HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -9.690 -3.109 -0.843 0.00 0.00 C+0 HETATM 2 O UNK 0 -8.967 -1.940 -1.117 0.00 0.00 O+0 HETATM 3 C UNK 0 -9.191 -0.709 -0.496 0.00 0.00 C+0 HETATM 4 C UNK 0 -9.822 0.189 -1.222 0.00 0.00 C+0 HETATM 5 C UNK 0 -10.272 -0.078 -2.616 0.00 0.00 C+0 HETATM 6 C UNK 0 -10.079 1.498 -0.600 0.00 0.00 C+0 HETATM 7 O UNK 0 -10.679 2.406 -1.235 0.00 0.00 O+0 HETATM 8 C UNK 0 -9.632 1.728 0.756 0.00 0.00 C+0 HETATM 9 C UNK 0 -9.001 0.801 1.452 0.00 0.00 C+0 HETATM 10 C UNK 0 -8.552 1.061 2.841 0.00 0.00 C+0 HETATM 11 C UNK 0 -8.712 -0.530 0.884 0.00 0.00 C+0 HETATM 12 O UNK 0 -9.282 -1.529 1.690 0.00 0.00 O+0 HETATM 13 C UNK 0 -7.209 -0.665 0.914 0.00 0.00 C+0 HETATM 14 O UNK 0 -6.669 -1.542 1.628 0.00 0.00 O+0 HETATM 15 O UNK 0 -6.487 0.220 0.124 0.00 0.00 O+0 HETATM 16 C UNK 0 -5.088 0.165 0.100 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.420 -0.757 -0.673 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.173 -1.721 -1.508 0.00 0.00 C+0 HETATM 19 C UNK 0 -3.028 -0.824 -0.710 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.356 -1.837 -1.563 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.289 0.060 0.052 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.841 0.046 0.049 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.254 -0.805 -0.662 0.00 0.00 O+0 HETATM 24 O UNK 0 -0.074 0.929 0.795 0.00 0.00 O+0 HETATM 25 C UNK 0 1.328 0.808 0.707 0.00 0.00 C+0 HETATM 26 C UNK 0 1.941 1.252 -0.437 0.00 0.00 C+0 HETATM 27 C UNK 0 3.321 1.170 -0.608 0.00 0.00 C+0 HETATM 28 C UNK 0 3.923 1.669 -1.877 0.00 0.00 C+0 HETATM 29 C UNK 0 4.117 0.625 0.404 0.00 0.00 C+0 HETATM 30 C UNK 0 5.537 0.565 0.189 0.00 0.00 C+0 HETATM 31 O UNK 0 6.028 1.005 -0.919 0.00 0.00 O+0 HETATM 32 O UNK 0 6.506 0.079 1.043 0.00 0.00 O+0 HETATM 33 C UNK 0 7.865 0.074 0.710 0.00 0.00 C+0 HETATM 34 C UNK 0 8.483 -1.066 0.251 0.00 0.00 C+0 HETATM 35 C UNK 0 9.836 -1.073 -0.084 0.00 0.00 C+0 HETATM 36 O UNK 0 10.478 -2.209 -0.545 0.00 0.00 O+0 HETATM 37 C UNK 0 9.737 -3.405 -0.685 0.00 0.00 C+0 HETATM 38 C UNK 0 10.563 0.088 0.050 0.00 0.00 C+0 HETATM 39 C UNK 0 11.981 0.083 -0.302 0.00 0.00 C+0 HETATM 40 O UNK 0 12.891 -0.182 0.513 0.00 0.00 O+0 HETATM 41 O UNK 0 12.311 0.394 -1.619 0.00 0.00 O+0 HETATM 42 C UNK 0 9.962 1.251 0.511 0.00 0.00 C+0 HETATM 43 C UNK 0 10.730 2.525 0.660 0.00 0.00 C+0 HETATM 44 C UNK 0 8.626 1.217 0.830 0.00 0.00 C+0 HETATM 45 C UNK 0 7.962 2.475 1.329 0.00 0.00 C+0 HETATM 46 C UNK 0 3.484 0.192 1.528 0.00 0.00 C+0 HETATM 47 O UNK 0 4.181 -0.358 2.568 0.00 0.00 O+0 HETATM 48 C UNK 0 2.102 0.273 1.699 0.00 0.00 C+0 HETATM 49 C UNK 0 1.465 -0.213 2.946 0.00 0.00 C+0 HETATM 50 C UNK 0 -2.944 0.997 0.838 0.00 0.00 C+0 HETATM 51 O UNK 0 -2.244 1.903 1.619 0.00 0.00 O+0 HETATM 52 C UNK 0 -4.321 1.038 0.853 0.00 0.00 C+0 HETATM 53 Cl UNK 0 -5.145 2.225 1.844 0.00 0.00 Cl+0 HETATM 54 H UNK 0 -10.773 -2.976 -1.053 0.00 0.00 H+0 HETATM 55 H UNK 0 -9.310 -3.885 -1.541 0.00 0.00 H+0 HETATM 56 H UNK 0 -9.601 -3.422 0.225 0.00 0.00 H+0 HETATM 57 H UNK 0 -10.718 -1.072 -2.734 0.00 0.00 H+0 HETATM 58 H UNK 0 -9.340 -0.036 -3.250 0.00 0.00 H+0 HETATM 59 H UNK 0 -10.901 0.763 -2.941 0.00 0.00 H+0 HETATM 