HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 12.281 -2.527 1.770 0.00 0.00 C+0 HETATM 2 C UNK 0 11.574 -1.174 1.781 0.00 0.00 C+0 HETATM 3 C UNK 0 10.263 -1.307 1.080 0.00 0.00 C+0 HETATM 4 C UNK 0 10.430 -1.748 -0.367 0.00 0.00 C+0 HETATM 5 C UNK 0 9.472 -0.033 1.086 0.00 0.00 C+0 HETATM 6 N UNK 0 8.216 -0.320 0.371 0.00 0.00 N+0 HETATM 7 C UNK 0 6.966 0.037 0.913 0.00 0.00 C+0 HETATM 8 O UNK 0 6.995 0.621 2.047 0.00 0.00 O+0 HETATM 9 C UNK 0 5.701 -0.222 0.260 0.00 0.00 C+0 HETATM 10 N UNK 0 4.512 0.302 0.715 0.00 0.00 N+0 HETATM 11 C UNK 0 3.525 -0.116 -0.072 0.00 0.00 C+0 HETATM 12 C UNK 0 2.071 0.225 0.070 0.00 0.00 C+0 HETATM 13 C UNK 0 1.616 1.070 1.064 0.00 0.00 C+0 HETATM 14 S UNK 0 -0.054 1.125 0.730 0.00 0.00 S+0 HETATM 15 C UNK 0 -0.080 0.088 -0.633 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.236 -0.323 -1.452 0.00 0.00 C+0 HETATM 17 N UNK 0 -2.508 0.053 -1.273 0.00 0.00 N+0 HETATM 18 C UNK 0 -3.294 -0.531 -2.227 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.733 -0.359 -2.358 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.528 -0.947 -3.312 0.00 0.00 C+0 HETATM 21 O UNK 0 -6.768 -0.554 -3.107 0.00 0.00 O+0 HETATM 22 C UNK 0 -6.853 0.257 -2.079 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.060 0.920 -1.520 0.00 0.00 C+0 HETATM 24 N UNK 0 -7.974 0.813 -0.067 0.00 0.00 N+0 HETATM 25 C UNK 0 -9.030 0.277 0.704 0.00 0.00 C+0 HETATM 26 O UNK 0 -10.098 -0.128 0.132 0.00 0.00 O+0 HETATM 27 C UNK 0 -8.945 0.167 2.146 0.00 0.00 C+0 HETATM 28 N UNK 0 -9.947 -0.330 2.838 0.00 0.00 N+0 HETATM 29 O UNK 0 -11.045 -0.726 2.127 0.00 0.00 O+0 HETATM 30 C UNK 0 -12.106 -1.481 2.628 0.00 0.00 C+0 HETATM 31 C UNK 0 -7.715 0.600 2.842 0.00 0.00 C+0 HETATM 32 C UNK 0 -6.495 -0.192 2.477 0.00 0.00 C+0 HETATM 33 C UNK 0 -7.976 0.569 4.335 0.00 0.00 C+0 HETATM 34 C UNK 0 -7.934 2.404 -1.899 0.00 0.00 C+0 HETATM 35 C UNK 0 -7.874 2.560 -3.401 0.00 0.00 C+0 HETATM 36 C UNK 0 -9.101 3.182 -1.296 0.00 0.00 C+0 HETATM 37 N UNK 0 -5.573 0.374 -1.614 0.00 0.00 N+0 HETATM 38 O UNK 0 -2.478 -1.241 -2.955 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.231 -1.155 -2.538 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.029 -1.840 -3.138 0.00 0.00 C+0 HETATM 41 N UNK 0 1.189 -0.241 -0.752 0.00 0.00 N+0 HETATM 42 O UNK 0 4.074 -0.872 -0.981 0.00 0.00 O+0 HETATM 43 C UNK 0 5.373 -0.974 -0.837 0.00 0.00 C+0 HETATM 44 C UNK 0 6.310 -1.764 -1.707 0.00 0.00 C+0 HETATM 45 C UNK 0 10.158 1.081 0.372 0.00 0.00 C+0 HETATM 46 O UNK 0 9.639 1.575 -0.673 0.00 0.00 O+0 HETATM 47 O UNK 0 11.342 1.614 0.789 0.00 0.00 O+0 HETATM 48 C UNK 0 12.025 2.667 0.148 0.00 0.00 C+0 HETATM 49 H UNK 0 12.817 -2.660 2.717 0.00 0.00 H+0 HETATM 50 H UNK 0 11.511 -3.304 1.685 0.00 0.00 H+0 HETATM 51 H UNK 0 12.998 -2.559 0.909 0.00 0.00 H+0 HETATM 52 H UNK 0 11.385 -0.895 2.842 0.00 0.00 H+0 HETATM 53 H UNK 0 12.229 -0.423 1.336 0.00 0.00 H+0 HETATM 54 H UNK 0 9.707 -2.139 1.592 0.00 0.00 H+0 HETATM 55 H UNK 0 10.198 -0.895 -1.040 0.00 0.00 H+0 HETATM 56 H UNK 0 11.477 -2.046 -0.606 0.00 0.00 H+0 HETATM 57 H UNK 0 9.705 -2.556 -0.619 0.00 0.00 H+0 HETATM 58 H UNK 0 9.236 0.313 2.111 0.00 0.00 H+0 HETATM 59 