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 12.318 -2.161 -0.662 0.00 0.00 C+0 HETATM 2 O UNK 0 12.350 -0.770 -0.565 0.00 0.00 O+0 HETATM 3 C UNK 0 11.231 0.029 -0.388 0.00 0.00 C+0 HETATM 4 C UNK 0 9.945 -0.459 -0.285 0.00 0.00 C+0 HETATM 5 C UNK 0 8.856 0.371 -0.108 0.00 0.00 C+0 HETATM 6 C UNK 0 7.481 0.171 0.026 0.00 0.00 C+0 HETATM 7 C UNK 0 6.812 1.360 0.183 0.00 0.00 C+0 HETATM 8 C UNK 0 5.415 1.667 0.393 0.00 0.00 C+0 HETATM 9 O UNK 0 5.112 2.893 0.611 0.00 0.00 O+0 HETATM 10 N UNK 0 4.360 0.726 0.379 0.00 0.00 N+0 HETATM 11 C UNK 0 4.419 -0.697 0.110 0.00 0.00 C+0 HETATM 12 C UNK 0 2.962 -1.064 -0.220 0.00 0.00 C+0 HETATM 13 C UNK 0 2.506 -0.331 -1.446 0.00 0.00 C+0 HETATM 14 C UNK 0 2.138 0.110 -0.055 0.00 0.00 C+0 HETATM 15 C UNK 0 2.987 1.040 0.711 0.00 0.00 C+0 HETATM 16 C UNK 0 2.531 1.993 1.503 0.00 0.00 C+0 HETATM 17 C UNK 0 1.098 2.158 1.734 0.00 0.00 C+0 HETATM 18 O UNK 0 0.621 3.055 2.475 0.00 0.00 O+0 HETATM 19 C UNK 0 0.216 1.211 1.051 0.00 0.00 C+0 HETATM 20 N UNK 0 -1.138 1.035 1.060 0.00 0.00 N+0 HETATM 21 C UNK 0 -1.510 0.006 0.305 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.843 -0.519 0.018 0.00 0.00 C+0 HETATM 23 O UNK 0 -2.945 -1.568 -0.704 0.00 0.00 O+0 HETATM 24 N UNK 0 -4.005 0.097 0.518 0.00 0.00 N+0 HETATM 25 C UNK 0 -4.172 1.423 1.060 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.628 1.745 0.735 0.00 0.00 C+0 HETATM 27 C UNK 0 -6.292 0.443 0.615 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.317 -0.511 0.501 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.733 -1.821 0.395 0.00 0.00 C+0 HETATM 30 O UNK 0 -4.838 -2.872 0.279 0.00 0.00 O+0 HETATM 31 C UNK 0 -7.090 -2.162 0.402 0.00 0.00 C+0 HETATM 32 O UNK 0 -7.485 -3.509 0.292 0.00 0.00 O+0 HETATM 33 C UNK 0 -7.703 -4.018 -1.024 0.00 0.00 C+0 HETATM 34 C UNK 0 -8.020 -1.171 0.517 0.00 0.00 C+0 HETATM 35 N UNK 0 -9.367 -1.224 0.550 0.00 0.00 N+0 HETATM 36 C UNK 0 -9.875 0.033 0.678 0.00 0.00 C+0 HETATM 37 S UNK 0 -11.592 0.494 0.769 0.00 0.00 S+0 HETATM 38 C UNK 0 -12.199 0.798 -0.872 0.00 0.00 C+0 HETATM 39 C UNK 0 -11.297 0.652 -2.040 0.00 0.00 C+0 HETATM 40 O UNK 0 -13.353 1.122 -1.011 0.00 0.00 O+0 HETATM 41 C UNK 0 -8.781 0.872 0.723 0.00 0.00 C+0 HETATM 42 C UNK 0 -7.618 0.128 0.623 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.332 -0.526 -0.231 0.00 0.00 C+0 HETATM 44 C UNK 0 0.716 0.229 0.238 0.00 0.00 C+0 HETATM 45 N UNK 0 7.799 2.311 0.146 0.00 0.00 N+0 HETATM 46 C UNK 0 8.999 1.735 -0.025 0.00 0.00 C+0 HETATM 47 C UNK 0 10.291 2.233 -0.128 0.00 0.00 C+0 HETATM 48 C UNK 0 11.375 1.399 -0.304 0.00 0.00 C+0 HETATM 49 O UNK 0 12.646 1.950 -0.401 0.00 0.00 O+0 HETATM 50 H UNK 0 11.544 -2.522 0.066 0.00 0.00 H+0 HETATM 51 H UNK 0 12.076 -2.532 -1.665 0.00 0.00 H+0 HETATM 52 H UNK 0 13.287 -2.588 -0.295 0.00 0.00 H+0 