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 0.154 -2.335 -1.222 0.00 0.00 C+0 HETATM 2 O UNK 0 -0.390 -1.019 -1.171 0.00 0.00 O+0 HETATM 3 C UNK 0 -0.451 -0.490 0.169 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.775 -0.907 0.813 0.00 0.00 C+0 HETATM 5 O UNK 0 -1.777 -0.561 2.209 0.00 0.00 O+0 HETATM 6 C UNK 0 -2.954 -0.238 0.069 0.00 0.00 C+0 HETATM 7 O UNK 0 -4.108 -0.343 0.921 0.00 0.00 O+0 HETATM 8 C UNK 0 -5.316 0.034 0.250 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.876 -1.121 -0.580 0.00 0.00 C+0 HETATM 10 O UNK 0 -5.722 -2.372 0.103 0.00 0.00 O+0 HETATM 11 C UNK 0 -7.352 -0.758 -0.663 0.00 0.00 C+0 HETATM 12 N UNK 0 -7.708 -0.277 0.692 0.00 0.00 N+0 HETATM 13 C UNK 0 -6.447 0.299 1.260 0.00 0.00 C+0 HETATM 14 C UNK 0 -6.652 1.798 1.558 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.478 2.422 2.297 0.00 0.00 C+0 HETATM 16 O UNK 0 -7.821 1.946 2.372 0.00 0.00 O+0 HETATM 17 O UNK 0 -2.734 1.121 -0.292 0.00 0.00 O+0 HETATM 18 C UNK 0 -1.655 1.762 0.398 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.676 3.237 -0.037 0.00 0.00 C+0 HETATM 20 O UNK 0 -1.283 3.391 -1.408 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.314 1.057 0.085 0.00 0.00 C+0 HETATM 22 O UNK 0 0.699 1.464 1.015 0.00 0.00 O+0 HETATM 23 C UNK 0 1.608 2.473 0.571 0.00 0.00 C+0 HETATM 24 O UNK 0 2.138 3.123 1.735 0.00 0.00 O+0 HETATM 25 C UNK 0 2.842 2.210 2.594 0.00 0.00 C+0 HETATM 26 C UNK 0 4.006 1.514 1.879 0.00 0.00 C+0 HETATM 27 O UNK 0 5.005 2.533 1.616 0.00 0.00 O+0 HETATM 28 C UNK 0 6.307 2.150 1.721 0.00 0.00 C+0 HETATM 29 C UNK 0 7.204 3.291 1.352 0.00 0.00 C+0 HETATM 30 O UNK 0 6.701 1.046 2.068 0.00 0.00 O+0 HETATM 31 C UNK 0 3.541 0.888 0.550 0.00 0.00 C+0 HETATM 32 O UNK 0 4.708 0.446 -0.183 0.00 0.00 O+0 HETATM 33 C UNK 0 4.592 -0.703 -0.897 0.00 0.00 C+0 HETATM 34 C UNK 0 5.867 -0.972 -1.636 0.00 0.00 C+0 HETATM 35 O UNK 0 3.606 -1.425 -0.939 0.00 0.00 O+0 HETATM 36 C UNK 0 2.789 1.941 -0.280 0.00 0.00 C+0 HETATM 37 O UNK 0 2.361 1.388 -1.533 0.00 0.00 O+0 HETATM 38 C UNK 0 2.181 2.379 -2.550 0.00 0.00 C+0 HETATM 39 O UNK 0 0.870 2.261 -3.106 0.00 0.00 O+0 HETATM 40 C UNK 0 0.651 0.991 -3.741 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.780 0.969 -4.264 0.00 0.00 C+0 HETATM 42 O UNK 0 -1.147 0.280 -5.209 0.00 0.00 O+0 HETATM 43 O UNK 0 -1.629 1.773 -3.583 0.00 0.00 O+0 HETATM 44 C UNK 0 1.634 0.767 -4.897 0.00 0.00 C+0 HETATM 45 O UNK 0 1.524 -0.538 -5.485 0.00 0.00 O+0 HETATM 46 C UNK 0 3.068 0.910 -4.376 0.00 0.00 C+0 HETATM 47 O UNK 0 4.000 0.846 -5.470 0.00 0.00 O+0 HETATM 48 C UNK 0 3.245 2.244 -3.654 0.00 0.00 C+0 HETATM 49 O UNK 0 4.577 2.349 -3.137 0.00 0.00 O+0 HETATM 50 H UNK 0 1.161 -2.354 -0.799 0.00 0.00 H+0 HETATM 51 H UNK 0 0.211 -2.638 -2.271 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.490 -3.041 -0.691 0.00 0.00 H+0 HETATM 53 H UNK 0 0.389 -0.884 0.757 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.918 -1.992 0.777 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.720 -0.521 2.467 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.138 -0.789 -0.861 0.00 0.00 H+0 HETATM 57 H UNK 0 -5.170 0.917 -0.386 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.402 -1.207 -1.561 0.00 0.00 H+0 HETATM 59 H UNK 0 -4.962 -2.270 0.705 0.00 0.00 H+0 HETATM 60 H UNK 0 -7.981 -1.610 -0.937 0.00 0.00 H+0 HETATM 61 H UNK 0 -7.517 0.053 -1.382 0.00 0.00 H+0 HETATM 62 H UNK 0 -7.912 -1.120 1.241 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.249 -0.222 2.207 0.00 0.00 H+0 HETATM 64 H UNK 0 -6.835 2.354 0.630 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.700 3.464 2.553 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.565 2.403 1.697 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.289 1.901 3.241 0.00 0.00 H+0 HETATM 68 H UNK 0 -8.480 1.354 1.954 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.865 1.761 1.474 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.011 3.843 0.583 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.693 3.635 0.055 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.517 4.309 -1.647 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.009 1.302 -0.931 0.00 0.00 H+0 HETATM 74 H UNK 0 1.068 3.236 0.007 0.00 0.00 H+0 HETATM 75 H UNK 0 3.223 2.805 3.431 0.00 0.00 H+0 HETATM 76 H UNK 0 2.138 1.479 3.005 0.00 0.00 H+0 HETATM 77 H UNK 0 4.420 0.744 2.540 0.00 0.00 H+0 HETATM 78 H UNK 0 7.008 3.598 0.322 0.00 0.00 H+0 HETATM 79 H UNK 0 7.044 4.126 2.040 0.00 0.00 H+0 HETATM 80 H UNK 0 8.247 2.971 1.427 0.00 0.00 H+0 HETATM 81 H UNK 0 2.888 0.034 0.768 0.00 0.00 H+0 HETATM 82 H UNK 0 6.688 -1.094 -0.925 0.00 0.00 H+0 HETATM 83 H UNK 0 5.763 -1.895 -2.212 0.00 0.00 H+0 HETATM 84 H UNK 0 6.074 -0.152 -2.328 0.00 0.00 H+0 HETATM 85 H UNK 0 3.496 2.757 -0.486 0.00 0.00 H+0 HETATM 86 H UNK 0 2.247 3.386 -2.123 0.00 0.00 H+0 HETATM 87 H UNK 0 0.726 0.182 -3.011 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.178 2.258 -2.843 0.00 0.00 H+0 HETATM 89 H UNK 0 1.466 1.494 -5.702 0.00 0.00 H+0 HETATM 90 H UNK 0 0.593 -0.639 -5.780 0.00 0.00 H+0 HETATM 91 H UNK 0 3.330 0.073 -3.719 0.00 0.00 H+0 HETATM 92 H UNK 0 3.726 0.056 -5.981 0.00 0.00 H+0 HETATM 93 H UNK 0 3.122 3.059 -4.378 0.00 0.00 H+0 HETATM 94 H UNK 0 5.152 2.042 -3.869 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 3 1 CONECT 3 4 21 2 53 CONECT 4 6 3 5 54 CONECT 5 4 55 CONECT 6 4 17 7 56 CONECT 7 8 6 CONECT 8 7 13 9 57 CONECT 9 11 10 8 58 CONECT 10 9 59 CONECT 11 9 12 60 61 CONECT 12 11 13 62 CONECT 13 14 12 8 63 CONECT 14 13 16 15 64 CONECT 15 14 65 66 67 CONECT 16 14 68 CONECT 17 18 6 CONECT 18 21 17 19 69 CONECT 19 20 18 70 71 CONECT 20 19 72 CONECT 21 3 18 22 73 CONECT 22 21 23 CONECT 23 36 24 22 74 CONECT 24 25 23 CONECT 25 26 24 75 76 CONECT 26 31 25 27 77 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 78 79 80 CONECT 30 28 CONECT 31 36 26 32 81 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 82 83 84 CONECT 35 33 CONECT 36 23 31 37 85 CONECT 37 36 38 CONECT 38 39 48 37 86 CONECT 39 40 38 CONECT 40 44 39 41 87 CONECT 41 42 43 40 CONECT 42 41 CONECT 43 41 88 CONECT 44 46 40 45 89 CONECT 45 44 90 CONECT 46 48 44 47 91 CONECT 47 46 92 CONECT 48 46 49 38 93 CONECT 49 48 94 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 3 CONECT 54 4 CONECT 55 5 CONECT 56 6 CONECT 57 8 CONECT 58 9 CONECT 59 10 CONECT 60 11 CONECT 61 11 CONECT 62 12 CONECT 63 13 CONECT 64 14 CONECT 65 15 CONECT 66 15 CONECT 67 15 CONECT 68 16 CONECT 69 18 CONECT 70 19 CONECT 71 19 CONECT 72 20 CONECT 73 21 CONECT 74 23 CONECT 75 25 CONECT 76 25 CONECT 77 26 CONECT 78 29 CONECT 79 29 CONECT 80 29 CONECT 81 31 CONECT 82 34 CONECT 83 34 CONECT 84 34 CONECT 85 36 CONECT 86 38 CONECT 87 40 CONECT 88 43 CONECT 89 44 CONECT 90 45 CONECT 91 46 CONECT 92 47 CONECT 93 48 CONECT 94 49 MASTER 0 0 0 0 0 0 0 0 94 0 194 0 END