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

Revision:	1302
Committed:	Thu Jun 24 21:48:08 2004 UTC (20 years ago) by chrisfen
File size:	9930 byte(s)
Error occurred while calculating annotation data.
Log Message:	Added cholesterol

File Contents

#	Content
1	COMPND cholesterol.pdb HETATM 1 O -7.876 2.722 2.070 HETATM 2 C -6.531 2.280 2.023 HETATM 6 C -5.722 3.377 1.327 HETATM 7 C -6.394 0.962 1.246 HETATM 9 C -4.261 2.973 1.266 HETATM 12 C -4.961 0.577 1.064 HETATM 18 C -4.573 -0.682 1.306 HETATM 20 C -4.018 1.638 0.538 HETATM 21 C -2.543 1.207 0.789 HETATM 22 C -3.193 -1.184 1.097 HETATM 23 C -4.258 1.780 -0.969 HETATM 27 C -1.556 2.204 0.169 HETATM 29 C -2.347 -0.228 0.260 HETATM 31 C -0.873 -0.594 0.337 HETATM 35 C -0.105 1.740 0.207 HETATM 38 C -0.443 -1.976 -0.137 HETATM 42 C 0.020 0.374 -0.475 HETATM 44 C 1.403 -0.340 -0.446 HETATM 45 C -0.394 0.516 -1.943 HETATM 49 C 1.075 -1.843 -0.283 HETATM 50 C 2.389 0.177 0.615 HETATM 56 C 3.800 -0.365 0.360 HETATM 57 C 1.940 -0.170 2.025 HETATM 63 C 4.387 0.189 -0.927 HETATM 65 C 5.709 -0.474 -1.279 HETATM 68 C 6.185 -0.062 -2.673 HETATM 71 C 7.591 -0.577 -2.928 HETATM 73 C 5.228 -0.577 -3.737 HETATM 3 H -8.375 2.022 2.469 HETATM 8 H -6.161 2.142 3.069 HETATM 10 H -5.826 4.337 1.869 HETATM 11 H -6.121 3.563 0.309 HETATM 13 H -6.863 1.059 0.244 HETATM 14 H -6.955 0.157 1.763 HETATM 15 H -3.672 3.770 0.768 HETATM 17 H -3.859 2.902 2.298 HETATM 24 H -5.292 -1.419 1.686 HETATM 26 H -2.364 1.191 1.894 HETATM 28 H -2.728 -1.354 2.091 HETATM 30 H -3.228 -2.179 0.608 HETATM 25 H -4.034 0.827 -1.477 HETATM 32 H -3.586 2.540 -1.402 HETATM 34 H -5.292 2.063 -1.200 HETATM 36 H -1.651 3.181 0.686 HETATM 37 H -1.853 2.390 -0.893 HETATM 33 H -2.705 -0.267 -0.805 HETATM 39 H -0.554 -0.500 1.416 HETATM 41 H 0.543 2.488 -0.289 HETATM 43 H 0.249 1.665 1.261 HETATM 46 H -0.928 -2.246 -1.094 HETATM 47 H -0.728 -2.769 0.579 HETATM 