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 4.719 -2.257 2.229 0.00 0.00 C+0 HETATM 2 C UNK 0 4.478 -0.976 1.389 0.00 0.00 C+0 HETATM 3 C UNK 0 5.800 -0.210 1.550 0.00 0.00 C+0 HETATM 4 C UNK 0 4.361 -1.427 -0.007 0.00 0.00 C+0 HETATM 5 N UNK 0 4.098 -0.458 -1.027 0.00 0.00 N+0 HETATM 6 C UNK 0 3.656 0.864 -0.963 0.00 0.00 C+0 HETATM 7 O UNK 0 2.440 1.069 -1.338 0.00 0.00 O+0 HETATM 8 C UNK 0 4.354 2.085 -0.537 0.00 0.00 C+0 HETATM 9 N UNK 0 3.758 2.793 0.568 0.00 0.00 N+0 HETATM 10 C UNK 0 3.109 4.046 0.521 0.00 0.00 C+0 HETATM 11 O UNK 0 3.527 4.995 1.300 0.00 0.00 O+0 HETATM 12 C UNK 0 1.960 4.393 -0.361 0.00 0.00 C+0 HETATM 13 C UNK 0 1.860 5.486 -1.204 0.00 0.00 C+0 HETATM 14 S UNK 0 0.303 5.270 -1.872 0.00 0.00 S+0 HETATM 15 C UNK 0 -0.130 3.837 -1.064 0.00 0.00 C+0 HETATM 16 N UNK 0 0.935 3.598 -0.329 0.00 0.00 N+0 HETATM 17 C UNK 0 -1.341 2.904 -0.999 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.116 3.415 0.205 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.608 4.813 -0.190 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.236 3.597 1.413 0.00 0.00 C+0 HETATM 21 O UNK 0 -3.212 2.687 0.549 0.00 0.00 O+0 HETATM 22 O UNK 0 -0.823 1.646 -0.894 0.00 0.00 O+0 HETATM 23 C UNK 0 -0.983 0.440 -1.476 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.457 -0.015 -2.524 0.00 0.00 O+0 HETATM 25 C UNK 0 -1.924 -0.529 -0.789 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.321 -0.028 -1.195 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.788 -0.271 0.687 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.685 -1.937 -1.220 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.750 -2.941 -0.117 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.043 -3.070 0.620 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.148 -3.512 -0.337 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.463 -3.661 0.448 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.861 -2.349 1.088 0.00 0.00 C+0 HETATM 34 Cl UNK 0 -5.315 -4.881 1.704 0.00 0.00 Cl+0 HETATM 35 Cl UNK 0 -6.771 -4.111 -0.668 0.00 0.00 Cl+0 HETATM 36 O UNK 0 -0.534 -2.106 -2.039 0.00 0.00 O+0 HETATM 37 C UNK 0 0.311 -3.183 -2.127 0.00 0.00 C+0 HETATM 38 O UNK 0 0.224 -4.126 -3.005 0.00 0.00 O+0 HETATM 39 C UNK 0 1.472 -3.397 -1.189 0.00 0.00 C+0 HETATM 40 C UNK 0 1.734 -4.562 -0.498 0.00 0.00 C+0 HETATM 41 S UNK 0 3.179 -4.148 0.357 0.00 0.00 S+0 HETATM 42 C UNK 0 3.358 -2.550 -0.208 0.00 0.00 C+0 HETATM 43 N UNK 0 2.327 -2.418 -1.001 0.00 0.00 N+0 HETATM 44 H UNK 0 5.191 -1.891 3.170 0.00 0.00 H+0 HETATM 45 H UNK 0 5.466 -2.874 1.694 0.00 0.00 H+0 HETATM 46 H UNK 0 3.763 -2.756 2.408 0.00 0.00 H+0 HETATM 47 H UNK 0 3.634 -0.472 1.844 0.00 0.00 H+0 HETATM 48 H UNK 0 5.591 0.799 1.903 0.00 0.00 H+0 HETATM 49 H UNK 0 6.270 -0.122 0.550 0.00 0.00 H+0 HETATM 50 H UNK 0 6.521 -0.750 2.200 0.00 0.00 H+0 HETATM 51 H UNK 0 5.395 -1.848 -0.270 0.00 0.00 H+0 HETATM 52 H UNK 0 4.263 -0.868 -2.023 0.00 0.00 H+0 HETATM 53 H UNK 0 4.412 2.777 -1.449 0.00 0.00 H+0 HETATM 54 H UNK 0 5.436 1.940 -0.298 0.00 0.00 H+0 HETATM 55 H UNK 0 3.836 2.329 1.519 0.00 0.00 H+0 HETATM 56 H UNK 0 2.613 6.273 -1.363 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.965 3.149 -1.874 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.104 5.606 0.396 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.696 4.932 0.004 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.446 5.036 -1.245 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.451 2.820 1.490 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.819 4.625 1.482 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.878 3.486 2.323 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.952 3.271 0.866 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.284 0.991 -1.573 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.984 -0.211 -0.351 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.685 -0.689 -2.039 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.089 0.616 0.803 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.297 -1.067 1.258 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.724 0.093 1.164 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.594 -2.169 -1.876 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.869 -2.884 0.570 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.600 -3.943 -0.618 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.913 -3.839 1.425 0.00 0.00 H+0 HETATM 75 H UNK 0 -3.411 -2.119 1.055 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.295 -2.820 -1.182 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.943 -4.514 -0.765 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.271 -2.191 2.007 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.857 -1.514 0.384 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.921 -2.499 1.436 0.00 0.00 H+0 HETATM 81 H UNK 0 1.196 -5.515 -0.477 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 4 47 CONECT 3 2 48 49 50 CONECT 4 2 5 42 51 CONECT 5 4 6 52 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 53 54 CONECT 9 8 10 55 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 16 CONECT 13 12 14 56 CONECT 14 13 15 CONECT 15 14 16 17 CONECT 16 15 12 CONECT 17 15 18 22 57 CONECT 18 17 19 20 21 CONECT 19 18 58 59 60 CONECT 20 18 61 62 63 CONECT 21 18 64 CONECT 22 17 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 27 28 CONECT 26 25 65 66 67 CONECT 27 25 68 69 70 CONECT 28 25 29 36 71 CONECT 29 28 30 72 73 CONECT 30 29 31 74 75 CONECT 31 30 32 76 77 CONECT 32 31 33 34 35 CONECT 33 32 78 79 80 CONECT 34 32 CONECT 35 32 CONECT 36 28 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 43 CONECT 40 39 41 81 CONECT 41 40 42 CONECT 42 41 43 4 CONECT 43 42 39 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 2 CONECT 48 3 CONECT 49 3 CONECT 50 3 CONECT 51 4 CONECT 52 5 CONECT 53 8 CONECT 54 8 CONECT 55 9 CONECT 56 13 CONECT 57 17 CONECT 58 19 CONECT 59 19 CONECT 60 19 CONECT 61 20 CONECT 62 20 CONECT 63 20 CONECT 64 21 CONECT 65 26 CONECT 66 26 CONECT 67 26 CONECT 68 27 CONECT 69 27 CONECT 70 27 CONECT 71 28 CONECT 72 29 CONECT 73 29 CONECT 74 30 CONECT 75 30 CONECT 76 31 CONECT 77 31 CONECT 78 33 CONECT 79 33 CONECT 80 33 CONECT 81 40 MASTER 0 0 0 0 0 0 0 0 81 0 166 0 END