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 N UNK 0 -3.203 6.626 0.004 0.00 0.00 N+0 HETATM 2 C UNK 0 -2.174 5.667 -0.238 0.00 0.00 C+0 HETATM 3 O UNK 0 -1.305 5.483 0.628 0.00 0.00 O+0 HETATM 4 O UNK 0 -2.113 4.938 -1.403 0.00 0.00 O+0 HETATM 5 C UNK 0 -1.186 3.981 -1.764 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.129 2.749 -0.913 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.838 2.961 0.416 0.00 0.00 O+0 HETATM 8 C UNK 0 -2.368 1.905 -1.030 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.335 0.647 -0.178 0.00 0.00 C+0 HETATM 10 N UNK 0 -3.588 -0.022 -0.440 0.00 0.00 N+0 HETATM 11 C UNK 0 -4.538 -0.174 0.585 0.00 0.00 C+0 HETATM 12 O UNK 0 -4.306 0.276 1.724 0.00 0.00 O+0 HETATM 13 C UNK 0 -5.853 -0.877 0.345 0.00 0.00 C+0 HETATM 14 N UNK 0 -6.632 -0.864 1.537 0.00 0.00 N+0 HETATM 15 C UNK 0 -7.410 -2.034 1.805 0.00 0.00 C+0 HETATM 16 C UNK 0 -7.850 -2.626 0.474 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.593 -3.245 -0.111 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.457 -2.260 -0.142 0.00 0.00 C+0 HETATM 19 O UNK 0 -4.323 -2.694 0.545 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.171 -0.202 -0.500 0.00 0.00 C+0 HETATM 21 O UNK 0 -1.270 -1.010 -1.457 0.00 0.00 O+0 HETATM 22 N UNK 0 0.049 -0.157 0.211 0.00 0.00 N+0 HETATM 23 C UNK 0 1.199 -1.031 -0.157 0.00 0.00 C+0 HETATM 24 C UNK 0 1.281 -2.073 0.879 0.00 0.00 C+0 HETATM 25 C UNK 0 2.270 -3.131 0.704 0.00 0.00 C+0 HETATM 26 C UNK 0 3.107 -3.487 -0.319 0.00 0.00 C+0 HETATM 27 N UNK 0 3.831 -4.559 0.022 0.00 0.00 N+0 HETATM 28 C UNK 0 3.466 -4.909 1.274 0.00 0.00 C+0 HETATM 29 N UNK 0 3.950 -5.983 2.063 0.00 0.00 N+0 HETATM 30 N UNK 0 2.523 -4.044 1.686 0.00 0.00 N+0 HETATM 31 C UNK 0 2.342 -0.107 -0.290 0.00 0.00 C+0 HETATM 32 O UNK 0 2.146 1.003 -0.927 0.00 0.00 O+0 HETATM 33 N UNK 0 3.612 -0.314 0.213 0.00 0.00 N+0 HETATM 34 C UNK 0 4.680 0.685 0.019 0.00 0.00 C+0 HETATM 35 C UNK 0 5.343 0.979 1.303 0.00 0.00 C+0 HETATM 36 O UNK 0 4.949 0.384 2.335 0.00 0.00 O+0 HETATM 37 O UNK 0 6.369 1.886 1.365 0.00 0.00 O+0 HETATM 38 C UNK 0 5.651 0.162 -1.020 0.00 0.00 C+0 HETATM 39 O UNK 0 4.986 -0.045 -2.209 0.00 0.00 O+0 HETATM 40 C UNK 0 6.744 1.172 -1.191 0.00 0.00 C+0 HETATM 41 N UNK 0 8.003 1.058 -0.749 0.00 0.00 N+0 HETATM 42 C UNK 0 8.675 2.181 -1.092 0.00 0.00 C+0 HETATM 43 C UNK 0 7.777 2.985 -1.761 0.00 0.00 C+0 HETATM 44 Cl UNK 0 8.144 4.578 -2.426 0.00 0.00 Cl+0 HETATM 45 N UNK 0 6.610 2.342 -1.805 0.00 0.00 N+0 HETATM 46 H UNK 0 -3.755 6.629 0.874 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.398 7.344 -0.719 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.369 3.649 -2.826 0.00 0.00 H+0 HETATM 49 H UNK 0 -0.131 4.377 -1.810 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.300 2.132 -1.343 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.595 2.790 1.028 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.499 1.664 -2.099 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.263 2.490 -0.721 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.309 0.907 0.900 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.775 -0.385 -1.387 0.00 0.00 H+0 HETATM 56 H UNK 0 -6.342 -0.330 -0.473 0.00 0.00 H+0 HETATM 57 H UNK 0 -7.268 -0.036 1.562 0.00 0.00 H+0 HETATM 58 H UNK 0 -8.336 -1.737 2.352 0.00 0.00 H+0 HETATM 59 H UNK 0 -6.837 -2.816 2.345 0.00 0.00 H+0 HETATM 60 H UNK 0 -8.269 -1.878 -0.213 0.00 0.00 H+0 HETATM 61 H UNK 0 -8.557 -3.442 0.701 0.00 0.00 H+0 HETATM 62 H UNK 0 -6.849 -3.676 -1.097 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.297 -4.070 0.569 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.149 -2.143 -1.201 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.131 -2.096 1.333 0.00 0.00 H+0 HETATM 66 H UNK 0 0.161 0.492 1.008 0.00 0.00 H+0 HETATM 67 H UNK 0 0.932 -1.452 -1.144 0.00 0.00 H+0 HETATM 68 H UNK 0 1.355 -1.630 1.898 0.00 0.00 H+0 HETATM 69 H UNK 0 0.273 -2.592 0.893 0.00 0.00 H+0 HETATM 70 H UNK 0 3.158 -2.966 -1.250 0.00 0.00 H+0 HETATM 71 H UNK 0 3.487 -6.908 1.983 0.00 0.00 H+0 HETATM 72 H UNK 0 4.745 -5.886 2.717 0.00 0.00 H+0 HETATM 73 H UNK 0 2.057 -4.084 2.633 0.00 0.00 H+0 HETATM 74 H UNK 0 3.863 -1.157 0.767 0.00 0.00 H+0 HETATM 75 H UNK 0 4.199 1.579 -0.424 0.00 0.00 H+0 HETATM 76 H UNK 0 7.155 1.721 1.984 0.00 0.00 H+0 HETATM 77 H UNK 0 6.064 -0.798 -0.674 0.00 0.00 H+0 HETATM 78 H UNK 0 5.455 0.311 -3.005 0.00 0.00 H+0 HETATM 79 H UNK 0 9.703 2.454 -0.909 0.00 0.00 H+0 HETATM 80 H UNK 0 5.758 2.741 -2.262 0.00 0.00 H+0 CONECT 1 2 46 47 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 48 49 CONECT 6 5 7 8 50 CONECT 7 6 51 CONECT 8 6 9 52 53 CONECT 9 8 10 20 54 CONECT 10 9 11 55 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 18 56 CONECT 14 13 15 57 CONECT 15 14 16 58 59 CONECT 16 15 17 60 61 CONECT 17 16 18 62 63 CONECT 18 17 19 13 64 CONECT 19 18 65 CONECT 20 9 21 22 CONECT 21 20 CONECT 22 20 23 66 CONECT 23 22 24 31 67 CONECT 24 23 25 68 69 CONECT 25 24 26 30 CONECT 26 25 27 70 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 71 72 CONECT 30 28 25 73 CONECT 31 23 32 33 CONECT 32 31 CONECT 33 31 34 74 CONECT 34 33 35 38 75 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 76 CONECT 38 34 39 40 77 CONECT 39 38 78 CONECT 40 38 41 45 CONECT 41 40 42 CONECT 42 41 43 79 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 40 80 CONECT 46 1 CONECT 47 1 CONECT 48 5 CONECT 49 5 CONECT 50 6 CONECT 51 7 CONECT 52 8 CONECT 53 8 CONECT 54 9 CONECT 55 10 CONECT 56 13 CONECT 57 14 CONECT 58 15 CONECT 59 15 CONECT 60 16 CONECT 61 16 CONECT 62 17 CONECT 63 17 CONECT 64 18 CONECT 65 19 CONECT 66 22 CONECT 67 23 CONECT 68 24 CONECT 69 24 CONECT 70 26 CONECT 71 29 CONECT 72 29 CONECT 73 30 CONECT 74 33 CONECT 75 34 CONECT 76 37 CONECT 77 38 CONECT 78 39 CONECT 79 42 CONECT 80 45 MASTER 0 0 0 0 0 0 0 0 80 0 164 0 END