HEADER PROTEIN 10-MAY-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 10-MAY-21 0 HETATM 1 C UNK 0 16.268 -1.606 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 13.590 -1.223 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 12.949 0.342 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 11.392 0.823 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 11.045 2.246 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 9.195 3.118 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 7.549 2.140 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 7.549 0.636 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 6.179 -0.093 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 6.179 -1.606 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 4.915 0.680 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 4.915 2.140 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 6.277 2.976 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 3.599 2.976 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 3.599 4.675 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 5.120 5.698 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 3.554 -0.049 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 2.291 0.680 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 0.921 -0.049 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.342 0.725 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -1.704 -0.049 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -2.967 0.725 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.328 -0.049 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.600 0.725 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -7.157 0.725 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -8.136 1.366 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -8.136 2.869 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -9.444 3.643 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -9.444 5.209 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -10.769 2.914 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -10.769 1.366 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -9.444 0.636 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -12.077 0.636 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 -12.077 3.643 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 -13.385 2.914 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -14.702 3.643 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -16.018 2.914 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -17.522 3.990 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -16.018 1.366 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -14.702 0.636 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -13.385 1.366 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -13.243 -0.778 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 -13.732 -2.487 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -13.732 -4.044 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -15.040 -4.773 0.000 0.00 0.00 C+0 HETATM 46 N UNK 0 -16.650 -6.134 0.000 0.00 0.00 N+1 HETATM 47 O UNK 0 -18.358 -7.353 0.000 0.00 0.00 O-1 HETATM 48 O UNK 0 -15.734 -7.647 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 -13.687 -5.938 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -16.365 -3.946 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -16.365 -2.442 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -14.995 -1.712 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -17.184 -1.072 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 -17.967 -5.067 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 -20.262 -5.067 0.000 0.00 0.00 C+0 HETATM 56 H UNK 0 -12.291 -2.487 0.000 0.00 0.00 H+0 HETATM 57 O UNK 0 -17.335 0.583 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 -18.696 1.366 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -20.057 0.583 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -20.057 -0.921 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -21.321 -1.712 0.000 0.00 0.00 C+0 HETATM 62 Cl UNK 0 -21.321 -3.216 0.000 0.00 0.00 Cl+0 HETATM 63 C UNK 0 -22.691 -0.921 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -22.691 0.583 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -21.321 1.366 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -21.321 2.869 0.000 0.00 0.00 C+0 HETATM 67 Cl UNK 0 -24.346 1.650 0.000 0.00 0.00 Cl+0 HETATM 68 O UNK 0 -23.999 -1.757 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 -18.945 -1.801 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 -18.945 -3.216 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 -18.696 2.629 0.000 0.00 0.00 O+0 HETATM 72 H UNK 0 -12.086 2.166 0.000 0.00 0.00 H+0 HETATM 73 O UNK 0 -7.059 2.291 0.000 0.00 0.00 O+0 HETATM 74 C UNK 0 -5.600 2.291 