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

Revision:	1301
Committed:	Thu Jun 24 21:21:04 2004 UTC (21 years, 1 month ago) by chrisfen
File size:	11659 byte(s)
Error occurred while calculating annotation data.
Log Message:	More samples added

File Contents

#	Content
1	COMPND MHPOBC.pdb HETATM 1 C -5.344 1.967 -2.265 HETATM 2 C -4.761 2.945 -1.452 HETATM 3 C -4.541 1.138 -3.068 HETATM 5 O -6.690 1.708 -2.377 HETATM 6 C -7.573 2.506 -1.595 HETATM 8 C -3.378 3.085 -1.440 HETATM 10 C -3.164 1.288 -3.038 HETATM 12 C -2.572 2.260 -2.224 HETATM 14 C -1.112 2.405 -2.192 HETATM 15 C -8.983 2.013 -1.909 HETATM 16 C -0.526 3.671 -2.287 HETATM 17 C -0.297 1.277 -2.061 HETATM 18 C 0.856 3.809 -2.250 HETATM 19 C 1.085 1.411 -2.014 HETATM 22 C 1.665 2.679 -2.107 HETATM 25 C 3.141 2.856 -2.077 HETATM 27 O 3.737 2.039 -1.145 HETATM 28 O 3.800 3.619 -2.753 HETATM 29 C 5.109 2.002 -0.952 HETATM 30 C 6.049 2.767 -1.648 HETATM 32 C 5.506 1.096 0.043 HETATM 33 C 6.856 0.967 0.336 HETATM 34 C -10.007 2.809 -1.117 HETATM 39 C 7.804 1.728 -0.353 HETATM 41 C 9.257 1.590 -0.065 HETATM 42 C 7.396 2.624 -1.346 HETATM 43 O 9.523 1.368 1.255 HETATM 44 O 10.169 1.669 -0.867 HETATM 45 C 10.882 1.192 1.690 HETATM 46 C 10.903 1.648 3.146 HETATM 48 C 11.284 -0.285 1.568 HETATM 52 C 12.738 -0.479 1.970 HETATM 55 C 13.105 -1.951 2.038 HETATM 58 C 14.564 -2.139 2.419 HETATM 61 C 14.927 -3.613 2.511 HETATM 64 C 16.378 -3.802 2.890 HETATM 70 C -11.421 2.334 -1.414 HETATM 74 C -12.448 3.129 -0.624 HETATM 77 C -13.861 2.653 -0.921 HETATM 80 C -14.890 3.446 -0.132 HETATM 83 C -16.296 2.975 -0.426 HETATM 7 H -5.369 3.602 -0.819 HETATM 9 H -5.000 0.378 -3.712 HETATM 26 H -7.456 3.576 -1.857 HETATM 31 H -7.339 2.394 -0.519 HETATM 11 H -2.918 3.851 -0.804 HETATM 13 H -2.533 0.644 -3.662 HETATM 36 H -9.076 0.933 -1.672 HETATM 40 H -9.190 2.097 -2.995 HETATM 20 H -1.161 4.558 -2.396 HETATM 23 H -0.751 0.282 -1.991 HETATM 21 H 1.311 4.802 -2.340 HETATM 24 H 1.714 0.520 -1.906 HETATM 37 H 5.685 3.468 -2.424 HETATM 35 H 4.764 0.500 0.586 HETATM 38 H 7.174 0.265 1.116 HETATM 71 H -9.914 3.889 -1.353 HETATM 72 H -9.800 2.722 -0.031 HETATM 73 H 8.140 3.214 -1.895 HETATM 47 H 11.578 1.826 1.086 HETATM 49 H 11.868 1.365 3.598 