HEADER PROTEIN 24-NOV-20 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-NOV-20 0 HETATM 1 N UNK 0 4.916 -6.751 0.000 0.00 0.00 N+0 HETATM 2 C UNK 0 6.246 -7.521 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 7.576 -6.751 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 8.906 -7.521 0.000 0.00 0.00 C+0 HETATM 5 S UNK 0 10.236 -6.751 0.000 0.00 0.00 S+1 HETATM 6 C UNK 0 6.419 -4.417 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 7.687 -5.291 0.000 0.00 0.00 C+0 HETATM 8 S UNK 0 8.913 -4.358 0.000 0.00 0.00 S+0 HETATM 9 C UNK 0 8.400 -2.901 0.000 0.00 0.00 C+0 HETATM 10 N UNK 0 6.862 -2.944 0.000 0.00 0.00 N+0 HETATM 11 C UNK 0 9.186 -1.571 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 10.726 -1.571 0.000 0.00 0.00 C+0 HETATM 13 S UNK 0 11.205 -0.107 0.000 0.00 0.00 S+0 HETATM 14 C UNK 0 9.956 0.801 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 8.714 -0.107 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 9.940 2.341 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -12.686 -4.636 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -12.686 -6.176 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -11.357 -6.938 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 -10.028 -6.176 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 -10.028 -4.636 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -11.357 -3.858 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -8.704 -3.858 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 -11.371 -2.318 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 -14.024 -3.865 0.000 0.00 0.00 O+0 HETATM 26 O UNK 0 -11.371 -8.478 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 -14.024 -6.938 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -12.709 -9.240 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -15.362 -4.628 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 -16.699 -3.858 0.000 0.00 0.00 N+0 HETATM 31 O UNK 0 -15.370 -6.168 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 -7.366 -4.628 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -7.366 -6.168 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.037 -6.930 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.708 -6.168 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -4.708 -4.628 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -6.037 -3.850 0.000 0.00 0.00 C+0 HETATM 38 N UNK 0 -0.865 -2.438 0.000 0.00 0.00 N+0 HETATM 39 C UNK 0 -2.074 -1.466 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.366 -2.319 0.000 0.00 0.00 C+0 HETATM 41 N UNK 0 -2.956 -3.811 0.000 0.00 0.00 N+0 HETATM 42 C UNK 0 -1.410 -3.883 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.700 2.310 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 0.630 3.080 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 1.960 2.318 0.000 0.00 0.00 C+0 HETATM 46 N UNK 0 3.290 3.088 0.000 0.00 0.00 N+0 HETATM 47 C UNK 0 4.620 2.326 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 5.950 3.096 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 7.280 2.333 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 8.610 3.103 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 -6.012 0.754 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 -4.682 -0.008 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -3.352 0.762 0.000 0.00 0.00 C+0 HETATM 54 N UNK 0 -2.022 0.000 0.000 0.00 0.00 N+0 HETATM 55 C UNK 0 -0.692 0.770 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 0.638 0.008 0.000 0.00 0.00 C+0 HETATM 57 N UNK 0 -9.998 4.605 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 -10.000 3.060 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -8.665 2.289 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -7.328 3.061 0.000 0.00 0.00 C+0 HETATM 61 N UNK 0 -7.333 4.612 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 -8.669 5.375 0.000 0.00 0.00 C+0 HETATM 63 N UNK 0 -12.647 7.677 0.000 0.00 0.00 N+0 HETATM 64 C UNK 0 -11.317 6.915 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -9.987 7.685 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -8.657 6.922 0.000 0.00 0.00 C+0 HETATM 67 N UNK 0 -7.327 7.693 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 -5.997 6.930 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -4.667 7.700 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -3.337 6.938 0.000 0.00 0.00 C+0 HETATM 71 N UNK 0 -2.007 7.708 0.000 0.00 0.00 N+0 HETATM 72 O UNK 0 -11.325 5.375 0.000 0.00 0.00 O+0 HETATM 73 O UNK 0 -3.344 5.398 0.000 0.00 0.00 O+0 HETATM 74 N UNK 0 -4.675 9.240 0.000 0.00 0.00 N+0 HETATM 75 N UNK 0 -11.341 2.302 0.000 0.00 0.00 N+0 HETATM 76 C UNK 0 -8.680 0.754 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -6.005 2.295 0.000 0.00 0.00 C+0 HETATM 78 O UNK 0 -4.675 3.072 0.000 0.00 0.00 O+0 HETATM 79 O UNK 0 -3.360 2.302 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 -2.038 3.080 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 0.622 4.620 0.000 0.00 0.00 C+0 HETATM 82 O UNK 0 1.890 0.614 0.000 0.00 0.00 O+0 HETATM 83 O UNK 0 5.942 4.636 0.000 0.00 0.00 O+0 HETATM 84 C UNK 0 4.612 0.786 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 5.942 0.016 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 3.274 0.023 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -4.690 -1.548 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 -6.028 -2.310 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 -3.384 -6.938 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 -2.053 -6.160 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 -6.051 -8.470 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 -8.704 -6.930 0.000 0.00 0.00 O+0 HETATM 93 C UNK 0 4.923 -5.102 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 3.492 -4.278 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 11.566 -7.521 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 10.228 -5.211 0.000 0.00 0.00 C+0 HETATM 97 H UNK 0 15.159 -0.700 0.000 0.00 0.00 H+0 HETATM 98 Cl UNK 0 16.699 -0.700 0.000 0.00 0.00 Cl+0 CONECT 1 2 93 CONECT 2 3 1 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 95 96 CONECT 6 10 93 7 CONECT 7 8 6 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 6 CONECT 11 15 12 9 CONECT 12 13 11 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 11 CONECT 16 50 14 CONECT 17 25 18 22 CONECT 18 27 17 19 CONECT 19 26 18 20 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 17 21 24 CONECT 23 32 21 CONECT 24 22 CONECT 25 17 29 CONECT 26 19 28 CONECT 27 18 CONECT 28 26 CONECT 29 25 30 31 CONECT 30 29 CONECT 31 29 CONECT 32 33 37 23 CONECT 33 32 34 92 CONECT 34 33 35 91 CONECT 35 34 36 89 CONECT 36 35 37 CONECT 37 32 36 88 CONECT 38 39 42 CONECT 39 40 38 CONECT 40 39 41 87 CONECT 41 40 42 CONECT 42 41 38 CONECT 43 55 80 44 CONECT 44 81 43 45 CONECT 45 82 44 46 CONECT 46 45 47 CONECT 47 84 46 48 CONECT 48 83 47 49 CONECT 49 50 48 CONECT 50 49 16 CONECT 51 52 77 CONECT 52 51 53 87 CONECT 53 52 54 79 CONECT 54 53 55 CONECT 55 54 56 43 CONECT 56 55 CONECT 57 58 62 CONECT 58 57 59 75 CONECT 59 58 60 76 CONECT 60 59 61 77 CONECT 61 60 62 CONECT 62 61 57 66 CONECT 63 64 CONECT 64 63 65 72 CONECT 65 64 66 CONECT 66 65 67 62 CONECT 67 66 68 CONECT 68 67 69 CONECT 69 68 70 74 CONECT 70 69 71 73 CONECT 71 70 CONECT 72 64 CONECT 73 70 CONECT 74 69 CONECT 75 58 CONECT 76 59 CONECT 77 60 51 78 CONECT 78 77 CONECT 79 53 CONECT 80 43 CONECT 81 44 CONECT 82 45 CONECT 83 48 CONECT 84 47 85 86 CONECT 85 84 CONECT 86 84 CONECT 87 52 40 88 CONECT 88 87 37 CONECT 89 35 90 CONECT 90 89 CONECT 91 34 CONECT 92 33 CONECT 93 6 94 1 CONECT 94 93 CONECT 95 5 CONECT 96 5 CONECT 97 98 CONECT 98 97 MASTER 0 0 0 0 0 0 0 0 98 0 204 0 END