HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 -0.651 -5.516 1.412 0.00 0.00 C+0 HETATM 2 O UNK 0 0.578 -4.793 1.335 0.00 0.00 O+0 HETATM 3 C UNK 0 0.539 -3.716 0.507 0.00 0.00 C+0 HETATM 4 O UNK 0 -0.425 -3.367 -0.160 0.00 0.00 O+0 HETATM 5 C UNK 0 1.883 -3.017 0.486 0.00 0.00 C+0 HETATM 6 C UNK 0 1.769 -1.468 0.436 0.00 0.00 C+0 HETATM 7 C UNK 0 1.547 -0.785 1.847 0.00 0.00 C+0 HETATM 8 C UNK 0 0.381 -1.454 2.619 0.00 0.00 C+0 HETATM 9 C UNK 0 2.784 -0.923 2.773 0.00 0.00 C+0 HETATM 10 C UNK 0 1.221 0.751 1.643 0.00 0.00 C+0 HETATM 11 O UNK 0 -0.215 0.899 1.450 0.00 0.00 O+0 HETATM 12 C UNK 0 -0.864 1.775 2.260 0.00 0.00 C+0 HETATM 13 O UNK 0 -0.380 2.409 3.180 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.278 1.889 1.848 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.925 0.951 1.040 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.252 1.163 0.672 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.893 2.298 1.144 0.00 0.00 C+0 HETATM 18 N UNK 0 -4.303 3.212 1.946 0.00 0.00 N+0 HETATM 19 C UNK 0 -3.008 2.987 2.281 0.00 0.00 C+0 HETATM 20 C UNK 0 1.952 1.438 0.443 0.00 0.00 C+0 HETATM 21 O UNK 0 2.263 2.779 0.807 0.00 0.00 O+0 HETATM 22 C UNK 0 3.208 0.621 0.165 0.00 0.00 C+0 HETATM 23 O UNK 0 4.338 1.084 0.319 0.00 0.00 O+0 HETATM 24 C UNK 0 2.932 -0.785 -0.400 0.00 0.00 C+0 HETATM 25 C UNK 0 4.265 -1.565 -0.361 0.00 0.00 C+0 HETATM 26 C UNK 0 2.504 -0.497 -1.884 0.00 0.00 C+0 HETATM 27 C UNK 0 2.208 -1.733 -2.736 0.00 0.00 C+0 HETATM 28 C UNK 0 1.882 -1.288 -4.160 0.00 0.00 C+0 HETATM 29 C UNK 0 0.574 -0.453 -4.264 0.00 0.00 C+0 HETATM 30 C UNK 0 0.814 0.668 -5.307 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.617 -1.387 -4.699 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.608 -1.824 -6.139 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.041 -3.014 -6.686 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.294 -2.988 -8.037 0.00 0.00 C+0 HETATM 35 O UNK 0 -0.992 -1.873 -8.364 0.00 0.00 O+0 HETATM 36 C UNK 0 -1.192 -1.182 -7.215 0.00 0.00 C+0 HETATM 37 O UNK 0 -1.888 -0.773 -4.396 0.00 0.00 O+0 HETATM 38 C UNK 0 -2.150 -0.503 -3.095 0.00 0.00 C+0 HETATM 39 O UNK 0 -3.279 -0.274 -2.681 0.00 0.00 O+0 HETATM 40 C UNK 0 -0.942 -0.501 -2.204 0.00 0.00 C+0 HETATM 41 C UNK 0 0.188 0.248 -2.915 0.00 0.00 C+0 HETATM 42 C UNK 0 1.348 0.501 -1.965 0.00 0.00 C+0 HETATM 43 O UNK 0 1.836 1.857 -2.014 0.00 0.00 O+0 HETATM 44 C UNK 0 1.126 1.497 -0.823 0.00 0.00 C+0 HETATM 45 H UNK 0 -1.452 -4.872 1.790 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.514 -6.345 2.113 0.00 0.00 H+0 HETATM 47 H UNK 0 -0.914 -5.928 0.433 0.00 0.00 H+0 HETATM 48 H UNK 0 2.486 -3.340 1.340 0.00 0.00 H+0 HETATM 49 H UNK 0 2.362 -3.415 -0.413 0.00 0.00 H+0 HETATM 50 H UNK 0 0.838 -1.258 -0.102 0.00 0.00 H+0 HETATM 51 H UNK 0 -0.525 -1.526 2.009 0.00 0.00 H+0 HETATM 52 H UNK 0 0.642 -2.463 2.954 0.00 0.00 H+0 HETATM 53 H UNK 0 0.130 -0.881 3.520 0.00 0.00 H+0 HETATM 54 H