HETATM 50 H 10.110 1.177 3.742 HETATM 51 H 10.785 2.734 3.238 HETATM 53 H 11.128 -0.639 0.529 HETATM 54 H 10.624 -0.911 2.202 HETATM 56 H 12.912 0.014 2.955 HETATM 57 H 13.402 0.047 1.255 HETATM 59 H 12.902 -2.436 1.062 HETATM 60 H 12.453 -2.471 2.769 HETATM 62 H 14.771 -1.638 3.386 HETATM 63 H 15.218 -1.635 1.678 HETATM 65 H 14.721 -4.112 1.543 HETATM 66 H 14.273 -4.116 3.250 HETATM 67 H 16.638 -4.867 2.956 HETATM 68 H 16.606 -3.349 3.864 HETATM 69 H 17.053 -3.345 2.154 HETATM 75 H -11.515 1.255 -1.177 HETATM 76 H -11.628 2.418 -2.500 HETATM 78 H -12.355 4.208 -0.859 HETATM 79 H -12.240 3.043 0.462 HETATM 81 H -13.955 1.574 -0.683 HETATM 82 H -14.069 2.737 -2.006 HETATM 84 H -14.796 4.525 -0.368 HETATM 85 H -14.681 3.361 0.953 HETATM 86 H -17.037 3.549 0.144 HETATM 87 H -16.431 1.917 -0.165 HETATM 88 H -16.545 3.081 -1.491 CONECT 1 2 3 5 CONECT 2 1 8 7 CONECT 3 1 10 9 CONECT 5 1 6 CONECT 6 5 15 26 31 CONECT 8 2 12 11 CONECT 10 3 12 13 CONECT 12 8 10 14 CONECT 14 12 16 17 CONECT 15 6 34 36 40 CONECT 16 14 18 20 CONECT 17 14 19 23 CONECT 18 16 22 21 CONECT 19 17 22 24 CONECT 22 18 19 25 CONECT 25 22 27 28 CONECT 27 25 29 CONECT 28 25 CONECT 29 27 30 32 CONECT 30 29 42 37 CONECT 32 29 33 35 CONECT 33 32 39 38 CONECT 34 15 70 71 72 CONECT 39 33 41 42 CONECT 41 39 43 44 CONECT 42 30 39 73 CONECT 43 41 45 CONECT 44 41 CONECT 45 43 46 48 47 CONECT 46 45 49 50 51 CONECT 48 45 52 53 54 CONECT 52 48 55 56 57 CONECT 55 52 58 59 60 CONECT 58 55 61 62 63 CONECT 61 58 64 65 66 CONECT 64 61 67 68 69 CONECT 70 34 74 75 76 CONECT 74 70 77 78 79 CONECT 77 74 80 81 82 CONECT 80 77 83 84 85 CONECT 83 80 86 87 88 CONECT 7 2 CONECT 9 3 CONECT 26 6 CONECT 31 6 CONECT 11 8 CONECT 13 10 CONECT 36 15 CONECT 40 15 CONECT 20 16 CONECT 23 17 CONECT 21 18 CONECT 24 19 CONECT 37 30 CONECT 35 32 CONECT 38 33 CONECT 71 34 CONECT 72 34 CONECT 73 42 CONECT 47 45 CONECT 49 46 CONECT 50 46 CONECT 51 46 CONECT 53 48 CONECT 54 48 CONECT 56 52 CONECT 57 52 CONECT 59 55 CONECT 60 55 CONECT 62 58 CONECT 63 58 CONECT 65 61 CONECT 66 61 CONECT 67 64 CONECT 68 64 CONECT 69 64 CONECT 75 70 CONECT 76 70 CONECT 78 74 CONECT 79 74 CONECT 81 77 CONECT 82 77 CONECT 84 80 CONECT 85 80 CONECT 86 83 CONECT 87 83 CONECT 88 83 END

