HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -2.934 0.432 1.665 0.00 0.00 C+0 HETATM 2 N UNK 0 -2.384 1.209 0.545 0.00 0.00 N+0 HETATM 3 C UNK 0 -1.636 2.398 0.849 0.00 0.00 C+0 HETATM 4 O UNK 0 -2.040 3.162 1.755 0.00 0.00 O+0 HETATM 5 C UNK 0 -0.393 2.738 0.107 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.177 4.201 -0.053 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.074 4.896 1.130 0.00 0.00 O+0 HETATM 8 N UNK 0 -0.485 2.130 -1.208 0.00 0.00 N+0 HETATM 9 C UNK 0 -1.628 1.460 -1.689 0.00 0.00 C+0 HETATM 10 O UNK 0 -1.808 1.468 -2.951 0.00 0.00 O+0 HETATM 11 C UNK 0 -2.598 0.765 -0.792 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.967 1.039 -1.356 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.030 0.387 -0.553 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.351 -0.916 -0.855 0.00 0.00 C+0 HETATM 15 C UNK 0 -6.344 -1.562 -0.150 0.00 0.00 C+0 HETATM 16 C UNK 0 -7.042 -0.938 0.866 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.691 0.366 1.137 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.708 1.031 0.451 0.00 0.00 C+0 HETATM 19 S UNK 0 -2.325 -1.023 -0.976 0.00 0.00 S+0 HETATM 20 S UNK 0 -1.089 -1.815 0.518 0.00 0.00 S+0 HETATM 21 C UNK 0 0.455 -2.522 -0.156 0.00 0.00 C+0 HETATM 22 C UNK 0 0.217 -4.018 -0.250 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.825 -4.238 -1.161 0.00 0.00 O+0 HETATM 24 N UNK 0 0.815 -1.973 -1.424 0.00 0.00 N+0 HETATM 25 C UNK 0 1.657 -0.856 -1.514 0.00 0.00 C+0 HETATM 26 O UNK 0 1.588 -0.122 -2.537 0.00 0.00 O+0 HETATM 27 C UNK 0 2.640 -0.469 -0.473 0.00 0.00 C+0 HETATM 28 C UNK 0 4.000 -0.832 -1.025 0.00 0.00 C+0 HETATM 29 C UNK 0 5.113 -0.523 -0.134 0.00 0.00 C+0 HETATM 30 C UNK 0 5.598 -1.421 0.787 0.00 0.00 C+0 HETATM 31 C UNK 0 6.667 -1.081 1.623 0.00 0.00 C+0 HETATM 32 C UNK 0 7.249 0.156 1.537 0.00 0.00 C+0 HETATM 33 C UNK 0 6.781 1.067 0.625 0.00 0.00 C+0 HETATM 34 C UNK 0 5.722 0.708 -0.191 0.00 0.00 C+0 HETATM 35 S UNK 0 2.522 1.359 -0.340 0.00 0.00 S+0 HETATM 36 S UNK 0 1.013 1.978 0.973 0.00 0.00 S+0 HETATM 37 N UNK 0 2.343 -1.082 0.774 0.00 0.00 N+0 HETATM 38 C UNK 0 2.840 -0.530 2.023 0.00 0.00 C+0 HETATM 39 C UNK 0 1.550 -2.263 0.825 0.00 0.00 C+0 HETATM 40 O UNK 0 1.733 -3.154 1.706 0.00 0.00 O+0 HETATM 41 H UNK 0 -3.541 1.024 2.350 0.00 0.00 H+0 HETATM 42 H UNK 0 -2.097 0.020 2.301 0.00 0.00 H+0 HETATM 43 H UNK 0 -3.425 -0.486 1.267 0.00 0.00 H+0 HETATM 44 H UNK 0 -0.923 4.632 -0.756 0.00 0.00 H+0 HETATM 45 H UNK 0 0.821 4.317 -0.574 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.874 5.408 1.376 0.00 0.00 H+0 HETATM 47 H UNK 0 0.400 2.231 -1.800 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.996 0.593 -2.370 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.160 2.121 -1.503 0.00 0.00 H+0 HETATM 50 H UNK 0 -4.826 -1.464 -1.655 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.561 -2.600 -0.427 0.00 0.00 H+0 HETATM 52 H UNK 0 -7.802 -1.505 1.371 0.00 0.00 H+0 HETATM 53 H UNK 0 -7.243 0.859 1.939 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.457 2.075 0.698 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.152 -4.352 0.752 0.00 0.00 H+0 HETATM 56 H UNK 0 1.118 -4.581 -0.501 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.642 -3.836 -0.750 0.00 0.00 H+0 HETATM 58 H UNK 0 0.414 -2.457 -2.282 0.00 0.00 H+0 HETATM 59 H UNK 0 4.071 -0.284 -2.012 0.00 0.00 H+0 HETATM 60 H UNK 0 4.052 -1.905 -1.299 0.00 0.00 H+0 HETATM 61 H UNK 0 5.189 -2.399 0.903 0.00 0.00 H+0 HETATM 62 H UNK 0 7.030 -1.799 2.336 0.00 0.00 H+0 HETATM 63 H UNK 0 8.081 0.430 2.184 0.00 0.00 H+0 HETATM 64 H UNK 0 7.263 2.036 0.583 0.00 0.00 H+0 HETATM 65 H UNK 0 5.391 1.468 -0.896 0.00 0.00 H+0 HETATM 66 H UNK 0 3.520 0.328 1.850 0.00 0.00 H+0 HETATM 67 H UNK 0 2.025 -0.161 2.676 0.00 0.00 H+0 HETATM 68 H UNK 0 3.353 -1.328 2.636 0.00 0.00 H+0 CONECT 1 2 41 42 43 CONECT 2 1 3 11 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 8 36 CONECT 6 5 7 44 45 CONECT 7 6 46 CONECT 8 5 9 47 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 19 2 CONECT 12 11 13 48 49 CONECT 13 12 14 18 CONECT 14 13 15 50 CONECT 15 14 16 51 CONECT 16 15 17 52 CONECT 17 16 18 53 CONECT 18 17 13 54 CONECT 19 11 20 CONECT 20 19 21 CONECT 21 20 22 24 39 CONECT 22 21 23 55 56 CONECT 23 22 57 CONECT 24 21 25 58 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 35 37 CONECT 28 27 29 59 60 CONECT 29 28 30 34 CONECT 30 29 31 61 CONECT 31 30 32 62 CONECT 32 31 33 63 CONECT 33 32 34 64 CONECT 34 33 29 65 CONECT 35 27 36 CONECT 36 35 5 CONECT 37 27 38 39 CONECT 38 37 66 67 68 CONECT 39 37 40 21 CONECT 40 39 CONECT 41 1 CONECT 42 1 CONECT 43 1 CONECT 44 6 CONECT 45 6 CONECT 46 7 CONECT 47 8 CONECT 48 12 CONECT 49 12 CONECT 50 14 CONECT 51 15 CONECT 52 16 CONECT 53 17 CONECT 54 18 CONECT 55 22 CONECT 56 22 CONECT 57 23 CONECT 58 24 CONECT 59 28 CONECT 60 28 CONECT 61 30 CONECT 62 31 CONECT 63 32 CONECT 64 33 CONECT 65 34 CONECT 66 38 CONECT 67 38 CONECT 68 38 MASTER 0 0 0 0 0 0 0 0 68 0 144 0 END