HEADER PROTEIN 07-JAN-16 NONE TITLE NULL COMPND MOLECULE: Theasaponin SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JAN-16 0 HETATM 1 O UNK 0 34.276 -17.556 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 31.581 -20.573 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 20.930 -22.080 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 34.315 -14.486 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 32.936 -19.828 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 25.604 -23.734 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 18.100 -21.710 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 36.937 -17.556 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 32.974 -12.178 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 20.798 -24.772 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 18.146 -26.340 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 15.455 -24.830 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 19.477 -27.084 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 14.095 -22.524 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 15.419 -20.182 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 15.472 -26.367 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 23.476 -26.291 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 18.177 -29.419 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 23.516 -29.535 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 20.839 -30.940 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 15.522 -30.991 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 24.860 -28.589 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 12.835 -29.487 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 12.792 -24.846 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 26.258 -24.831 0.000 0.00 0.00 O+0 HETATM 26 O UNK 0 28.831 -26.334 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 28.796 -29.421 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 27.607 -19.780 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 26.272 -19.009 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 28.948 -19.022 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 24.932 -19.768 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 24.932 -21.312 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 30.301 -16.737 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 28.961 -17.477 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 31.538 -17.517 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 23.605 -22.080 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 27.607 -21.327 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 26.293 -17.471 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 30.261 -19.801 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 31.587 -19.049 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 26.266 -22.093 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 27.633 -16.703 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 32.955 -16.763 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 23.605 -19.003 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 30.328 -15.192 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 31.654 -14.453 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 28.281 -18.235 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 22.277 -21.312 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 32.899 -15.231 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 28.927 -20.560 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 24.932 -18.229 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 32.942 -18.296 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 22.277 -19.768 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 24.230 -23.418 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 22.898 -23.419 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 32.337 -13.259 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 30.953 -13.336 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 35.603 -16.782 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 19.438 -22.466 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 34.308 -12.944 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 19.376 -24.008 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 35.627 -12.172 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 18.136 -24.792 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 35.603 -15.231 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 16.776 -22.486 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 16.786 -24.034 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 35.627 -10.644 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 15.420 -21.732 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 20.807 -26.311 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 36.955 -12.936 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 16.810 -27.125 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 22.158 -27.070 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 34.300 -9.888 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 16.833 -28.665 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 22.167 -28.610 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 19.493 -28.635 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 20.836 -29.404 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 15.508 -29.449 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 14.142 -27.139 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 14.156 -28.682 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 24.802 -27.057 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 12.787 -26.391 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 26.161 -26.301 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 27.482 -27.088 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 26.117 -29.390 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 27.467 -28.629 0.000 0.00 0.00 C+0 HETATM 87 H UNK 0 26.266 -20.541 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 24.926 -22.615 0.000 0.00 0.00 H+0 HETATM 89 H UNK 0 30.295 -18.275 0.000 0.00 0.00 H+0 CONECT 1 43 58 CONECT 2 40 CONECT 3 48 59 CONECT 4 49 60 CONECT 5 52 CONECT 6 54 CONECT 7 59 65 CONECT 8 58 CONECT 9 60 CONECT 10 61 69 CONECT 11 63 71 CONECT 12 66 CONECT 13 69 76 CONECT 14 68 CONECT 15 68 CONECT 16 71 79 CONECT 17 72 81 CONECT 18 74 CONECT 19 75 CONECT 20 77 CONECT 21 78 CONECT 22 81 85 CONECT 23 80 CONECT 24 82 CONECT 25 83 CONECT 26 84 CONECT 27 86 CONECT 28 29 30 37 47 CONECT 29 28 31 38 87 CONECT 30 28 34 39 50 CONECT 31 29 32 44 51 CONECT 32 31 36 41 88 CONECT 33 34 35 45 89 CONECT 34 30 33 42 CONECT 35 33 40 43 52 CONECT 36 32 48 54 55 CONECT 37 28 41 CONECT 38 29 42 CONECT 39 30 40 CONECT 40 2 35 39 CONECT 41 32 37 CONECT 42 34 38 CONECT 43 1 35 49 CONECT 44 31 53 CONECT 45 33 46 CONECT 46 45 49 56 57 CONECT 47 28 CONECT 48 3 36 53 CONECT 49 4 43 46 CONECT 50 30 CONECT 51 31 CONECT 52 5 35 CONECT 53 44 48 CONECT 54 6 36 CONECT 55 36 CONECT 56 46 CONECT 57 46 CONECT 58 1 8 64 CONECT 59 3 7 61 CONECT 60 4 9 62 CONECT 61 10 59 63 CONECT 62 60 67 70 CONECT 63 11 61 66 CONECT 64 58 CONECT 65 7 66 68 CONECT 66 12 63 65 CONECT 67 62 73 CONECT 68 14 15 65 CONECT 69 10 13 72 CONECT 70 62 CONECT 71 11 16 74 CONECT 72 17 69 75 CONECT 73 67 CONECT 74 18 71 78 CONECT 75 19 72 77 CONECT 76 13 77 CONECT 77 20 75 76 CONECT 78 21 74 80 CONECT 79 16 80 82 CONECT 80 23 78 79 CONECT 81 17 22 83 CONECT 82 24 79 CONECT 83 25 81 84 CONECT 84 26 83 86 CONECT 85 22 86 CONECT 86 27 84 85 CONECT 87 29 CONECT 88 32 CONECT 89 33 MASTER 0 0 0 0 0 0 0 0 89 0 194 0 END