UNK 0 2.574 -0.492 3.760 0.00 0.00 H+0 HETATM 55 H UNK 0 3.672 -0.411 2.398 0.00 0.00 H+0 HETATM 56 H UNK 0 3.054 -1.970 2.938 0.00 0.00 H+0 HETATM 57 H UNK 0 1.518 1.267 2.565 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.418 0.057 0.693 0.00 0.00 H+0 HETATM 59 H UNK 0 -4.772 0.461 0.027 0.00 0.00 H+0 HETATM 60 H UNK 0 -5.926 2.507 0.882 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.564 3.748 2.920 0.00 0.00 H+0 HETATM 62 H UNK 0 3.011 3.051 0.241 0.00 0.00 H+0 HETATM 63 H UNK 0 5.062 -1.014 -0.875 0.00 0.00 H+0 HETATM 64 H UNK 0 4.603 -1.728 0.667 0.00 0.00 H+0 HETATM 65 H UNK 0 4.208 -2.541 -0.849 0.00 0.00 H+0 HETATM 66 H UNK 0 3.364 -0.002 -2.363 0.00 0.00 H+0 HETATM 67 H UNK 0 3.085 -2.388 -2.773 0.00 0.00 H+0 HETATM 68 H UNK 0 1.384 -2.326 -2.332 0.00 0.00 H+0 HETATM 69 H UNK 0 1.840 -2.174 -4.801 0.00 0.00 H+0 HETATM 70 H UNK 0 2.733 -0.705 -4.536 0.00 0.00 H+0 HETATM 71 H UNK 0 1.556 1.388 -4.943 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.108 1.222 -5.518 0.00 0.00 H+0 HETATM 73 H UNK 0 1.196 0.270 -6.253 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.575 -2.313 -4.106 0.00 0.00 H+0 HETATM 75 H UNK 0 0.487 -3.798 -6.161 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.064 -3.653 -8.858 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.758 -0.266 -7.316 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.208 0.015 -1.278 0.00 0.00 H+0 HETATM 79 H UNK 0 -0.685 -1.529 -1.944 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.237 1.232 -3.168 0.00 0.00 H+0 HETATM 81 H UNK 0 0.171 1.989 -0.691 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 3 1 CONECT 3 5 4 2 CONECT 4 3 CONECT 5 6 3 48 49 CONECT 6 5 7 50 24 CONECT 7 8 6 9 10 CONECT 8 7 51 52 53 CONECT 9 7 54 55 56 CONECT 10 11 7 20 57 CONECT 11 12 10 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 15 12 19 CONECT 15 14 16 58 CONECT 16 15 17 59 CONECT 17 16 18 60 CONECT 18 17 19 CONECT 19 18 14 61 CONECT 20 10 21 22 44 CONECT 21 20 62 CONECT 22 23 20 24 CONECT 23 22 CONECT 24 6 25 22 26 CONECT 25 24 63 64 65 CONECT 26 42 27 24 66 CONECT 27 26 28 67 68 CONECT 28 29 27 69 70 CONECT 29 31 30 28 41 CONECT 30 29 71 72 73 CONECT 31 29 37 32 74 CONECT 32 31 36 33 CONECT 33 34 32 75 CONECT 34 35 33 76 CONECT 35 36 34 CONECT 36 32 35 77 CONECT 37 38 31 CONECT 38 40 37 39 CONECT 39 38 CONECT 40 41 38 78 79 CONECT 41 40 80 42 29 CONECT 42 44 26 41 43 CONECT 43 42 44 CONECT 44 42 43 20 81 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 5 CONECT 49 5 CONECT 50 6 CONECT 51 8 CONECT 52 8 CONECT 53 8 CONECT 54 9 CONECT 55 9 CONECT 56 9 CONECT 57 10 CONECT 58 15 CONECT 59 16 CONECT 60 17 CONECT 61 19 CONECT 62 21 CONECT 63 25 CONECT 64 25 CONECT 65 25 CONECT 66 26 CONECT 67 27 CONECT 68 27 CONECT 69 28 CONECT 70 28 CONECT 71 30 CONECT 72 30 CONECT 73 30 CONECT 74 31 CONECT 75 33 CONECT 76 34 CONECT 77 36 CONECT 78 40 CONECT 79 40 CONECT 80 41 CONECT 81 44 MASTER 0 0 0 0 0 0 0 0 81 0 174 0 END