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 3.633 2.458 -4.519 0.00 0.00 C+0 HETATM 2 S UNK 0 3.472 3.873 -3.457 0.00 0.00 S+0 HETATM 3 O UNK 0 2.902 5.029 -4.192 0.00 0.00 O+0 HETATM 4 O UNK 0 4.841 4.261 -2.934 0.00 0.00 O+0 HETATM 5 C UNK 0 2.440 3.436 -2.108 0.00 0.00 C+0 HETATM 6 C UNK 0 1.192 4.017 -2.057 0.00 0.00 C+0 HETATM 7 C UNK 0 0.315 3.700 -1.068 0.00 0.00 C+0 HETATM 8 C UNK 0 0.636 2.759 -0.044 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.340 2.497 0.949 0.00 0.00 C+0 HETATM 10 O UNK 0 -1.480 3.168 0.711 0.00 0.00 O+0 HETATM 11 N UNK 0 -0.467 1.730 2.120 0.00 0.00 N+0 HETATM 12 C UNK 0 -1.805 1.809 2.739 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.935 2.467 4.015 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.384 2.153 5.294 0.00 0.00 C+0 HETATM 15 C UNK 0 0.005 2.016 5.686 0.00 0.00 C+0 HETATM 16 N UNK 0 0.842 0.996 5.147 0.00 0.00 N+0 HETATM 17 C UNK 0 0.551 -0.282 5.420 0.00 0.00 C+0 HETATM 18 N UNK 0 -0.593 -0.483 6.239 0.00 0.00 N+0 HETATM 19 N UNK 0 1.376 -1.244 4.961 0.00 0.00 N+0 HETATM 20 C UNK 0 2.210 -2.217 4.497 0.00 0.00 C+0 HETATM 21 O UNK 0 1.946 -3.499 4.666 0.00 0.00 O+0 HETATM 22 C UNK 0 3.485 -2.061 3.774 0.00 0.00 C+0 HETATM 23 C UNK 0 4.213 -3.176 3.476 0.00 0.00 C+0 HETATM 24 C UNK 0 5.441 -3.125 2.860 0.00 0.00 C+0 HETATM 25 C UNK 0 6.000 -1.944 2.510 0.00 0.00 C+0 HETATM 26 C UNK 0 5.250 -0.779 2.817 0.00 0.00 C+0 HETATM 27 O UNK 0 5.826 0.420 2.454 0.00 0.00 O+0 HETATM 28 C UNK 0 4.024 -0.841 3.433 0.00 0.00 C+0 HETATM 29 O UNK 0 3.324 0.338 3.709 0.00 0.00 O+0 HETATM 30 C UNK 0 -2.454 0.454 2.618 0.00 0.00 C+0 HETATM 31 O UNK 0 -2.722 -0.203 3.593 0.00 0.00 O+0 HETATM 32 N UNK 0 -2.720 0.006 1.297 0.00 0.00 N+0 HETATM 33 C UNK 0 -3.411 -1.246 1.044 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.397 -1.666 -0.370 0.00 0.00 C+0 HETATM 35 O UNK 0 -4.146 -2.649 -0.689 0.00 0.00 O+0 HETATM 36 N UNK 0 -2.626 -1.095 -1.400 0.00 0.00 N+0 HETATM 37 C UNK 0 -2.574 -1.436 -2.783 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.191 -1.292 -3.369 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.203 -2.207 -2.660 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.720 -3.586 -2.394 0.00 0.00 C+0 HETATM 41 N UNK 0 -1.972 -3.886 -3.113 0.00 0.00 N+0 HETATM 42 O UNK 0 -2.119 -5.050 -3.783 0.00 0.00 O+0 HETATM 43 C UNK 0 -2.971 -2.886 -3.042 0.00 0.00 C+0 HETATM 44 O UNK 0 -4.172 -3.222 -3.200 0.00 0.00 O+0 HETATM 45 C UNK 0 1.880 2.201 -0.121 0.00 0.00 C+0 HETATM 46 O UNK 0 2.372 1.280 0.753 0.00 0.00 O+0 HETATM 47 C UNK 0 2.773 2.534 -1.140 0.00 0.00 C+0 HETATM 48 O UNK 0 4.048 1.945 -1.190 0.00 0.00 O+0 HETATM 49 H UNK 0 3.336 1.519 -4.046 0.00 0.00 H+0 HETATM 50 H UNK 0 2.949 2.567 -5.419 0.00 0.00 H+0 HETATM 51 H UNK 0 4.674 2.347 -4.915 0.00 0.00 H+0 HETATM 52 H UNK 0 0.898 4.748 -2.835 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.680 4.180 -1.046 0.00 0.00 H+0 HETATM 54 H UNK 0 0.269 1.175 2.525 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.429 2.421 2.013 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.090 