HETATM 53 H UNK 0 9.796 -1.529 -0.346 0.00 0.00 H+0 HETATM 54 H UNK 0 7.071 -0.817 0.015 0.00 0.00 H+0 HETATM 55 H UNK 0 4.715 -1.268 0.988 0.00 0.00 H+0 HETATM 56 H UNK 0 5.027 -0.889 -0.815 0.00 0.00 H+0 HETATM 57 H UNK 0 2.677 -2.108 -0.109 0.00 0.00 H+0 HETATM 58 H UNK 0 1.670 -0.788 -2.016 0.00 0.00 H+0 HETATM 59 H UNK 0 3.232 0.212 -2.050 0.00 0.00 H+0 HETATM 60 H UNK 0 3.208 2.675 1.997 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.732 1.681 1.641 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.555 2.140 0.448 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.018 1.515 2.139 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.691 2.331 -0.180 0.00 0.00 H+0 HETATM 65 H UNK 0 -6.079 2.297 1.580 0.00 0.00 H+0 HETATM 66 H UNK 0 -5.168 -3.812 0.204 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.808 -4.590 -1.377 0.00 0.00 H+0 HETATM 68 H UNK 0 -8.578 -4.685 -0.966 0.00 0.00 H+0 HETATM 69 H UNK 0 -7.948 -3.212 -1.743 0.00 0.00 H+0 HETATM 70 H UNK 0 -9.975 -2.057 0.491 0.00 0.00 H+0 HETATM 71 H UNK 0 -11.800 1.066 -2.929 0.00 0.00 H+0 HETATM 72 H UNK 0 -11.022 -0.408 -2.223 0.00 0.00 H+0 HETATM 73 H UNK 0 -10.340 1.193 -1.868 0.00 0.00 H+0 HETATM 74 H UNK 0 -8.825 1.945 0.821 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.302 -1.386 -0.897 0.00 0.00 H+0 HETATM 76 H UNK 0 7.647 3.341 0.236 0.00 0.00 H+0 HETATM 77 H UNK 0 10.398 3.318 -0.062 0.00 0.00 H+0 HETATM 78 H UNK 0 13.444 1.370 -0.529 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 1 3 CONECT 3 2 4 48 CONECT 4 3 5 53 CONECT 5 4 6 46 CONECT 6 5 7 54 CONECT 7 6 8 45 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 15 CONECT 11 10 12 55 56 CONECT 12 11 13 14 57 CONECT 13 12 14 58 59 CONECT 14 13 15 12 44 CONECT 15 14 16 10 CONECT 16 15 17 60 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 44 CONECT 20 19 21 61 CONECT 21 20 22 43 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 28 CONECT 25 24 26 62 63 CONECT 26 25 27 64 65 CONECT 27 26 28 42 CONECT 28 27 29 24 CONECT 29 28 30 31 CONECT 30 29 66 CONECT 31 29 32 34 CONECT 32 31 33 CONECT 33 32 67 68 69 CONECT 34 31 35 42 CONECT 35 34 36 70 CONECT 36 35 37 41 CONECT 37 36 38 CONECT 38 37 39 40 CONECT 39 38 71 72 73 CONECT 40 38 CONECT 41 36 42 74 CONECT 42 41 34 27 CONECT 43 21 44 75 CONECT 44 43 19 14 CONECT 45 7 46 76 CONECT 46 45 47 5 CONECT 47 46 48 77 CONECT 48 47 49 3 CONECT 49 48 78 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 4 CONECT 54 6 CONECT 55 11 CONECT 56 11 CONECT 57 12 CONECT 58 13 CONECT 59 13 CONECT 60 16 CONECT 61 20 CONECT 62 25 CONECT 63 25 CONECT 64 26 CONECT 65 26 CONECT 66 30 CONECT 67 33 CONECT 68 33 CONECT 69 33 CONECT 70 35 CONECT 71 39 CONECT 72 39 CONECT 73 39 CONECT 74 41 CONECT 75 43 CONECT 76 45 CONECT 77 47 CONECT 78 49 MASTER 0 0 0 0 0 0 0 0 78 0 172 0 END