[ViewVC] Contents of: group/trunk/SHAPES/samples/DOBAMBC.pdb

Revision:	1301
Committed:	Thu Jun 24 21:21:04 2004 UTC (21 years, 1 month ago) by chrisfen
File size:	10994 byte(s)
Error occurred while calculating annotation data.
Log Message:	More samples added

File Contents

#	Content
1	COMPND DOBAMBC.pdb HETATM 19 O -8.117 -6.027 3.695 HETATM 21 C -8.042 -4.822 3.527 HETATM 23 C -6.969 -4.058 2.860 HETATM 24 O -9.042 -4.015 3.988 HETATM 25 C -5.882 -4.661 2.357 HETATM 26 C -10.148 -4.623 4.657 HETATM 28 C -4.813 -3.922 1.695 HETATM 30 C -4.876 -2.531 1.550 HETATM 31 C -3.703 -4.613 1.196 HETATM 32 C -11.126 -3.494 5.016 HETATM 33 C -3.850 -1.846 0.918 HETATM 36 C -2.677 -3.926 0.563 HETATM 39 C -2.740 -2.535 0.418 HETATM 41 C -1.654 -1.830 -0.247 HETATM 43 C -1.646 -0.500 -0.425 HETATM 45 C -0.561 0.207 -1.090 HETATM 47 C -0.628 1.600 -1.240 HETATM 48 C 0.551 -0.479 -1.585 HETATM 49 C -12.022 -3.916 6.183 HETATM 50 C 0.394 2.291 -1.869 HETATM 51 C -11.968 -3.095 3.814 HETATM 53 C 1.586 0.196 -2.219 HETATM 56 C 1.507 1.586 -2.361 HETATM 58 O 2.447 2.389 -2.964 HETATM 59 C 3.613 1.752 -3.475 HETATM 60 C 4.481 2.860 -4.067 HETATM 63 C 5.757 2.273 -4.648 HETATM 66 C 6.639 3.359 -5.243 HETATM 69 C 7.915 2.774 -5.828 HETATM 72 C 8.800 3.859 -6.421 HETATM 75 C 10.072 3.274 -7.009 HETATM 78 C 10.957 4.359 -7.600 HETATM 81 C 12.230 3.775 -8.193 HETATM 84 C 13.113 4.852 -8.780 HETATM 93 C -12.896 -5.120 5.863 HETATM 97 C -13.935 -5.356 6.934 HETATM 27 H -7.084 -2.963 2.784 HETATM 29 H -5.757 -5.751 2.427 HETATM 34 H -9.784 -5.143 5.564 HETATM 42 H -10.622 -5.378 4.000 HETATM 35 H -5.753 -1.998 1.947 HETATM 37 H -3.645 -5.703 1.304 HETATM 90 H -10.540 -2.600 5.348 HETATM 38 H -3.890 -0.752 0.800 HETATM 40 H -1.811 -4.476 0.175 HETATM 44 H -0.808 -2.435 -0.616 HETATM 46 H -2.492 0.106 -0.057 HETATM 52 H -1.497 2.147 -0.855 HETATM 54 H 0.590 -1.573 -1.461 HETATM 91 H -12.664 -3.058 6.465 HETATM 92 H -11.400 -4.130 7.076 HETATM 55 H 0.335 3.380 -1.982 HETATM 94 H -12.534 -2.176 4.014 HETATM 95 H -12.700 -3.884 3.572 HETATM 96 H -11.352 -2.919 2.925 HETATM 57 H 2.443 -0.373 -2.595 HETATM 61 H 3.335 1.006 -4.246 HETATM 62 H 4.145 1.216 -2.664 HETATM 64 H 4.727 3.613 -3.292 HETATM 65 H 3.923 3.411 -4.851 HETATM 67 H 5.510 1.520 -5.424 HETATM 68 H 6.313 1.721 -3.864 HETATM 70 H 6.889 4.111 -4.467 HETATM 71 H 6.083 3.913 -6.026 HETATM 73 H 7.666 2.022 -6.604 HETATM 74 H 8.471 2.219 -5.045 HETATM 76 H 9.050 4.609 -5.644 HETATM 77 H 8.242 4.416 -7.202 HETATM 79 H 9.821 2.524 -7.786 HETATM 80 H 10.628 2.716 -6.228 HETATM 82 H 11.212 5.107 -6.823 HETATM 83 H 10.400 4.918 -8.380 HETATM 85 H 11.976 3.027 -8.971 HETATM 86 H 12.785 3.214 -7.414 HETATM 87 H 14.029 4.427 -9.209 HETATM 88 H 13.416 5.586 -8.022 HETATM 89 H 12.600 5.403 -9.581 HETATM 98 H -12.265 -6.024 5.741 HETATM 99 H -13.381 -4.962 4.873 HETATM 100 H -14.546 -6.238 6.708 HETATM 101 H -14.617 -4.500 7.035 HETATM 102 H -13.472 -5.520 7.916 CONECT 19 21 CONECT 21 19 23 24 CONECT 23 21 25 27 CONECT 24 21 26 CONECT 25 23 28 29 CONECT 26 24 32 34 42 CONECT 28 25 30 31 CONECT 30 28 33 35 CONECT 31 28 36 37 CONECT 32 26 49 51 90 CONECT 33 30 39 38 CONECT 36 31 39 40 CONECT 39 33 36 41 CONECT 41 39 43 44 CONECT 43 41 45 46 CONECT 45 43 47 48 CONECT 47 45 50 52 CONECT 48 45 53 54 CONECT 49 32 93 91 92 CONECT 50 47 56 55 CONECT 51 32 94 95 96 CONECT 53 48 56 57 CONECT 56 50 53 58 CONECT 58 56 59 CONECT 59 58 60 61 62 CONECT 60 59 63 64 65 CONECT 63 60 66 67 68 CONECT 66 63 69 70 71 CONECT 69 66 72 73 74 CONECT 72 69 75 76 77 CONECT 75 72 78 79 80 CONECT 78 75 81 82 83 CONECT 81 78 84 85 86 CONECT 84 81 87 88 89 CONECT 93 49 97 98 99 CONECT 97 93 100 101 102 CONECT 27 23 CONECT 29 25 CONECT 34 26 CONECT 42 26 CONECT 35 30 CONECT 37 31 CONECT 90 32 CONECT 38 33 CONECT 40 36 CONECT 44 41 CONECT 46 43 CONECT 52 47 CONECT 54 48 CONECT 91 49 CONECT 92 49 CONECT 55 50 CONECT 94 51 CONECT 95 51 CONECT 96 51 CONECT 57 53 CONECT 61 59 CONECT 62 59 CONECT 64 60 CONECT 65 60 CONECT 67 63 CONECT 68 63 CONECT 70 66 CONECT 71 66 CONECT 73 69 CONECT 74 69 CONECT 76 72 CONECT 77 72 CONECT 79 75 CONECT 80 75 CONECT 82 78 CONECT 83 78 CONECT 85 81 CONECT 86 81 CONECT 87 84 CONECT 88 84 CONECT 89 84 CONECT 98 93 CONECT 99 93 CONECT 100 97 CONECT 101 97 CONECT 102 97 END

