CONECT 20 15 CONECT 21 10 CONECT 22 7 CONECT 23 24 26 75 CONECT 24 23 28 76 CONECT 25 27 26 CONECT 26 23 25 35 CONECT 27 25 28 32 CONECT 28 24 27 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 27 34 CONECT 33 31 36 CONECT 34 32 CONECT 35 26 CONECT 36 33 43 47 CONECT 37 19 38 42 CONECT 38 37 39 CONECT 39 38 40 58 59 CONECT 40 39 41 56 CONECT 41 40 42 48 CONECT 42 37 41 77 CONECT 43 36 44 CONECT 44 43 45 60 61 CONECT 45 44 46 70 CONECT 46 45 47 62 CONECT 47 36 46 79 CONECT 48 41 49 CONECT 49 48 50 51 CONECT 50 49 52 78 CONECT 51 49 CONECT 52 53 50 CONECT 53 52 54 CONECT 54 53 55 78 CONECT 55 54 CONECT 56 40 57 CONECT 57 56 CONECT 58 39 CONECT 59 39 CONECT 60 44 CONECT 61 44 CONECT 62 46 63 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 80 CONECT 66 67 65 CONECT 67 66 68 CONECT 68 67 69 80 CONECT 69 68 CONECT 70 45 71 CONECT 71 70 CONECT 72 1 4 CONECT 73 6 9 CONECT 74 12 CONECT 75 7 23 CONECT 76 24 CONECT 77 42 CONECT 78 54 50 CONECT 79 47 CONECT 80 68 65 MASTER 0 0 0 0 0 0 0 0 80 0 176 0 END