2.575 4.176 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.726 3.600 3.802 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.966 1.270 5.765 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.794 2.978 6.036 0.00 0.00 H+0 HETATM 60 H UNK 0 0.570 3.023 5.699 0.00 0.00 H+0 HETATM 61 H UNK 0 0.004 1.802 6.815 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.692 -0.117 7.210 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.385 -1.052 5.815 0.00 0.00 H+0 HETATM 64 H UNK 0 0.575 -2.192 5.514 0.00 0.00 H+0 HETATM 65 H UNK 0 3.845 -4.193 3.715 0.00 0.00 H+0 HETATM 66 H UNK 0 5.971 -4.070 2.659 0.00 0.00 H+0 HETATM 67 H UNK 0 6.967 -1.836 2.030 0.00 0.00 H+0 HETATM 68 H UNK 0 5.405 1.304 2.613 0.00 0.00 H+0 HETATM 69 H UNK 0 3.685 1.222 3.467 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.426 0.594 0.502 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.815 -2.023 1.600 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.460 -1.242 1.383 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.974 -0.291 -1.092 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.319 -0.895 -3.354 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.834 -0.261 -3.336 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.242 -1.617 -4.423 0.00 0.00 H+0 HETATM 77 H UNK 0 0.710 -2.269 -3.264 0.00 0.00 H+0 HETATM 78 H UNK 0 0.095 -1.782 -1.659 0.00 0.00 H+0 HETATM 79 H UNK 0 -0.968 -3.728 -1.295 0.00 0.00 H+0 HETATM 80 H UNK 0 0.027 -4.371 -2.597 0.00 0.00 H+0 HETATM 81 H UNK 0 -1.609 -4.973 -4.628 0.00 0.00 H+0 HETATM 82 H UNK 0 2.027 0.850 1.505 0.00 0.00 H+0 HETATM 83 H UNK 0 4.382 1.275 -0.518 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 4 5 CONECT 3 2 CONECT 4 2 CONECT 5 2 6 47 CONECT 6 5 7 52 CONECT 7 6 8 53 CONECT 8 7 9 45 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 54 CONECT 12 11 13 30 55 CONECT 13 12 14 56 57 CONECT 14 13 15 58 59 CONECT 15 14 16 60 61 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 62 63 CONECT 19 17 20 64 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 28 CONECT 23 22 24 65 CONECT 24 23 25 66 CONECT 25 24 26 67 CONECT 26 25 27 28 CONECT 27 26 68 CONECT 28 26 29 22 CONECT 29 28 69 CONECT 30 12 31 32 CONECT 31 30 CONECT 32 30 33 70 CONECT 33 32 34 71 72 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 73 CONECT 37 36 38 43 74 CONECT 38 37 39 75 76 CONECT 39 38 40 77 78 CONECT 40 39 41 79 80 CONECT 41 40 42 43 CONECT 42 41 81 CONECT 43 41 44 37 CONECT 44 43 CONECT 45 8 46 47 CONECT 46 45 82 CONECT 47 45 48 5 CONECT 48 47 83 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 6 CONECT 53 7 CONECT 54 11 CONECT 55 12 CONECT 56 13 CONECT 57 13 CONECT 58 14 CONECT 59 14 CONECT 60 15 CONECT 61 15 CONECT 62 18 CONECT 63 18 CONECT 64 19 CONECT 65 23 CONECT 66 24 CONECT 67 25 CONECT 68 27 CONECT 69 29 CONECT 70 32 CONECT 71 33 CONECT 72 33 CONECT 73 36 CONECT 74 37 CONECT 75 38 CONECT 76 38 CONECT 77 39 CONECT 78 39 CONECT 79 40 CONECT 80 40 CONECT 81 42 CONECT 82 46 CONECT 83 48 MASTER 0 0 0 0 0 0 0 0 83 0 170 0 END