H UNK 0 8.251 -0.789 -0.552 0.00 0.00 H+0 HETATM 60 H UNK 0 2.222 1.557 1.848 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.255 -1.620 -4.117 0.00 0.00 H+0 HETATM 62 H UNK 0 -8.948 0.472 -1.945 0.00 0.00 H+0 HETATM 63 H UNK 0 -7.119 1.140 0.430 0.00 0.00 H+0 HETATM 64 H UNK 0 -12.033 -2.563 2.393 0.00 0.00 H+0 HETATM 65 H UNK 0 -13.052 -1.143 2.115 0.00 0.00 H+0 HETATM 66 H UNK 0 -12.300 -1.324 3.709 0.00 0.00 H+0 HETATM 67 H UNK 0 -7.566 1.672 2.563 0.00 0.00 H+0 HETATM 68 H UNK 0 -6.184 -0.868 3.312 0.00 0.00 H+0 HETATM 69 H UNK 0 -6.695 -0.867 1.625 0.00 0.00 H+0 HETATM 70 H UNK 0 -5.663 0.477 2.186 0.00 0.00 H+0 HETATM 71 H UNK 0 -7.270 1.239 4.827 0.00 0.00 H+0 HETATM 72 H UNK 0 -7.858 -0.474 4.671 0.00 0.00 H+0 HETATM 73 H UNK 0 -8.992 0.990 4.500 0.00 0.00 H+0 HETATM 74 H UNK 0 -7.010 2.845 -1.478 0.00 0.00 H+0 HETATM 75 H UNK 0 -8.478 3.408 -3.762 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.843 2.692 -3.789 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.216 1.589 -3.843 0.00 0.00 H+0 HETATM 78 H UNK 0 -8.977 4.269 -1.450 0.00 0.00 H+0 HETATM 79 H UNK 0 -10.057 2.881 -1.753 0.00 0.00 H+0 HETATM 80 H UNK 0 -9.061 3.014 -0.208 0.00 0.00 H+0 HETATM 81 H UNK 0 0.627 -1.013 -3.509 0.00 0.00 H+0 HETATM 82 H UNK 0 0.495 -2.465 -2.407 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.374 -2.389 -4.035 0.00 0.00 H+0 HETATM 84 H UNK 0 6.876 -1.119 -2.397 0.00 0.00 H+0 HETATM 85 H UNK 0 5.637 -2.361 -2.413 0.00 0.00 H+0 HETATM 86 H UNK 0 6.866 -2.531 -1.174 0.00 0.00 H+0 HETATM 87 H UNK 0 12.735 2.334 -0.610 0.00 0.00 H+0 HETATM 88 H UNK 0 11.309 3.416 -0.283 0.00 0.00 H+0 HETATM 89 H UNK 0 12.607 3.218 0.927 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 52 53 CONECT 3 2 4 5 54 CONECT 4 3 55 56 57 CONECT 5 3 6 45 58 CONECT 6 5 7 59 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 43 CONECT 10 9 11 CONECT 11 10 12 42 CONECT 12 11 13 41 CONECT 13 12 14 60 CONECT 14 13 15 CONECT 15 14 16 41 CONECT 16 15 17 39 CONECT 17 16 18 CONECT 18 17 19 38 CONECT 19 18 20 37 CONECT 20 19 21 61 CONECT 21 20 22 CONECT 22 21 23 37 CONECT 23 22 24 34 62 CONECT 24 23 25 63 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 31 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 64 65 66 CONECT 31 27 32 33 67 CONECT 32 31 68 69 70 CONECT 33 31 71 72 73 CONECT 34 23 35 36 74 CONECT 35 34 75 76 77 CONECT 36 34 78 79 80 CONECT 37 22 19 CONECT 38 18 39 CONECT 39 38 40 16 CONECT 40 39 81 82 83 CONECT 41 15 12 CONECT 42 11 43 CONECT 43 42 44 9 CONECT 44 43 84 85 86 CONECT 45 5 46 47 CONECT 46 45 CONECT 47 45 48 CONECT 48 47 87 88 89 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 2 CONECT 53 2 CONECT 54 3 CONECT 55 4 CONECT 56 4 CONECT 57 4 CONECT 58 5 CONECT 59 6 CONECT 60 13 CONECT 61 20 CONECT 62 23 CONECT 63 24 CONECT 64 30 CONECT 65 30 CONECT 66 30 CONECT 67 31 CONECT 68 32 CONECT 69 32 CONECT 70 32 CONECT 71 33 CONECT 72 33 CONECT 73 33 CONECT 74 34 CONECT 75 35 CONECT 76 35 CONECT 77 35 CONECT 78 36 CONECT 79 36 CONECT 80 36 CONECT 81 40 CONECT 82 40 CONECT 83 40 CONECT 84 44 CONECT 85 44 CONECT 86 44 CONECT 87 48 CONECT 88 48 CONECT 89 48 MASTER 0 0 0 0 0 0 0 0 89 0 184 0 END