48 H 1.921 -0.184 -1.432 HETATM 53 H 0.366 1.071 -2.511 HETATM 54 H -1.342 1.073 -2.047 HETATM 55 H -0.527 -0.460 -2.427 HETATM 51 H 1.581 -2.249 0.620 HETATM 52 H 1.452 -2.429 -1.138 HETATM 58 H 2.436 1.292 0.522 HETATM 62 H 4.457 -0.107 1.214 HETATM 64 H 3.777 -1.473 0.325 HETATM 59 H 2.615 0.238 2.786 HETATM 60 H 1.889 -1.263 2.158 HETATM 61 H 0.925 0.234 2.206 HETATM 66 H 4.520 1.286 -0.846 HETATM 67 H 3.661 0.039 -1.768 HETATM 69 H 5.611 -1.577 -1.231 HETATM 70 H 6.477 -0.209 -0.525 HETATM 72 H 6.200 1.055 -2.722 HETATM 74 H 7.940 -0.297 -3.930 HETATM 75 H 7.639 -1.672 -2.858 HETATM 76 H 8.306 -0.169 -2.202 HETATM 77 H 5.456 -0.156 -4.724 HETATM 78 H 4.189 -0.306 -3.481 HETATM 79 H 5.269 -1.670 -3.825 CONECT 1 2 3 CONECT 2 1 6 7 8 CONECT 6 2 9 10 11 CONECT 7 2 12 13 14 CONECT 9 6 20 15 17 CONECT 12 7 18 20 CONECT 18 12 22 24 CONECT 20 9 12 21 23 CONECT 21 20 27 29 26 CONECT 22 18 29 28 30 CONECT 23 20 25 32 34 CONECT 27 21 35 36 37 CONECT 29 21 22 31 33 CONECT 31 29 38 42 39 CONECT 35 27 42 41 43 CONECT 38 31 49 46 47 CONECT 42 31 35 44 45 CONECT 44 42 49 50 48 CONECT 45 42 53 54 55 CONECT 49 38 44 51 52 CONECT 50 44 56 57 58 CONECT 56 50 63 62 64 CONECT 57 50 59 60 61 CONECT 63 56 65 66 67 CONECT 65 63 68 69 70 CONECT 68 65 71 73 72 CONECT 71 68 74 75 76 CONECT 73 68 77 78 79 CONECT 3 1 CONECT 8 2 CONECT 10 6 CONECT 11 6 CONECT 13 7 CONECT 14 7 CONECT 15 9 CONECT 17 9 CONECT 24 18 CONECT 26 21 CONECT 28 22 CONECT 30 22 CONECT 25 23 CONECT 32 23 CONECT 34 23 CONECT 36 27 CONECT 37 27 CONECT 33 29 CONECT 39 31 CONECT 41 35 CONECT 43 35 CONECT 46 38 CONECT 47 38 CONECT 48 44 CONECT 53 45 CONECT 54 45 CONECT 55 45 CONECT 51 49 CONECT 52 49 CONECT 58 50 CONECT 62 56 CONECT 64 56 CONECT 59 57 CONECT 60 57 CONECT 61 57 CONECT 66 63 CONECT 67 63 CONECT 69 65 CONECT 70 65 CONECT 72 68 CONECT 74 71 CONECT 75 71 CONECT 76 71 CONECT 77 73 CONECT 78 73 CONECT 79 73 END