Content

COMPND DOBAMBC.pdb HETATM 19 O -8.117 -6.027 3.695 HETATM 21 C -8.042 -4.822 3.527 HETATM 23 C -6.969 -4.058 2.860 HETATM 24 O -9.042 -4.015 3.988 HETATM 25 C -5.882 -4.661 2.357 HETATM 26 C -10.148 -4.623 4.657 HETATM 28 C -4.813 -3.922 1.695 HETATM 30 C -4.876 -2.531 1.550 HETATM 31 C -3.703 -4.613 1.196 HETATM 32 C -11.126 -3.494 5.016 HETATM 33 C -3.850 -1.846 0.918 HETATM 36 C -2.677 -3.926 0.563 HETATM 39 C -2.740 -2.535 0.418 HETATM 41 C -1.654 -1.830 -0.247 HETATM 43 C -1.646 -0.500 -0.425 HETATM 45 C -0.561 0.207 -1.090 HETATM 47 C -0.628 1.600 -1.240 HETATM 48 C 0.551 -0.479 -1.585 HETATM 49 C -12.022 -3.916 6.183 HETATM 50 C 0.394 2.291 -1.869 HETATM 51 C -11.968 -3.095 3.814 HETATM 53 C 1.586 0.196 -2.219 HETATM 56 C 1.507 1.586 -2.361 HETATM 58 O 2.447 2.389 -2.964 HETATM 59 C 3.613 1.752 -3.475 HETATM 60 C 4.481 2.860 -4.067 HETATM 63 C 5.757 2.273 -4.648 HETATM 66 C 6.639 3.359 -5.243 HETATM 69 C 7.915 2.774 -5.828 HETATM 72 C 8.800 3.859 -6.421 HETATM 75 C 10.072 3.274 -7.009 HETATM 78 C 10.957 4.359 -7.600 HETATM 81 C 12.230 3.775 -8.193 HETATM 84 C 13.113 4.852 -8.780 HETATM 93 C -12.896 -5.120 5.863 HETATM 97 C -13.935 -5.356 6.934 HETATM 27 H -7.084 -2.963 2.784 HETATM 29 H -5.757 -5.751 2.427 HETATM 34 H -9.784 -5.143 5.564 HETATM 42 H -10.622 -5.378 4.000 HETATM 35 H -5.753 -1.998 1.947 HETATM 37 H -3.645 -5.703 1.304 HETATM 90 H -10.540 -2.600 5.348 HETATM 38 H -3.890 -0.752 0.800 HETATM 40 H -1.811 -4.476 0.175 HETATM 44 H -0.808 -2.435 -0.616 HETATM 46 H -2.492 0.106 -0.057 HETATM 52 H -1.497 2.147 -0.855 HETATM 54 H 0.590 -1.573 -1.461 HETATM 91 H -12.664 -3.058 6.465 HETATM 92 H -11.400 -4.130 7.076 HETATM 55 H 0.335 3.380 -1.982 HETATM 94 H -12.534 -2.176 4.014 HETATM 95 H -12.700 -3.884 3.572 HETATM 96 H -11.352 -2.919 2.925 HETATM 57 H 2.443 -0.373 -2.595 HETATM 61 H 3.335 1.006 -4.246 HETATM 62 H 4.145 1.216 -2.664 HETATM 64 H 4.727 3.613 -3.292 HETATM 65 H 3.923 3.411 -4.851 HETATM 67 H 5.510 1.520 -5.424 HETATM 68 H 6.313 1.721 -3.864 HETATM 70 H 6.889 4.111 -4.467 HETATM 71 H 6.083 3.913 -6.026 HETATM 73 H 7.666 2.022 -6.604 HETATM 74 H 8.471 2.219 -5.045 HETATM 76 H 9.050 4.609 -5.644 HETATM 77 H 8.242 4.416 -7.202 HETATM 79 H 9.821 2.524 -7.786 HETATM 80 H 10.628 2.716 -6.228 HETATM 82 H 11.212 5.107 -6.823 HETATM 83 H 10.400 4.918 -8.380 HETATM 85 H 11.976 3.027 -8.971 HETATM 86 H 12.785 3.214 -7.414 HETATM 87 H 14.029 4.427 -9.209 HETATM 88 H 13.416 5.586 -8.022 HETATM 89 H 12.600 5.403 -9.581 HETATM 98 H -12.265 -6.024 5.741 HETATM 99 H -13.381 -4.962 4.873 HETATM 100 H -14.546 -6.238 6.708 HETATM 101 H -14.617 -4.500 7.035 HETATM 102 H -13.472 -5.520 7.916 CONECT 19 21 CONECT 21 19 23 24 CONECT 23 21 25 27 CONECT 24 21 26 CONECT 25 23 28 29 CONECT 26 24 32 34 42 CONECT 28 25 30 31 CONECT 30 28 33 35 CONECT 31 28 36 37 CONECT 32 26 49 51 90 CONECT 33 30 39 38 CONECT 36 31 39 40 CONECT 39 33 36 41 CONECT 41 39 43 44 CONECT 43 41 45 46 CONECT 45 43 47 48 CONECT 47 45 50 52 CONECT 48 45 53 54 CONECT 49 32 93 91 92 CONECT 50 47 56 55 CONECT 51 32 94 95 96 CONECT 53 48 56 57 CONECT 56 50 53 58 CONECT 58 56 59 CONECT 59 58 60 61 62 CONECT 60 59 63 64 65 CONECT 63 60 66 67 68 CONECT 66 63 69 70 71 CONECT 69 66 72 73 74 CONECT 72 69 75 76 77 CONECT 75 72 78 79 80 CONECT 78 75 81 82 83 CONECT 81 78 84 85 86 CONECT 84 81 87 88 89 CONECT 93 49 97 98 99 CONECT 97 93 100 101 102 CONECT 27 23 CONECT 29 25 CONECT 34 26 CONECT 42 26 CONECT 35 30 CONECT 37 31 CONECT 90 32 CONECT 38 33 CONECT 40 36 CONECT 44 41 CONECT 46 43 CONECT 52 47 CONECT 54 48 CONECT 91 49 CONECT 92 49 CONECT 55 50 CONECT 94 51 CONECT 95 51 CONECT 96 51 CONECT 57 53 CONECT 61 59 CONECT 62 59 CONECT 64 60 CONECT 65 60 CONECT 67 63 CONECT 68 63 CONECT 70 66 CONECT 71 66 CONECT 73 69 CONECT 74 69 CONECT 76 72 CONECT 77 72 CONECT 79 75 CONECT 80 75 CONECT 82 78 CONECT 83 78 CONECT 85 81 CONECT 86 81 CONECT 87 84 CONECT 88 84 CONECT 89 84 CONECT 98 93 CONECT 99 93 CONECT 100 97 CONECT 101 97 CONECT 102 97 END