HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: capsicoside A SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 4.494 -8.508 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 3.859 -7.104 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 4.757 -5.853 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 6.290 -6.005 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 7.188 -4.755 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 5.850 -3.992 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 7.806 -3.344 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 9.339 -3.496 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 10.668 -2.719 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 11.818 -3.743 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 13.349 -3.573 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 13.968 -2.163 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 15.498 -1.993 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 16.410 -3.234 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 17.941 -3.065 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 18.853 -4.305 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 20.384 -4.136 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 21.002 -2.725 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 20.090 -1.485 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 20.708 -0.074 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 19.796 1.166 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 20.415 2.577 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 22.239 0.095 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 22.858 1.506 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 23.151 -1.145 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 24.682 -0.976 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 25.300 0.435 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 24.388 1.675 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 25.007 3.086 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 24.094 4.326 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 24.713 5.737 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 26.537 3.255 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 27.156 4.666 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 28.686 4.835 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 29.598 3.594 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 31.129 3.764 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 32.041 2.523 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 33.572 2.693 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 31.748 5.174 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 33.278 5.344 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 30.835 6.415 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 31.454 7.826 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 32.984 7.995 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 33.897 6.755 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 35.427 6.924 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 36.340 5.683 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 37.870 5.853 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 36.046 8.334 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 37.576 8.504 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 35.133 9.575 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 35.752 10.986 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 33.603 9.406 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 32.691 10.646 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 29.305 6.246 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 28.393 7.486 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 29.011 8.897 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 28.099 10.137 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 28.717 11.548 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 27.805 12.789 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 26.274 12.619 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 30.248 11.717 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 30.866 13.128 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 31.160 10.477 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 32.299 11.514 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 30.542 9.066 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 32.009 8.599 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 27.450 2.015 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 28.980 2.184 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 26.831 0.604 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 27.743 -0.637 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 22.533 -2.556 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 23.445 -3.797 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 18.235 -5.716 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 19.147 -6.957 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 16.704 -5.885 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 15.792 -4.645 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 15.173 -6.055 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 14.261 -4.814 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 13.643 -6.225 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 12.112 -6.394 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 11.200 -5.153 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 10.437 -6.491 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 9.668 -5.001 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 8.338 -5.778 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 8.186 -7.311 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 2.327 -6.952 0.000 0.00 0.00 C+0 HETATM 87 O UNK 0 1.429 -8.203 0.000 0.00 0.00 O+0 HETATM 88 C UNK 0 -0.104 -8.050 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 -0.738 -6.647 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 -2.270 -6.495 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 -2.905 -5.092 0.000 0.00 0.00 C+0 HETATM 92 O UNK 0 -2.007 -3.840 0.000 0.00 0.00 O+0 HETATM 93 C UNK 0 -3.169 -7.746 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 -4.701 -7.593 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 -2.534 -9.149 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 -3.433 -10.400 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 -1.002 -9.301 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 -0.368 -10.705 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 86 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 7 84 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 83 CONECT 9 8 10 CONECT 10 9 11 81 CONECT 11 10 12 78 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 76 CONECT 15 14 16 CONECT 16 15 17 73 CONECT 17 16 18 CONECT 18 17 19 71 CONECT 19 18 20 CONECT 20 19 21 23 CONECT 21 20 22 CONECT 22 21 CONECT 23 20 24 25 CONECT 24 23 CONECT 25 23 26 71 CONECT 26 25 27 CONECT 27 26 28 69 CONECT 28 27 29 CONECT 29 28 30 32 CONECT 30 29 31 CONECT 31 30 CONECT 32 29 33 67 CONECT 33 32 34 CONECT 34 33 35 54 CONECT 35 34 36 CONECT 36 35 37 39 CONECT 37 36 38 CONECT 38 37 CONECT 39 36 40 41 CONECT 40 39 CONECT 41 39 42 54 CONECT 42 41 43 CONECT 43 42 44 52 CONECT 44 43 45 CONECT 45 44 46 48 CONECT 46 45 47 CONECT 47 46 CONECT 48 45 49 50 CONECT 49 48 CONECT 50 48 51 52 CONECT 51 50 CONECT 52 50 43 53 CONECT 53 52 CONECT 54 41 34 55 CONECT 55 54 56 CONECT 56 55 57 65 CONECT 57 56 58 CONECT 58 57 59 61 CONECT 59 58 60 CONECT 60 59 CONECT 61 58 62 63 CONECT 62 61 CONECT 63 61 64 65 CONECT 64 63 CONECT 65 63 56 66 CONECT 66 65 CONECT 67 32 68 69 CONECT 68 67 CONECT 69 67 27 70 CONECT 70 69 CONECT 71 25 18 72 CONECT 72 71 CONECT 73 16 74 75 CONECT 74 73 CONECT 75 73 76 CONECT 76 75 14 77 78 CONECT 77 76 CONECT 78 76 11 79 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 10 82 83 CONECT 82 81 CONECT 83 81 8 84 CONECT 84 83 5 85 CONECT 85 84 CONECT 86 2 87 CONECT 87 86 88 CONECT 88 87 89 97 CONECT 89 88 90 CONECT 90 89 91 93 CONECT 91 90 92 CONECT 92 91 CONECT 93 90 94 95 CONECT 94 93 CONECT 95 93 96 97 CONECT 96 95 CONECT 97 95 88 98 CONECT 98 97 MASTER 0 0 0 0 0 0 0 0 98 0 216 0 END