HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -4.311 0.574 1.240 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.254 0.180 2.227 0.00 0.00 C+0 HETATM 3 O UNK 0 -2.761 0.941 3.050 0.00 0.00 O+0 HETATM 4 O UNK 0 -2.927 -1.131 2.054 0.00 0.00 O+0 HETATM 5 C UNK 0 -1.888 -1.628 2.907 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.063 -2.679 2.156 0.00 0.00 C+0 HETATM 7 C UNK 0 0.045 -3.251 3.025 0.00 0.00 C+0 HETATM 8 C UNK 0 0.509 -4.664 2.855 0.00 0.00 C+0 HETATM 9 C UNK 0 1.247 -3.538 2.158 0.00 0.00 C+0 HETATM 10 C UNK 0 0.935 -3.067 0.731 0.00 0.00 C+0 HETATM 11 C UNK 0 0.589 -4.321 -0.117 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.268 -2.088 0.971 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.025 -1.775 -0.319 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.025 -1.609 -1.428 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.163 -1.920 -2.720 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.290 -2.363 -3.573 0.00 0.00 C+0 HETATM 17 O UNK 0 -2.528 -2.238 -2.887 0.00 0.00 O+0 HETATM 18 C UNK 0 1.176 -1.813 -3.309 0.00 0.00 C+0 HETATM 19 O UNK 0 1.445 -2.024 -4.477 0.00 0.00 O+0 HETATM 20 O UNK 0 2.072 -1.450 -2.353 0.00 0.00 O+0 HETATM 21 C UNK 0 1.391 -1.239 -1.101 0.00 0.00 C+0 HETATM 22 C UNK 0 1.587 0.243 -0.785 0.00 0.00 C+0 HETATM 23 C UNK 0 2.698 0.661 -0.153 0.00 0.00 C+0 HETATM 24 C UNK 0 3.734 -0.289 0.383 0.00 0.00 C+0 HETATM 25 O UNK 0 4.630 -0.680 -0.638 0.00 0.00 O+0 HETATM 26 C UNK 0 3.007 -1.502 0.963 0.00 0.00 C+0 HETATM 27 C UNK 0 2.044 -2.229 -0.024 0.00 0.00 C+0 HETATM 28 C UNK 0 4.487 0.479 1.446 0.00 0.00 C+0 HETATM 29 C UNK 0 5.420 1.611 1.104 0.00 0.00 C+0 HETATM 30 C UNK 0 3.985 1.899 1.482 0.00 0.00 C+0 HETATM 31 C UNK 0 2.875 2.068 0.437 0.00 0.00 C+0 HETATM 32 C UNK 0 3.309 3.102 -0.616 0.00 0.00 C+0 HETATM 33 C UNK 0 1.518 2.459 1.118 0.00 0.00 C+0 HETATM 34 O UNK 0 1.515 3.832 1.539 0.00 0.00 O+0 HETATM 35 C UNK 0 0.269 2.118 0.229 0.00 0.00 C+0 HETATM 36 O UNK 0 -0.724 1.443 0.989 0.00 0.00 O+0 HETATM 37 O UNK 0 -0.317 3.285 -0.332 0.00 0.00 O+0 HETATM 38 C UNK 0 -0.568 3.052 -1.649 0.00 0.00 C+0 HETATM 39 O UNK 0 -1.178 3.809 -2.383 0.00 0.00 O+0 HETATM 40 C UNK 0 0.096 1.810 -2.075 0.00 0.00 C+0 HETATM 41 C UNK 0 0.286 1.508 -3.511 0.00 0.00 C+0 HETATM 42 C UNK 0 0.593 1.276 -0.958 0.00 0.00 C+0 HETATM 43 H UNK 0 -5.195 -0.054 1.371 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.920 0.483 0.223 0.00 0.00 H+0 HETATM 45 H UNK 0 -4.596 1.616 1.412 0.00 0.00 H+0 HETATM 46 H UNK 0 -1.231 -0.827 3.266 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.364 -2.088 3.781 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.725 -3.477 1.799 0.00 0.00 H+0 HETATM 49 H UNK 0 0.209 -2.745 3.967 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.111 -5.351 2.294 0.00 0.00 H+0 HETATM 51 H UNK 0 1.000 -5.138 3.700 0.00 0.00 H+0 HETATM 52 H UNK 0 2.240 -3.334 2.529 0.00 0.00 H+0 HETATM 53 H UNK 0 0.568 -4.131 -1.191 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.386 -4.741 0.152 0.00 0.00 H+0 HETATM 55 H UNK 0 1.342 -5.103 0.039 0.00 0.00 H+0 HETATM 56 H UNK 0 0.150 -1.140 1.344 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.723 -2.589 -0.541 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.610 -0.857 -0.209 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.159 -3.410 -3.865 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.347 -1.748 -4.477 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.222 -2.507 -3.513 0.00 0.00 H+0 HETATM 62 H UNK 0 4.142 -0.731 -1.478 0.00 0.00 H+0 HETATM 63 H UNK 0 2.448 -1.172 1.849 0.00 0.00 H+0 HETATM 64 H UNK 0 3.752 -2.229 1.313 0.00 0.00 H+0 HETATM 65 H UNK 0 2.682 -2.941 -0.570 0.00 0.00 H+0 HETATM 66 H UNK 0 4.658 -0.058 2.368 0.00 0.00 H+0 HETATM 67 H UNK 0 5.746 1.706 0.075 0.00 0.00 H+0 HETATM 68 H UNK 0 6.193 1.861 1.824 0.00 0.00 H+0 HETATM 69 H UNK 0 3.802 2.390 2.429 0.00 0.00 H+0 HETATM 70 H UNK 0 2.502 3.362 -1.305 0.00 0.00 H+0 HETATM 71 H UNK 0 3.644 4.030 -0.138 0.00 0.00 H+0 HETATM 72 H UNK 0 4.141 2.734 -1.226 0.00 0.00 H+0 HETATM 73 H UNK 0 1.435 1.873 2.045 0.00 0.00 H+0 HETATM 74 H UNK 0 1.003 4.343 0.882 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.857 1.958 1.807 0.00 0.00 H+0 HETATM 76 H UNK 0 0.419 2.428 -4.090 0.00 0.00 H+0 HETATM 77 H UNK 0 1.179 0.903 -3.681 0.00 0.00 H+0 HETATM 78 H UNK 0 -0.584 0.979 -3.910 0.00 0.00 H+0 CONECT 1 2 43 44 45 CONECT 2 4 3 1 CONECT 3 2 CONECT 4 5 2 CONECT 5 6 4 46 47 CONECT 6 7 12 48 5 CONECT 7 6 9 8 49 CONECT 8 9 7 50 51 CONECT 9 10 7 8 52 CONECT 10 9 11 27 12 CONECT 11 10 53 54 55 CONECT 12 6 13 56 10 CONECT 13 12 14 57 58 CONECT 14 21 13 15 CONECT 15 16 14 18 CONECT 16 15 17 59 60 CONECT 17 16 61 CONECT 18 15 20 19 CONECT 19 18 CONECT 20 18 21 CONECT 21 14 27 20 22 CONECT 22 23 42 21 CONECT 23 22 24 31 CONECT 24 26 23 28 25 CONECT 25 24 62 CONECT 26 27 24 63 64 CONECT 27 26 10 21 65 CONECT 28 24 30 29 66 CONECT 29 30 28 67 68 CONECT 30 31 28 29 69 CONECT 31 30 32 33 23 CONECT 32 31 70 71 72 CONECT 33 35 34 31 73 CONECT 34 33 74 CONECT 35 42 33 37 36 CONECT 36 35 75 CONECT 37 38 35 CONECT 38 40 39 37 CONECT 39 38 CONECT 40 42 38 41 CONECT 41 40 76 77 78 CONECT 42 35 40 22 CONECT 43 1 CONECT 44 1 CONECT 45 1 CONECT 46 5 CONECT 47 5 CONECT 48 6 CONECT 49 7 CONECT 50 8 CONECT 51 8 CONECT 52 9 CONECT 53 11 CONECT 54 11 CONECT 55 11 CONECT 56 12 CONECT 57 13 CONECT 58 13 CONECT 59 16 CONECT 60 16 CONECT 61 17 CONECT 62 25 CONECT 63 26 CONECT 64 26 CONECT 65 27 CONECT 66 28 CONECT 67 29 CONECT 68 29 CONECT 69 30 CONECT 70 32 CONECT 71 32 CONECT 72 32 CONECT 73 33 CONECT 74 34 CONECT 75 36 CONECT 76 41 CONECT 77 41 CONECT 78 41 MASTER 0 0 0 0 0 0 0 0 78 0 172 0 END