Content

COMPND cholesterol.pdb HETATM 1 O -7.876 2.722 2.070 HETATM 2 C -6.531 2.280 2.023 HETATM 6 C -5.722 3.377 1.327 HETATM 7 C -6.394 0.962 1.246 HETATM 9 C -4.261 2.973 1.266 HETATM 12 C -4.961 0.577 1.064 HETATM 18 C -4.573 -0.682 1.306 HETATM 20 C -4.018 1.638 0.538 HETATM 21 C -2.543 1.207 0.789 HETATM 22 C -3.193 -1.184 1.097 HETATM 23 C -4.258 1.780 -0.969 HETATM 27 C -1.556 2.204 0.169 HETATM 29 C -2.347 -0.228 0.260 HETATM 31 C -0.873 -0.594 0.337 HETATM 35 C -0.105 1.740 0.207 HETATM 38 C -0.443 -1.976 -0.137 HETATM 42 C 0.020 0.374 -0.475 HETATM 44 C 1.403 -0.340 -0.446 HETATM 45 C -0.394 0.516 -1.943 HETATM 49 C 1.075 -1.843 -0.283 HETATM 50 C 2.389 0.177 0.615 HETATM 56 C 3.800 -0.365 0.360 HETATM 57 C 1.940 -0.170 2.025 HETATM 63 C 4.387 0.189 -0.927 HETATM 65 C 5.709 -0.474 -1.279 HETATM 68 C 6.185 -0.062 -2.673 HETATM 71 C 7.591 -0.577 -2.928 HETATM 73 C 5.228 -0.577 -3.737 HETATM 3 H -8.375 2.022 2.469 HETATM 8 H -6.161 2.142 3.069 HETATM 10 H -5.826 4.337 1.869 HETATM 11 H -6.121 3.563 0.309 HETATM 13 H -6.863 1.059 0.244 HETATM 14 H -6.955 0.157 1.763 HETATM 15 H -3.672 3.770 0.768 HETATM 17 H -3.859 2.902 2.298 HETATM 24 H -5.292 -1.419 1.686 HETATM 26 H -2.364 1.191 1.894 HETATM 28 H -2.728 -1.354 2.091 HETATM 30 H -3.228 -2.179 0.608 HETATM 25 H -4.034 0.827 -1.477 HETATM 32 H -3.586 2.540 -1.402 HETATM 34 H -5.292 2.063 -1.200 HETATM 36 H -1.651 3.181 0.686 HETATM 37 H -1.853 2.390 -0.893 HETATM 33 H -2.705 -0.267 -0.805 HETATM 39 H -0.554 -0.500 1.416 HETATM 41 H 0.543 2.488 -0.289 HETATM 43 H 0.249 1.665 1.261 HETATM 46 H -0.928 -2.246 -1.094 HETATM 47 H -0.728 -2.769 0.579 HETATM 48 H 1.921 -0.184 -1.432 HETATM 53 H 0.366 1.071 -2.511 HETATM 54 H -1.342 1.073 -2.047 HETATM 55 H -0.527 -0.460 -2.427 HETATM 51 H 1.581 -2.249 0.620 HETATM 52 H 1.452 -2.429 -1.138 HETATM 58 H 2.436 1.292 0.522 HETATM 62 H 4.457 -0.107 1.214 HETATM 64 H 3.777 -1.473 0.325 HETATM 59 H 2.615 0.238 2.786 HETATM 60 H 1.889 -1.263 2.158 HETATM 61 H 0.925 0.234 2.206 HETATM 66 H 4.520 1.286 -0.846 HETATM 67 H 3.661 0.039 -1.768 HETATM 69 H 5.611 -1.577 -1.231 HETATM 70 H 6.477 -0.209 -0.525 HETATM 72 H 6.200 1.055 -2.722 HETATM 74 H 7.940 -0.297 -3.930 HETATM 75 H 7.639 -1.672 -2.858 HETATM 76 H 8.306 -0.169 -2.202 HETATM 77 H 5.456 -0.156 -4.724 HETATM 78 H 4.189 -0.306 -3.481 HETATM 79 H 5.269 -1.670 -3.825 CONECT 1 2 3 CONECT 2 1 6 7 8 CONECT 6 2 9 10 11 CONECT 7 2 12 13 14 CONECT 9 6 20 15 17 CONECT 12 7 18 20 CONECT 18 12 22 24 CONECT 20 9 12 21 23 CONECT 21 20 27 29 26 CONECT 22 18 29 28 30 CONECT 23 20 25 32 34 CONECT 27 21 35 36 37 CONECT 29 21 22 31 33 CONECT 31 29 38 42 39 CONECT 35 27 42 41 43 CONECT 38 31 49 46 47 CONECT 42 31 35 44 45 CONECT 44 42 49 50 48 CONECT 45 42 53 54 55 CONECT 49 38 44 51 52 CONECT 50 44 56 57 58 CONECT 56 50 63 62 64 CONECT 57 50 59 60 61 CONECT 63 56 65 66 67 CONECT 65 63 68 69 70 CONECT 68 65 71 73 72 CONECT 71 68 74 75 76 CONECT 73 68 77 78 79 CONECT 3 1 CONECT 8 2 CONECT 10 6 CONECT 11 6 CONECT 13 7 CONECT 14 7 CONECT 15 9 CONECT 17 9 CONECT 24 18 CONECT 26 21 CONECT 28 22 CONECT 30 22 CONECT 25 23 CONECT 32 23 CONECT 34 23 CONECT 36 27 CONECT 37 27 CONECT 33 29 CONECT 39 31 CONECT 41 35 CONECT 43 35 CONECT 46 38 CONECT 47 38 CONECT 48 44 CONECT 53 45 CONECT 54 45 CONECT 55 45 CONECT 51 49 CONECT 52 49 CONECT 58 50 CONECT 62 56 CONECT 64 56 CONECT 59 57 CONECT 60 57 CONECT 61 57 CONECT 66 63 CONECT 67 63 CONECT 69 65 CONECT 70 65 CONECT 72 68 CONECT 74 71 CONECT 75 71 CONECT 76 71 CONECT 77 73 CONECT 78 73 CONECT 79 73 END