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 -7.721 -0.720 -0.911 0.00 0.00 C+0 HETATM 2 N UNK 0 -6.338 -0.315 -1.019 0.00 0.00 N+0 HETATM 3 C UNK 0 -5.256 -1.113 -0.574 0.00 0.00 C+0 HETATM 4 O UNK 0 -5.280 -2.361 -0.561 0.00 0.00 O+0 HETATM 5 C UNK 0 -3.995 -0.371 -0.086 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.062 -1.364 0.457 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.792 -0.966 1.039 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.525 -0.909 0.511 0.00 0.00 C+0 HETATM 9 N UNK 0 0.376 -0.446 1.414 0.00 0.00 N+0 HETATM 10 C UNK 0 1.799 -0.254 1.196 0.00 0.00 C+0 HETATM 11 C UNK 0 2.265 1.157 1.226 0.00 0.00 C+0 HETATM 12 C UNK 0 3.582 1.076 0.475 0.00 0.00 C+0 HETATM 13 S UNK 0 4.885 0.809 1.678 0.00 0.00 S+0 HETATM 14 S UNK 0 6.763 1.538 1.026 0.00 0.00 S+0 HETATM 15 S UNK 0 7.036 0.898 -0.987 0.00 0.00 S+0 HETATM 16 C UNK 0 5.422 0.824 -1.766 0.00 0.00 C+0 HETATM 17 C UNK 0 5.618 0.628 -3.257 0.00 0.00 C+0 HETATM 18 O UNK 0 4.405 0.596 -3.930 0.00 0.00 O+0 HETATM 19 C UNK 0 4.587 -0.320 -1.251 0.00 0.00 C+0 HETATM 20 O UNK 0 4.951 -1.491 -1.551 0.00 0.00 O+0 HETATM 21 N UNK 0 3.424 -0.059 -0.452 0.00 0.00 N+0 HETATM 22 C UNK 0 2.109 -0.588 -0.294 0.00 0.00 C+0 HETATM 23 N UNK 0 2.053 -2.034 -0.199 0.00 0.00 N+0 HETATM 24 C UNK 0 2.762 -2.327 1.016 0.00 0.00 C+0 HETATM 25 C UNK 0 3.486 -3.456 1.349 0.00 0.00 C+0 HETATM 26 C UNK 0 4.131 -3.555 2.564 0.00 0.00 C+0 HETATM 27 C UNK 0 4.031 -2.491 3.433 0.00 0.00 C+0 HETATM 28 C UNK 0 3.305 -1.374 3.083 0.00 0.00 C+0 HETATM 29 C UNK 0 2.642 -1.239 1.872 0.00 0.00 C+0 HETATM 30 N UNK 0 4.730 2.079 -1.493 0.00 0.00 N+0 HETATM 31 C UNK 0 5.004 3.181 -2.407 0.00 0.00 C+0 HETATM 32 C UNK 0 3.838 2.235 -0.403 0.00 0.00 C+0 HETATM 33 O UNK 0 3.267 3.318 -0.168 0.00 0.00 O+0 HETATM 34 C UNK 0 -0.289 -0.196 2.544 0.00 0.00 C+0 HETATM 35 C UNK 0 0.138 0.272 3.785 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.779 0.417 4.802 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.103 0.106 4.604 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.547 -0.357 3.387 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.642 -0.506 2.359 0.00 0.00 C+0 HETATM 40 S UNK 0 -4.518 0.936 1.065 0.00 0.00 S+0 HETATM 41 S UNK 0 -5.859 2.109 -0.168 0.00 0.00 S+0 HETATM 42 C UNK 0 -6.038 0.993 -1.619 0.00 0.00 C+0 HETATM 43 C UNK 0 -7.020 1.458 -2.599 0.00 0.00 C+0 HETATM 44 O UNK 0 -7.123 0.574 -3.648 0.00 0.00 O+0 HETATM 45 C UNK 0 -4.655 0.834 -2.155 0.00 0.00 C+0 HETATM 46 O UNK 0 -4.447 1.143 -3.340 0.00 0.00 O+0 HETATM 47 N UNK 0 -3.612 0.331 -1.289 0.00 0.00 N+0 HETATM 48 C UNK 0 -2.264 0.588 -1.711 0.00 0.00 C+0 HETATM 49 H UNK 0 -8.189 -0.282 0.000 0.00 0.00 H+0 HETATM 50 H UNK 0 -8.257 -0.368 -1.815 0.00 0.00 H+0 HETATM 51 H UNK 0 -7.807 -1.823 -0.831 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.875 -2.169 -0.328 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.618 -1.960 1.253 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.253 -1.197 -0.469 0.00 0.00 H+0 HETATM 55 H UNK 0 2.422 1.480 2.268 0.00 0.00 H+0 HETATM 56 H UNK 0 1.522 1.770 0.685 0.00 0.00 H+0 HETATM 57 H UNK 0 6.273 1.468 -3.609 0.00 0.00 H+0 HETATM 58 H UNK 0 6.161 -0.327 -3.388 0.00 0.00 H+0 HETATM 59 H UNK 0 4.591 0.527 -4.892 0.00 0.00 H+0 HETATM 60 H UNK 0 1.353 -0.134 -0.928 0.00 0.00 H+0 HETATM 61 H UNK 0 1.616 -2.704 -0.837 0.00 0.00 H+0 HETATM 62 H UNK 0 3.577 -4.314 0.670 0.00 0.00 H+0 HETATM 63 H UNK 0 4.707 -4.407 2.877 0.00 0.00 H+0 HETATM 64 H UNK 0 4.527 -2.521 4.412 0.00 0.00 H+0 HETATM 65 H UNK 0 3.251 -0.570 3.772 0.00 0.00 H+0 HETATM 66 H UNK 0 6.113 3.300 -2.542 0.00 0.00 H+0 HETATM 67 H UNK 0 4.621 4.118 -1.955 0.00 0.00 H+0 HETATM 68 H UNK 0 4.547 2.933 -3.366 0.00 0.00 H+0 HETATM 69 H UNK 0 1.180 0.504 3.918 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.404 0.787 5.761 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.821 0.220 5.404 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.570 -0.636 3.208 0.00 0.00 H+0 HETATM 73 H UNK 0 -7.988 1.648 -2.093 0.00 0.00 H+0 HETATM 74 H UNK 0 -6.693 2.445 -2.992 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.983 0.792 -4.120 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.728 -0.310 -2.038 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.236 1.269 -2.608 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.782 1.169 -0.911 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 42 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 40 47 CONECT 6 5 7 52 53 CONECT 7 6 8 39 CONECT 8 7 9 54 CONECT 9 8 10 34 CONECT 10 9 11 22 29 CONECT 11 10 12 55 56 CONECT 12 11 13 21 32 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 19 30 CONECT 17 16 18 57 58 CONECT 18 17 59 CONECT 19 16 20 21 CONECT 20 19 CONECT 21 19 22 12 CONECT 22 21 23 10 60 CONECT 23 22 24 61 CONECT 24 23 25 29 CONECT 25 24 26 62 CONECT 26 25 27 63 CONECT 27 26 28 64 CONECT 28 27 29 65 CONECT 29 28 24 10 CONECT 30 16 31 32 CONECT 31 30 66 67 68 CONECT 32 30 33 12 CONECT 33 32 CONECT 34 9 35 39 CONECT 35 34 36 69 CONECT 36 35 37 70 CONECT 37 36 38 71 CONECT 38 37 39 72 CONECT 39 38 7 34 CONECT 40 5 41 CONECT 41 40 42 CONECT 42 41 43 45 2 CONECT 43 42 44 73 74 CONECT 44 43 75 CONECT 45 42 46 47 CONECT 46 45 CONECT 47 45 48 5 CONECT 48 47 76 77 78 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 6 CONECT 53 6 CONECT 54 8 CONECT 55 11 CONECT 56 11 CONECT 57 17 CONECT 58 17 CONECT 59 18 CONECT 60 22 CONECT 61 23 CONECT 62 25 CONECT 63 26 CONECT 64 27 CONECT 65 28 CONECT 66 31 CONECT 67 31 CONECT 68 31 CONECT 69 35 CONECT 70 36 CONECT 71 37 CONECT 72 38 CONECT 73 43 CONECT 74 43 CONECT 75 44 CONECT 76 48 CONECT 77 48 CONECT 78 48 MASTER 0 0 0 0 0 0 0 0 78 0 172 0 END