HEADER PROTEIN 21-FEB-19 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-FEB-19 0 HETATM 1 C UNK 0 -8.015 10.250 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -8.785 8.917 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 -8.015 7.583 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 -10.325 8.917 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 -12.691 4.131 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -11.364 3.350 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -9.958 4.131 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -8.631 3.350 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 -7.304 4.131 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 -5.898 3.350 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.571 4.131 0.000 0.00 0.00 C+0 HETATM 12 N UNK 0 -3.244 3.350 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 -1.839 4.131 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.511 3.350 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 0.816 4.131 0.000 0.00 0.00 C+0 HETATM 16 S UNK 0 2.221 3.350 0.000 0.00 0.00 S+0 HETATM 17 S UNK 0 2.221 1.789 0.000 0.00 0.00 S+0 HETATM 18 C UNK 0 0.894 1.008 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 0.894 -0.553 0.000 0.00 0.00 C+0 HETATM 20 N UNK 0 -0.433 -1.334 0.000 0.00 0.00 N+0 HETATM 21 C UNK 0 -1.839 -0.553 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.166 -1.334 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 -4.493 -0.553 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 -5.898 -1.334 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.226 -0.553 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.553 -1.334 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -1.839 1.008 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -3.166 -5.862 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 -5.898 -2.895 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 -8.553 -2.895 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 -7.226 1.008 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 -8.631 1.789 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -5.898 2.023 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -4.571 5.692 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -1.839 5.692 0.000 0.00 0.00 O+0 HETATM 36 N UNK 0 -0.511 2.023 0.000 0.00 0.00 N+0 HETATM 37 S UNK 0 -3.244 6.473 0.000 0.00 0.00 S+0 HETATM 38 C UNK 0 2.221 -1.334 0.000 0.00 0.00 C+0 HETATM 39 N UNK 0 3.626 -0.553 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 4.954 -1.334 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 6.281 -0.553 0.000 0.00 0.00 C+0 HETATM 42 N UNK 0 7.686 -1.334 0.000 0.00 0.00 N+0 HETATM 43 O UNK 0 2.221 -2.895 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 -9.880 -3.676 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -9.880 -5.237 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -8.553 -6.018 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -7.226 -5.237 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.226 -3.676 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 -8.553 -7.580 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 -9.880 1.008 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 6.281 1.008 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 7.686 -2.895 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 9.170 -3.364 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 10.028 -2.115 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 9.170 -0.865 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 9.638 0.618 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 11.199 0.930 0.000 0.00 0.00 O+0 HETATM 58 N UNK 0 8.623 1.789 0.000 0.00 0.00 N+0 HETATM 59 C UNK 0 8.623 3.350 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 9.950 4.131 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 7.295 4.131 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 11.277 3.350 0.000 0.00 0.00 O+0 HETATM 63 N UNK 0 9.950 5.692 0.000 0.00 0.00 N+0 HETATM 64 C UNK 0 8.623 6.473 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 7.295 5.692 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 8.623 8.035 0.000 0.00 0.00 C+0 HETATM 67 S UNK 0 6.047 6.473 