60 H UNK 0 -9.818 2.698 1.223 0.00 0.00 H+0 HETATM 61 H UNK 0 -8.643 2.135 3.079 0.00 0.00 H+0 HETATM 62 H UNK 0 -7.481 0.754 2.971 0.00 0.00 H+0 HETATM 63 H UNK 0 -9.123 0.424 3.565 0.00 0.00 H+0 HETATM 64 H UNK 0 -8.574 -2.148 1.965 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.035 -1.477 -2.579 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.949 -2.771 -1.267 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.258 -1.599 -1.312 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.106 -2.487 -2.065 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.805 -2.529 -0.880 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.727 -1.397 -2.360 0.00 0.00 H+0 HETATM 71 H UNK 0 1.350 1.681 -1.235 0.00 0.00 H+0 HETATM 72 H UNK 0 4.371 0.853 -2.471 0.00 0.00 H+0 HETATM 73 H UNK 0 4.569 2.557 -1.740 0.00 0.00 H+0 HETATM 74 H UNK 0 3.084 2.046 -2.527 0.00 0.00 H+0 HETATM 75 H UNK 0 7.950 -2.022 0.130 0.00 0.00 H+0 HETATM 76 H UNK 0 8.993 -3.288 -1.489 0.00 0.00 H+0 HETATM 77 H UNK 0 9.200 -3.653 0.266 0.00 0.00 H+0 HETATM 78 H UNK 0 10.418 -4.258 -0.910 0.00 0.00 H+0 HETATM 79 H UNK 0 11.617 0.631 -2.320 0.00 0.00 H+0 HETATM 80 H UNK 0 10.445 3.252 -0.144 0.00 0.00 H+0 HETATM 81 H UNK 0 11.794 2.308 0.508 0.00 0.00 H+0 HETATM 82 H UNK 0 10.543 3.030 1.630 0.00 0.00 H+0 HETATM 83 H UNK 0 6.991 2.188 1.832 0.00 0.00 H+0 HETATM 84 H UNK 0 8.563 2.953 2.113 0.00 0.00 H+0 HETATM 85 H UNK 0 7.796 3.097 0.432 0.00 0.00 H+0 HETATM 86 H UNK 0 5.147 -0.483 2.591 0.00 0.00 H+0 HETATM 87 H UNK 0 2.154 0.087 3.787 0.00 0.00 H+0 HETATM 88 H UNK 0 1.384 -1.306 3.003 0.00 0.00 H+0 HETATM 89 H UNK 0 0.510 0.307 3.170 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.661 2.592 2.198 0.00 0.00 H+0 CONECT 1 2 54 55 56 CONECT 2 1 3 CONECT 3 2 4 11 CONECT 4 3 5 6 CONECT 5 4 57 58 59 CONECT 6 4 7 8 CONECT 7 6 CONECT 8 6 9 60 CONECT 9 8 10 11 CONECT 10 9 61 62 63 CONECT 11 9 12 13 3 CONECT 12 11 64 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 16 CONECT 16 15 17 52 CONECT 17 16 18 19 CONECT 18 17 65 66 67 CONECT 19 17 20 21 CONECT 20 19 68 69 70 CONECT 21 19 22 50 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 48 CONECT 26 25 27 71 CONECT 27 26 28 29 CONECT 28 27 72 73 74 CONECT 29 27 30 46 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 CONECT 33 32 34 44 CONECT 34 33 35 75 CONECT 35 34 36 38 CONECT 36 35 37 CONECT 37 36 76 77 78 CONECT 38 35 39 42 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 79 CONECT 42 38 43 44 CONECT 43 42 80 81 82 CONECT 44 42 45 33 CONECT 45 44 83 84 85 CONECT 46 29 47 48 CONECT 47 46 86 CONECT 48 46 49 25 CONECT 49 48 87 88 89 CONECT 50 21 51 52 CONECT 51 50 90 CONECT 52 50 53 16 CONECT 53 52 CONECT 54 1 CONECT 55 1 CONECT 56 1 CONECT 57 5 CONECT 58 5 CONECT 59 5 CONECT 60 8 CONECT 61 10 CONECT 62 10 CONECT 63 10 CONECT 64 12 CONECT 65 18 CONECT 66 18 CONECT 67 18 CONECT 68 20 CONECT 69 20 CONECT 70 20 CONECT 71 26 CONECT 72 28 CONECT 73 28 CONECT 74 28 CONECT 75 34 CONECT 76 37 CONECT 77 37 CONECT 78 37 CONECT 79 41 CONECT 80 43 CONECT 81 43 CONECT 82 43 CONECT 83 45 CONECT 84 45 CONECT 85 45 CONECT 86 47 CONECT 87 49 CONECT 88 49 CONECT 89 49 CONECT 90 51 MASTER 0 0 0 0 0 0 0 0 90 0 186 0 END