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -4.328 3.118 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 -2.967 2.246 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 -4.328 4.622 0.000 0.00 0.00 C+0 HETATM 78 H UNK 0 -6.321 3.536 0.000 0.00 0.00 H+0 HETATM 79 C UNK 0 -6.472 -1.223 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 -4.328 -1.552 0.000 0.00 0.00 O+0 HETATM 81 H UNK 0 -1.713 1.455 0.000 0.00 0.00 H+0 HETATM 82 C UNK 0 -0.342 2.291 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 0.974 3.020 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 2.291 2.335 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 0.974 4.533 0.000 0.00 0.00 C+0 HETATM 86 O UNK 0 -1.650 3.065 0.000 0.00 0.00 O+0 HETATM 87 C UNK 0 -1.650 4.817 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 0.823 -1.552 0.000 0.00 0.00 O+0 HETATM 89 H UNK 0 3.528 1.401 0.000 0.00 0.00 H+0 HETATM 90 O UNK 0 8.910 -0.147 0.000 0.00 0.00 O+0 HETATM 91 C UNK 0 8.910 -1.997 0.000 0.00 0.00 C+0 HETATM 92 H UNK 0 8.795 1.419 0.000 0.00 0.00 H+0 HETATM 93 O UNK 0 12.122 3.358 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 13.679 3.065 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 14.123 1.508 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 14.942 -0.049 0.000 0.00 0.00 O+0 HETATM 97 H UNK 0 15.360 2.228 0.000 0.00 0.00 H+0 HETATM 98 O UNK 0 10.227 -0.147 0.000 0.00 0.00 O+0 HETATM 99 H UNK 0 12.104 -1.117 0.000 0.00 0.00 H+0 HETATM 100 C UNK 0 17.433 -2.389 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 18.848 -1.997 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 19.132 -0.538 0.000 0.00 0.00 C+0 HETATM 103 O UNK 0 20.547 0.049 0.000 0.00 0.00 O+0 HETATM 104 C UNK 0 21.766 1.366 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 21.766 2.976 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 20.493 3.848 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 20.493 5.449 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 21.908 6.179 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 23.082 5.405 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 23.082 3.705 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 24.346 2.825 0.000 0.00 0.00 C+0 HETATM 112 O UNK 0 21.908 7.647 0.000 0.00 0.00 O+0 HETATM 113 O UNK 0 18.990 3.163 0.000 0.00 0.00 O+0 HETATM 114 O UNK 0 23.518 0.093 0.000 0.00 0.00 O+0 HETATM 115 C UNK 0 17.976 0.342 0.000 0.00 0.00 C+0 HETATM 116 O UNK 0 16.508 -0.147 0.000 0.00 0.00 O+0 HETATM 117 O UNK 0 20.209 -3.127 0.000 0.00 0.00 O+0 HETATM 118 C UNK 0 19.230 -4.586 0.000 0.00 0.00 C+0 HETATM 119 O UNK 0 17.291 -4.097 0.000 0.00 0.00 O+0 HETATM 120 H UNK 0 20.236 -1.615 0.000 0.00 0.00 H+0 HETATM 121 H UNK 0 16.045 -2.762 0.000 0.00 0.00 H+0 CONECT 1 2 96 100 116 CONECT 2 1 3 CONECT 3 2 4 95 99 CONECT 4 3 5 98 CONECT 5 4 6 93 CONECT 6 5 7 CONECT 7 6 8 13 92 CONECT 8 7 9 90 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 17 CONECT 12 11 13 14 CONECT 13 12 7 CONECT 14 12 15 CONECT 15 14 16 CONECT 16 15 CONECT 17 11 18 CONECT 18 17 19 84 89 CONECT 19 18 20 88 CONECT 20 19 21 82 CONECT 21 20 22 CONECT 22 21 23 76 81 CONECT 23 22 24 80 CONECT 24 23 25 74 79 CONECT 25 24 26 CONECT 26 25 27 32 73 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 34 CONECT 31 30 32 33 CONECT 32 31 26 CONECT 33 31 CONECT 34 30 35 CONECT 35 34 36 41 72 CONECT 36 35 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 57 CONECT 40 39 41 42 CONECT 41 40 35 CONECT 42 40 43 CONECT 43 42 44 52 56 CONECT 44 43 45 CONECT 45 44 46 49 50 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 CONECT 49 45 CONECT 50 45 51 54 CONECT 51 50 52 53 CONECT 52 51 43 CONECT 53 51 CONECT 54 50 55 CONECT 55 54 CONECT 56 43 CONECT 57 39 58 CONECT 58 57 59 71 CONECT 59 58 60 65 CONECT 60 59 61 69 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 64 68 CONECT 64 63 65 67 CONECT 65 64 59 66 CONECT 66 65 CONECT 67 64 CONECT 68 63 CONECT 69 60 70 CONECT 70 69 CONECT 71 58 CONECT 72 35 CONECT 73 26 74 CONECT 74 73 75 78 24 CONECT 75 74 76 77 CONECT 76 75 22 CONECT 77 75 CONECT 78 74 CONECT 79 24 CONECT 80 23 CONECT 81 22 CONECT 82 20 83 86 CONECT 83 82 84 85 CONECT 84 83 18 CONECT 85 83 CONECT 86 82 87 CONECT 87 86 CONECT 88 19 CONECT 89 18 CONECT 90 8 91 CONECT 91 90 CONECT 92 7 CONECT 93 5 94 CONECT 94 93 95 CONECT 95 94 96 97 3 CONECT 96 95 1 CONECT 97 95 CONECT 98 4 CONECT 99 3 CONECT 100 1 101 119 121 CONECT 101 100 102 117 120 CONECT 102 101 103 115 CONECT 103 102 104 CONECT 104 103 105 114 CONECT 105 104 106 110 CONECT 106 105 107 113 CONECT 107 106 108 CONECT 108 107 109 112 CONECT 109 108 110 CONECT 110 109 105 111 CONECT 111 110 CONECT 112 108 CONECT 113 106 CONECT 114 104 CONECT 115 102 116 CONECT 116 115 1 CONECT 117 101 118 CONECT 118 117 119 CONECT 119 118 100 CONECT 120 101 CONECT 121 100 MASTER 0 0 0 0 0 0 0 0 121 0 266 0 END