0.000 0.00 0.00 S+0 HETATM 68 N UNK 0 9.950 8.816 0.000 0.00 0.00 N+0 HETATM 69 C UNK 0 11.277 8.035 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 7.295 8.816 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 11.277 6.473 0.000 0.00 0.00 C+0 HETATM 72 N UNK 0 12.683 5.692 0.000 0.00 0.00 N+0 HETATM 73 C UNK 0 12.683 4.131 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 12.605 8.816 0.000 0.00 0.00 C+0 HETATM 75 O UNK 0 13.932 8.035 0.000 0.00 0.00 O+0 HETATM 76 C UNK 0 12.605 10.377 0.000 0.00 0.00 C+0 HETATM 77 S UNK 0 -1.839 -6.643 0.000 0.00 0.00 S+0 HETATM 78 S UNK 0 9.560 -6.643 0.000 0.00 0.00 S+0 HETATM 79 C UNK 0 14.010 3.350 0.000 0.00 0.00 C+0 HETATM 80 N UNK 0 14.010 -3.598 0.000 0.00 0.00 N+0 HETATM 81 O UNK 0 12.683 7.254 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 4.329 -2.895 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 5.110 -4.223 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 6.593 -4.223 0.000 0.00 0.00 O+0 HETATM 85 N UNK 0 4.251 -5.628 0.000 0.00 0.00 N+0 HETATM 86 O UNK 0 15.337 4.131 0.000 0.00 0.00 O+0 HETATM 87 C UNK 0 12.371 -4.847 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 10.809 -4.847 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 13.151 -6.174 0.000 0.00 0.00 C+0 HETATM 90 N UNK 0 14.713 -6.174 0.000 0.00 0.00 N+0 HETATM 91 C UNK 0 16.040 -7.033 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 17.445 -6.253 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 12.371 -7.502 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 16.040 -8.595 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 14.713 -9.375 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 17.367 -9.375 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 17.445 -4.691 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 18.772 -3.910 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 18.772 -2.349 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 17.445 -1.568 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 16.040 -2.349 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 16.040 -3.910 0.000 0.00 0.00 C+0 HETATM 103 O UNK 0 17.445 -0.007 0.000 0.00 0.00 O+0 HETATM 104 O UNK 0 -14.018 3.350 0.000 0.00 0.00 O+0 HETATM 105 O UNK 0 -12.691 5.692 0.000 0.00 0.00 O+0 HETATM 106 H UNK 0 11.277 9.596 0.000 0.00 0.00 H+0 HETATM 107 H UNK 0 11.277 -5.940 0.000 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.073 -2.427 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 CONECT 5 6 104 105 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 32 CONECT 9 8 10 CONECT 10 9 11 33 CONECT 11 10 12 34 CONECT 12 11 13 CONECT 13 12 14 35 CONECT 14 13 15 36 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 38 CONECT 20 19 21 CONECT 21 20 22 27 CONECT 22 21 23 28 108 CONECT 23 22 24 CONECT 24 23 25 29 CONECT 25 24 26 31 CONECT 26 25 30 CONECT 27 21 CONECT 28 22 77 CONECT 29 24 CONECT 30 26 44 48 CONECT 31 25 32 CONECT 32 31 8 50 CONECT 33 10 CONECT 34 11 37 CONECT 35 13 CONECT 36 14 CONECT 37 34 67 CONECT 38 19 39 43 CONECT 39 38 40 CONECT 40 39 41 82 CONECT 41 40 42 51 CONECT 42 41 52 55 CONECT 43 38 CONECT 44 30 45 CONECT 45 44 46 CONECT 46 45 47 49 CONECT 47 46 48 CONECT 48 47 30 CONECT 49 46 CONECT 50 32 CONECT 51 41 CONECT 52 42 53 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 42 56 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 59 CONECT 59 58 60 61 CONECT 60 59 62 63 CONECT 61 59 CONECT 62 60 CONECT 63 60 64 CONECT 64 63 65 66 CONECT 65 64 67 CONECT 66 64 68 70 CONECT 67 37 65 CONECT 68 66 69 CONECT 69 68 71 74 106 CONECT 70 66 CONECT 71 69 72 81 CONECT 72 71 73 CONECT 73 72 79 CONECT 74 69 75 76 CONECT 75 74 CONECT 76 74 CONECT 77 28 78 CONECT 78 77 88 CONECT 79 73 80 86 CONECT 80 79 87 CONECT 81 71 CONECT 82 40 83 CONECT 83 82 84 85 CONECT 84 83 CONECT 85 83 CONECT 86 79 CONECT 87 80 88 89 107 CONECT 88 87 78 CONECT 89 87 90 93 CONECT 90 89 91 CONECT 91 90 92 94 CONECT 92 91 97 CONECT 93 89 CONECT 94 91 95 96 CONECT 95 94 CONECT 96 94 CONECT 97 92 98 102 CONECT 98 97 99 CONECT 99 98 100 CONECT 100 99 101 103 CONECT 101 100 102 CONECT 102 101 97 CONECT 103 100 CONECT 104 5 CONECT 105 5 CONECT 106 69 CONECT 107 87 CONECT 108 22 MASTER 0 0 0 0 0 0 0 0 108 0 224 0 END