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 -9.124 1.688 1.509 0.00 0.00 C+0 HETATM 2 C UNK 0 -7.712 1.129 1.420 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.207 1.117 -0.027 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.780 0.585 -0.141 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.514 -0.733 -0.320 0.00 0.00 C+0 HETATM 6 Cl UNK 0 -6.798 -1.906 -0.312 0.00 0.00 Cl+0 HETATM 7 C UNK 0 -4.142 -1.199 -0.450 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.120 -0.336 -0.332 0.00 0.00 C+0 HETATM 9 C UNK 0 -3.374 1.099 -0.058 0.00 0.00 C+0 HETATM 10 O UNK 0 -2.429 1.854 0.170 0.00 0.00 O+0 HETATM 11 N UNK 0 -4.714 1.501 -0.039 0.00 0.00 N+0 HETATM 12 C UNK 0 -4.962 2.932 0.125 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.740 -0.823 -0.523 0.00 0.00 C+0 HETATM 14 O UNK 0 -0.906 -0.202 -1.164 0.00 0.00 O+0 HETATM 15 C UNK 0 -1.463 -2.172 0.003 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.475 -3.097 -0.246 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.252 -4.447 -0.020 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.015 -4.856 0.478 0.00 0.00 C+0 HETATM 19 C UNK 0 0.009 -3.934 0.803 0.00 0.00 C+0 HETATM 20 C UNK 0 1.255 -4.371 1.325 0.00 0.00 C+0 HETATM 21 O UNK 0 1.407 -5.730 1.495 0.00 0.00 O+0 HETATM 22 C UNK 0 2.609 -6.254 0.930 0.00 0.00 C+0 HETATM 23 C UNK 0 2.239 -3.451 1.714 0.00 0.00 C+0 HETATM 24 O UNK 0 3.404 -3.919 2.267 0.00 0.00 O+0 HETATM 25 C UNK 0 1.996 -2.085 1.572 0.00 0.00 C+0 HETATM 26 C UNK 0 2.994 -1.081 1.978 0.00 0.00 C+0 HETATM 27 O UNK 0 4.048 -1.425 2.509 0.00 0.00 O+0 HETATM 28 C UNK 0 2.695 0.335 1.708 0.00 0.00 C+0 HETATM 29 C UNK 0 1.462 0.637 1.267 0.00 0.00 C+0 HETATM 30 O UNK 0 0.479 -0.300 1.024 0.00 0.00 O+0 HETATM 31 C UNK 0 0.784 -1.641 1.044 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.223 -2.547 0.601 0.00 0.00 C+0 HETATM 33 C UNK 0 1.025 2.057 0.971 0.00 0.00 C+0 HETATM 34 O UNK 0 -0.176 2.334 1.688 0.00 0.00 O+0 HETATM 35 C UNK 0 2.056 3.123 1.377 0.00 0.00 C+0 HETATM 36 C UNK 0 3.478 2.647 1.070 0.00 0.00 C+0 HETATM 37 O UNK 0 3.521 2.471 -0.359 0.00 0.00 O+0 HETATM 38 C UNK 0 4.755 1.982 -0.892 0.00 0.00 C+0 HETATM 39 O UNK 0 4.722 0.564 -1.060 0.00 0.00 O+0 HETATM 40 C UNK 0 3.733 0.108 -1.994 0.00 0.00 C+0 HETATM 41 C UNK 0 3.812 -1.415 -2.033 0.00 0.00 C+0 HETATM 42 C UNK 0 3.966 0.713 -3.385 0.00 0.00 C+0 HETATM 43 O UNK 0 2.949 0.314 -4.307 0.00 0.00 O+0 HETATM 44 C UNK 0 3.983 2.237 -3.283 0.00 0.00 C+0 HETATM 45 O UNK 0 4.310 2.790 -4.571 0.00 0.00 O+0 HETATM 46 C UNK 0 5.006 2.689 -2.241 0.00 0.00 C+0 HETATM 47 O UNK 0 4.923 4.120 -2.115 0.00 0.00 O+0 HETATM 48 C UNK 0 3.745 1.385 1.939 0.00 0.00 C+0 HETATM 49 O UNK 0 5.081 0.933 1.748 0.00 0.00 O+0 HETATM 50 C UNK 0 -3.784 -2.624 -0.750 0.00 0.00 C+0 HETATM 51 O UNK 0 -4.506 -3.394 -1.365 0.00 0.00 O+0 HETATM 52 H UNK 0 -9.822 1.087 0.917 0.00 0.00 H+0 HETATM 53 H UNK 0 -9.469 1.684 2.547 0.00 0.00 H+0 HETATM 54 H UNK 0 -9.161 2.719 1.142 0.00 0.00 H+0 HETATM 55 H UNK 0 -7.708 0.113 1.833 0.00 0.00 H+0 HETATM 