HEADER PROTEIN 23-MAY-19 NONE TITLE NULL COMPND MOLECULE: HMDB00809.mol SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-MAY-19 0 HETATM 1 C UNK 0 -14.671 6.545 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -14.671 5.005 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -13.337 4.235 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -12.003 5.005 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 -12.003 6.545 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -13.337 7.315 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -12.003 1.925 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -12.003 0.385 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -10.670 -0.385 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 -9.336 0.385 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 -9.336 1.925 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -10.670 2.695 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -9.336 -2.695 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -9.336 -4.235 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -8.002 -5.005 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -6.668 -4.235 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -6.668 -2.695 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -8.002 -1.925 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.001 -2.695 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.001 -4.235 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.667 -5.005 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -1.334 -4.235 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -1.334 -2.695 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.667 -1.925 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -11.597 -8.685 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -10.607 -9.865 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -9.090 -9.598 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.563 -8.150 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -9.553 -6.971 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -11.070 -7.238 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 -13.337 2.695 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 -10.670 -1.925 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 -11.070 -5.236 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 -5.335 -5.005 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 0.000 -1.925 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -2.667 -6.545 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 -1.334 -7.315 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 -5.335 -1.925 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 -2.667 -0.385 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 -10.670 7.315 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -13.337 8.855 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 -16.005 7.315 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 -16.005 4.235 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 -10.670 8.855 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -8.002 2.695 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 -10.670 4.235 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 -8.002 -0.385 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -8.002 -6.545 0.000 0.00 0.00 O+0 HETATM 49 N UNK 0 -13.337 -0.385 0.000 0.00 0.00 N+0 HETATM 50 O UNK 0 -8.002 4.235 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 -14.671 0.385 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -16.005 -0.385 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 -14.671 1.925 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 -12.587 -6.971 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 -13.576 -8.150 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 -13.113 -5.523 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 -11.133 -11.312 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -12.650 -11.580 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -13.177 -13.027 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 -14.693 -13.294 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 -13.640 -10.400 0.000 0.00 0.00 O+0 HETATM 62 N UNK 0 -8.100 -10.777 0.000 0.00 0.00 N+0 HETATM 63 O UNK 0 -7.047 -7.883 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 -10.143 -12.492 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 -6.584 -10.510 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -5.594 -11.690 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 -6.057 -9.063 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 1.334 -2.695 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 2.667 -1.925 0.000 0.00 0.00 C+0 HETATM 70 N UNK 0 2.667 -0.385 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 4.001 0.385 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 4.001 1.925 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 5.335 2.695 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 5.335 4.235 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 6.668 5.005 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 6.668 6.545 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 8.002 7.315 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 8.002 8.855 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 9.336 9.625 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 9.336 11.165 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 10.670 11.935 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 10.670 13.475 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 12.003 14.245 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 12.003 15.785 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 13.337 16.555 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 13.337 18.095 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 14.671 18.866 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 14.671 20.406 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 16.005 21.176 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 16.005 22.716 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 4.001 -2.695 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 4.001 -4.235 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 5.335 -5.005 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 5.335 -6.545 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 6.668 -7.315 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 6.668 -8.855 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 8.002 -9.625 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 8.002 -11.165 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 9.336 -11.935 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 9.336 -13.475 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 10.670 -14.245 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 10.670 -15.785 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 12.003 -16.555 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 12.003 -18.095 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 13.337 -18.866 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 13.337 -20.406 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 14.671 -21.176 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 14.671 -22.716 0.000 0.00 0.00 C+0 HETATM 109 O UNK 0 5.335 -0.385 0.000 0.00 0.00 O+0 HETATM 110 O UNK 0 5.335 -1.925 0.000 0.00 0.00 O+0 CONECT 1 2 6 42 CONECT 2 1 3 43 CONECT 3 2 4 31 CONECT 4 3 5 CONECT 5 4 6 40 CONECT 6 5 1 41 CONECT 7 8 12 31 CONECT 8 7 9 49 CONECT 9 8 10 32 CONECT 10 9 11 CONECT 11 10 12 45 CONECT 12 11 7 46 CONECT 13 14 18 32 CONECT 14 13 15 33 CONECT 15 14 16 48 CONECT 16 15 17 34 CONECT 17 16 18 CONECT 18 17 13 47 CONECT 19 20 24 38 CONECT 20 19 21 34 CONECT 21 20 22 36 CONECT 22 21 23 CONECT 23 22 24 35 CONECT 24 23 19 39 CONECT 25 26 30 CONECT 26 25 27 57 CONECT 27 26 28 62 CONECT 28 27 29 63 CONECT 29 28 30 CONECT 30 29 25 33 54 CONECT 31 3 7 CONECT 32 9 13 CONECT 33 14 30 CONECT 34 16 20 CONECT 35 23 68 CONECT 36 21 37 CONECT 37 36 CONECT 38 19 CONECT 39 24 CONECT 40 5 44 CONECT 41 6 CONECT 42 1 CONECT 43 2 CONECT 44 40 CONECT 45 11 50 CONECT 46 12 CONECT 47 18 CONECT 48 15 CONECT 49 8 51 CONECT 50 45 CONECT 51 49 52 53 CONECT 52 51 CONECT 53 51 CONECT 54 30 55 56 CONECT 55 54 CONECT 56 54 CONECT 57 26 58 64 CONECT 58 57 59 61 CONECT 59 58 60 CONECT 60 59 CONECT 61 58 CONECT 62 27 65 CONECT 63 28 CONECT 64 57 CONECT 65 62 66 67 CONECT 66 65 CONECT 67 65 CONECT 68 35 69 CONECT 69 68 70 91 CONECT 70 69 71 CONECT 71 70 72 109 CONECT 72 71 73 CONECT 73 72 74 CONECT 74 73 75 CONECT 75 74 76 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 82 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 85 CONECT 85 84 86 CONECT 86 85 87 CONECT 87 86 88 CONECT 88 87 89 CONECT 89 88 90 CONECT 90 89 CONECT 91 69 92 110 CONECT 92 91 93 CONECT 93 92 94 CONECT 94 93 95 CONECT 95 94 96 CONECT 96 95 97 CONECT 97 96 98 CONECT 98 97 99 CONECT 99 98 100 CONECT 100 99 101 CONECT 101 100 102 CONECT 102 101 103 CONECT 103 102 104 CONECT 104 103 105 CONECT 105 104 106 CONECT 106 105 107 CONECT 107 106 108 CONECT 108 107 CONECT 109 71 CONECT 110 91 MASTER 0 0 0 0 0 0 0 0 110 0 228 0 END