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 7.456 -2.419 -3.837 0.00 0.00 C+0 HETATM 2 O UNK 0 7.325 -1.863 -2.551 0.00 0.00 O+0 HETATM 3 C UNK 0 6.876 -0.541 -2.352 0.00 0.00 C+0 HETATM 4 O UNK 0 6.610 0.080 -3.397 0.00 0.00 O+0 HETATM 5 C UNK 0 6.728 0.046 -1.002 0.00 0.00 C+0 HETATM 6 C UNK 0 8.033 0.506 -0.418 0.00 0.00 C+0 HETATM 7 S UNK 0 9.268 -0.747 -0.213 0.00 0.00 S+0 HETATM 8 C UNK 0 10.024 -1.215 -1.775 0.00 0.00 C+0 HETATM 9 N UNK 0 5.751 1.111 -0.982 0.00 0.00 N+0 HETATM 10 C UNK 0 6.160 2.336 -1.699 0.00 0.00 C+0 HETATM 11 C UNK 0 4.527 1.117 -0.336 0.00 0.00 C+0 HETATM 12 O UNK 0 3.850 2.251 -0.620 0.00 0.00 O+0 HETATM 13 C UNK 0 3.795 0.240 0.546 0.00 0.00 C+0 HETATM 14 C UNK 0 4.400 -0.914 1.234 0.00 0.00 C+0 HETATM 15 S UNK 0 5.755 -0.444 2.357 0.00 0.00 S+0 HETATM 16 C UNK 0 5.059 0.549 3.717 0.00 0.00 C+0 HETATM 17 N UNK 0 2.441 -0.045 0.061 0.00 0.00 N+0 HETATM 18 C UNK 0 2.367 -0.929 -1.094 0.00 0.00 C+0 HETATM 19 C UNK 0 1.266 0.478 0.639 0.00 0.00 C+0 HETATM 20 O UNK 0 1.380 1.238 1.654 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.039 0.130 0.059 0.00 0.00 C+0 HETATM 22 N UNK 0 -1.141 0.767 0.798 0.00 0.00 N+0 HETATM 23 C UNK 0 -2.478 0.566 0.390 0.00 0.00 C+0 HETATM 24 O UNK 0 -2.707 -0.149 -0.606 0.00 0.00 O+0 HETATM 25 C UNK 0 -3.604 1.186 1.121 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.489 2.644 1.336 0.00 0.00 C+0 HETATM 27 S UNK 0 -4.917 3.283 2.227 0.00 0.00 S+0 HETATM 28 C UNK 0 -6.444 3.246 1.298 0.00 0.00 C+0 HETATM 29 N UNK 0 -4.890 0.904 0.453 0.00 0.00 N+0 HETATM 30 C UNK 0 -5.725 -0.030 1.088 0.00 0.00 C+0 HETATM 31 O UNK 0 -5.330 -0.587 2.185 0.00 0.00 O+0 HETATM 32 C UNK 0 -7.051 -0.462 0.631 0.00 0.00 C+0 HETATM 33 N UNK 0 -7.701 -1.368 1.399 0.00 0.00 N+0 HETATM 34 C UNK 0 -8.907 -1.867 1.157 0.00 0.00 C+0 HETATM 35 C UNK 0 -9.536 -2.787 1.966 0.00 0.00 C+0 HETATM 36 C UNK 0 -10.787 -3.288 1.698 0.00 0.00 C+0 HETATM 37 C UNK 0 -11.452 -2.853 0.564 0.00 0.00 C+0 HETATM 38 C UNK 0 -10.850 -1.938 -0.260 0.00 0.00 C+0 HETATM 39 C UNK 0 -9.581 -1.438 0.025 0.00 0.00 C+0 HETATM 40 C UNK 0 -8.963 -0.528 -0.776 0.00 0.00 C+0 HETATM 41 C UNK 0 -7.676 -0.007 -0.502 0.00 0.00 C+0 HETATM 42 O UNK 0 -7.131 0.869 -1.311 0.00 0.00 O+0 HETATM 43 H UNK 0 8.272 -1.930 -4.438 0.00 0.00 H+0 HETATM 44 H UNK 0 7.685 -3.499 -3.704 0.00 0.00 H+0 HETATM 45 H UNK 0 6.538 -2.305 -4.446 0.00 0.00 H+0 HETATM 46 H UNK 0 6.400 -0.830 -0.379 0.00 0.00 H+0 HETATM 47 H UNK 0 7.772 0.901 0.616 0.00 0.00 H+0 HETATM 48 H UNK 0 8.442 1.379 -1.008 0.00 0.00 H+0 HETATM 49 H UNK 0 9.890 -2.275 -2.052 0.00 0.00 H+0 HETATM 50 H UNK 0 11.148 -1.022 -1.671 0.00 0.00 H+0 HETATM 51 H UNK 0 9.639 -0.586 -2.592 0.00 0.00 H+0 HETATM 52 H UNK 0 6.308 2.177 -2.769 0.00 0.00 H+0 HETATM 53 H UNK 0 7.028 2.744 -1.147 0.00 0.00 