56 H UNK 0 -7.052 1.728 2.056 0.00 0.00 H+0 HETATM 57 H UNK 0 -7.289 2.119 -0.461 0.00 0.00 H+0 HETATM 58 H UNK 0 -7.890 0.519 -0.644 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.561 3.107 1.022 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.036 3.505 0.229 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.480 3.310 -0.762 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.023 -5.185 -0.234 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.856 -5.923 0.635 0.00 0.00 H+0 HETATM 64 H UNK 0 3.382 -6.337 1.699 0.00 0.00 H+0 HETATM 65 H UNK 0 2.968 -5.669 0.075 0.00 0.00 H+0 HETATM 66 H UNK 0 2.392 -7.265 0.571 0.00 0.00 H+0 HETATM 67 H UNK 0 3.967 -3.155 2.523 0.00 0.00 H+0 HETATM 68 H UNK 0 0.816 2.148 -0.103 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.917 2.130 1.074 0.00 0.00 H+0 HETATM 70 H UNK 0 1.958 3.371 2.441 0.00 0.00 H+0 HETATM 71 H UNK 0 1.834 4.046 0.827 0.00 0.00 H+0 HETATM 72 H UNK 0 4.199 3.433 1.327 0.00 0.00 H+0 HETATM 73 H UNK 0 5.582 2.251 -0.227 0.00 0.00 H+0 HETATM 74 H UNK 0 2.734 0.375 -1.627 0.00 0.00 H+0 HETATM 75 H UNK 0 3.040 -1.843 -2.679 0.00 0.00 H+0 HETATM 76 H UNK 0 4.793 -1.746 -2.391 0.00 0.00 H+0 HETATM 77 H UNK 0 3.692 -1.830 -1.027 0.00 0.00 H+0 HETATM 78 H UNK 0 4.924 0.368 -3.795 0.00 0.00 H+0 HETATM 79 H UNK 0 3.068 0.895 -5.085 0.00 0.00 H+0 HETATM 80 H UNK 0 2.983 2.620 -3.046 0.00 0.00 H+0 HETATM 81 H UNK 0 4.552 3.722 -4.399 0.00 0.00 H+0 HETATM 82 H UNK 0 6.014 2.455 -2.603 0.00 0.00 H+0 HETATM 83 H UNK 0 4.147 4.290 -1.545 0.00 0.00 H+0 HETATM 84 H UNK 0 3.685 1.678 2.995 0.00 0.00 H+0 HETATM 85 H UNK 0 5.139 0.024 2.107 0.00 0.00 H+0 CONECT 1 2 52 53 54 CONECT 2 3 1 55 56 CONECT 3 4 2 57 58 CONECT 4 11 5 3 CONECT 5 6 4 7 CONECT 6 5 CONECT 7 50 5 8 CONECT 8 13 9 7 CONECT 9 10 11 8 CONECT 10 9 CONECT 11 4 9 12 CONECT 12 11 59 60 61 CONECT 13 8 15 14 CONECT 14 13 CONECT 15 32 13 16 CONECT 16 17 50 15 CONECT 17 16 18 62 CONECT 18 19 17 63 CONECT 19 18 32 20 CONECT 20 21 19 23 CONECT 21 20 22 CONECT 22 21 64 65 66 CONECT 23 24 25 20 CONECT 24 23 67 CONECT 25 31 26 23 CONECT 26 25 28 27 CONECT 27 26 CONECT 28 26 29 48 CONECT 29 30 28 33 CONECT 30 31 29 CONECT 31 25 30 32 CONECT 32 15 19 31 CONECT 33 29 35 34 68 CONECT 34 33 69 CONECT 35 33 36 70 71 CONECT 36 35 48 37 72 CONECT 37 36 38 CONECT 38 46 39 37 73 CONECT 39 40 38 CONECT 40 42 39 41 74 CONECT 41 40 75 76 77 CONECT 42 44 40 43 78 CONECT 43 42 79 CONECT 44 46 42 45 80 CONECT 45 44 81 CONECT 46 38 44 47 82 CONECT 47 46 83 CONECT 48 28 36 49 84 CONECT 49 48 85 CONECT 50 7 16 51 CONECT 51 50 CONECT 52 1 CONECT 53 1 CONECT 54 1 CONECT 55 2 CONECT 56 2 CONECT 57 3 CONECT 58 3 CONECT 59 12 CONECT 60 12 CONECT 61 12 CONECT 62 17 CONECT 63 18 CONECT 64 22 CONECT 65 22 CONECT 66 22 CONECT 67 24 CONECT 68 33 CONECT 69 34 CONECT 70 35 CONECT 71 35 CONECT 72 36 CONECT 73 38 CONECT 74 40 CONECT 75 41 CONECT 76 41 CONECT 77 41 CONECT 78 42 CONECT 79 43 CONECT 80 44 CONECT 81 45 CONECT 82 46 CONECT 83 47 CONECT 84 48 CONECT 85 49 MASTER 0 0 0 0 0 0 0 0 85 0 182 0 END