H+0 HETATM 54 H UNK 0 5.295 3.067 -1.642 0.00 0.00 H+0 HETATM 55 H UNK 0 3.530 0.952 1.453 0.00 0.00 H+0 HETATM 56 H UNK 0 3.577 -1.310 1.943 0.00 0.00 H+0 HETATM 57 H UNK 0 4.664 -1.767 0.615 0.00 0.00 H+0 HETATM 58 H UNK 0 4.006 0.263 3.816 0.00 0.00 H+0 HETATM 59 H UNK 0 5.539 0.322 4.684 0.00 0.00 H+0 HETATM 60 H UNK 0 5.104 1.641 3.469 0.00 0.00 H+0 HETATM 61 H UNK 0 1.985 -1.924 -0.808 0.00 0.00 H+0 HETATM 62 H UNK 0 3.340 -1.024 -1.603 0.00 0.00 H+0 HETATM 63 H UNK 0 1.682 -0.467 -1.836 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.166 0.430 -0.997 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.150 -0.987 0.100 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.867 1.355 1.613 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.575 0.696 2.142 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.424 3.233 0.386 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.585 2.941 1.911 0.00 0.00 H+0 HETATM 70 H UNK 0 -7.131 2.435 1.520 0.00 0.00 H+0 HETATM 71 H UNK 0 -7.009 4.189 1.561 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.299 3.326 0.200 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.073 1.406 -0.419 0.00 0.00 H+0 HETATM 74 H UNK 0 -8.983 -3.111 2.853 0.00 0.00 H+0 HETATM 75 H UNK 0 -11.233 -4.007 2.361 0.00 0.00 H+0 HETATM 76 H UNK 0 -12.456 -3.246 0.337 0.00 0.00 H+0 HETATM 77 H UNK 0 -11.327 -1.569 -1.155 0.00 0.00 H+0 HETATM 78 H UNK 0 -9.465 -0.172 -1.669 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.772 1.444 -1.842 0.00 0.00 H+0 CONECT 1 2 43 44 45 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 9 46 CONECT 6 5 7 47 48 CONECT 7 6 8 CONECT 8 7 49 50 51 CONECT 9 5 10 11 CONECT 10 9 52 53 54 CONECT 11 9 12 13 CONECT 12 11 CONECT 13 11 14 17 55 CONECT 14 13 15 56 57 CONECT 15 14 16 CONECT 16 15 58 59 60 CONECT 17 13 18 19 CONECT 18 17 61 62 63 CONECT 19 17 20 21 CONECT 20 19 CONECT 21 19 22 64 65 CONECT 22 21 23 66 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 29 67 CONECT 26 25 27 68 69 CONECT 27 26 28 CONECT 28 27 70 71 72 CONECT 29 25 30 73 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 41 CONECT 33 32 34 CONECT 34 33 35 39 CONECT 35 34 36 74 CONECT 36 35 37 75 CONECT 37 36 38 76 CONECT 38 37 39 77 CONECT 39 38 40 34 CONECT 40 39 41 78 CONECT 41 40 42 32 CONECT 42 41 79 CONECT 43 1 CONECT 44 1 CONECT 45 1 CONECT 46 5 CONECT 47 6 CONECT 48 6 CONECT 49 8 CONECT 50 8 CONECT 51 8 CONECT 52 10 CONECT 53 10 CONECT 54 10 CONECT 55 13 CONECT 56 14 CONECT 57 14 CONECT 58 16 CONECT 59 16 CONECT 60 16 CONECT 61 18 CONECT 62 18 CONECT 63 18 CONECT 64 21 CONECT 65 21 CONECT 66 22 CONECT 67 25 CONECT 68 26 CONECT 69 26 CONECT 70 28 CONECT 71 28 CONECT 72 28 CONECT 73 29 CONECT 74 35 CONECT 75 36 CONECT 76 37 CONECT 77 38 CONECT 78 40 CONECT 79 42 MASTER 0 0 0 0 0 0 0 0 79 0 160 0 END