Content

COMPND MHPOBC.pdb HETATM 1 C -5.344 1.967 -2.265 HETATM 2 C -4.761 2.945 -1.452 HETATM 3 C -4.541 1.138 -3.068 HETATM 5 O -6.690 1.708 -2.377 HETATM 6 C -7.573 2.506 -1.595 HETATM 8 C -3.378 3.085 -1.440 HETATM 10 C -3.164 1.288 -3.038 HETATM 12 C -2.572 2.260 -2.224 HETATM 14 C -1.112 2.405 -2.192 HETATM 15 C -8.983 2.013 -1.909 HETATM 16 C -0.526 3.671 -2.287 HETATM 17 C -0.297 1.277 -2.061 HETATM 18 C 0.856 3.809 -2.250 HETATM 19 C 1.085 1.411 -2.014 HETATM 22 C 1.665 2.679 -2.107 HETATM 25 C 3.141 2.856 -2.077 HETATM 27 O 3.737 2.039 -1.145 HETATM 28 O 3.800 3.619 -2.753 HETATM 29 C 5.109 2.002 -0.952 HETATM 30 C 6.049 2.767 -1.648 HETATM 32 C 5.506 1.096 0.043 HETATM 33 C 6.856 0.967 0.336 HETATM 34 C -10.007 2.809 -1.117 HETATM 39 C 7.804 1.728 -0.353 HETATM 41 C 9.257 1.590 -0.065 HETATM 42 C 7.396 2.624 -1.346 HETATM 43 O 9.523 1.368 1.255 HETATM 44 O 10.169 1.669 -0.867 HETATM 45 C 10.882 1.192 1.690 HETATM 46 C 10.903 1.648 3.146 HETATM 48 C 11.284 -0.285 1.568 HETATM 52 C 12.738 -0.479 1.970 HETATM 55 C 13.105 -1.951 2.038 HETATM 58 C 14.564 -2.139 2.419 HETATM 61 C 14.927 -3.613 2.511 HETATM 64 C 16.378 -3.802 2.890 HETATM 70 C -11.421 2.334 -1.414 HETATM 74 C -12.448 3.129 -0.624 HETATM 77 C -13.861 2.653 -0.921 HETATM 80 C -14.890 3.446 -0.132 HETATM 83 C -16.296 2.975 -0.426 HETATM 7 H -5.369 3.602 -0.819 HETATM 9 H -5.000 0.378 -3.712 HETATM 26 H -7.456 3.576 -1.857 HETATM 31 H -7.339 2.394 -0.519 HETATM 11 H -2.918 3.851 -0.804 HETATM 13 H -2.533 0.644 -3.662 HETATM 36 H -9.076 0.933 -1.672 HETATM 40 H -9.190 2.097 -2.995 HETATM 20 H -1.161 4.558 -2.396 HETATM 23 H -0.751 0.282 -1.991 HETATM 21 H 1.311 4.802 -2.340 HETATM 24 H 1.714 0.520 -1.906 HETATM 37 H 5.685 3.468 -2.424 HETATM 35 H 4.764 0.500 0.586 HETATM 38 H 7.174 0.265 1.116 HETATM 71 H -9.914 3.889 -1.353 HETATM 72 H -9.800 2.722 -0.031 HETATM 73 H 8.140 3.214 -1.895 HETATM 47 H 11.578 1.826 1.086 HETATM 49 H 11.868 1.365 3.598 HETATM 50 H 10.110 1.177 3.742 HETATM 51 H 10.785 2.734 3.238 HETATM 53 H 11.128 -0.639 0.529 HETATM 54 H 10.624 -0.911 2.202 HETATM 56 H 12.912 0.014 2.955 HETATM 57 H 13.402 0.047 1.255 HETATM 59 H 12.902 -2.436 1.062 HETATM 60 H 12.453 -2.471 2.769 HETATM 62 H 14.771 -1.638 3.386 HETATM 63 H 15.218 -1.635 1.678 HETATM 65 H 14.721 -4.112 1.543 HETATM 66 H 14.273 -4.116 3.250 HETATM 67 H 16.638 -4.867 2.956 HETATM 68 H 16.606 -3.349 3.864 HETATM 69 H 17.053 -3.345 2.154 HETATM 75 H -11.515 1.255 -1.177 HETATM 76 H -11.628 2.418 -2.500 HETATM 78 H -12.355 4.208 -0.859 HETATM 79 H -12.240 3.043 0.462 HETATM 81 H -13.955 1.574 -0.683 HETATM 82 H -14.069 2.737 -2.006 HETATM 84 H -14.796 4.525 -0.368 HETATM 85 H -14.681 3.361 0.953 HETATM 86 H -17.037 3.549 0.144 HETATM 87 H -16.431 1.917 -0.165 HETATM 88 H -16.545 3.081 -1.491 CONECT 1 2 3 5 CONECT 2 1 8 7 CONECT 3 1 10 9 CONECT 5 1 6 CONECT 6 5 15 26 31 CONECT 8 2 12 11 CONECT 10 3 12 13 CONECT 12 8 10 14 CONECT 14 12 16 17 CONECT 15 6 34 36 40 CONECT 16 14 18 20 CONECT 17 14 19 23 CONECT 18 16 22 21 CONECT 19 17 22 24 CONECT 22 18 19 25 CONECT 25 22 27 28 CONECT 27 25 29 CONECT 28 25 CONECT 29 27 30 32 CONECT 30 29 42 37 CONECT 32 29 33 35 CONECT 33 32 39 38 CONECT 34 15 70 71 72 CONECT 39 33 41 42 CONECT 41 39 43 44 CONECT 42 30 39 73 CONECT 43 41 45 CONECT 44 41 CONECT 45 43 46 48 47 CONECT 46 45 49 50 51 CONECT 48 45 52 53 54 CONECT 52 48 55 56 57 CONECT 55 52 58 59 60 CONECT 58 55 61 62 63 CONECT 61 58 64 65 66 CONECT 64 61 67 68 69 CONECT 70 34 74 75 76 CONECT 74 70 77 78 79 CONECT 77 74 80 81 82 CONECT 80 77 83 84 85 CONECT 83 80 86 87 88 CONECT 7 2 CONECT 9 3 CONECT 26 6 CONECT 31 6 CONECT 11 8 CONECT 13 10 CONECT 36 15 CONECT 40 15 CONECT 20 16 CONECT 23 17 CONECT 21 18 CONECT 24 19 CONECT 37 30 CONECT 35 32 CONECT 38 33 CONECT 71 34 CONECT 72 34 CONECT 73 42 CONECT 47 45 CONECT 49 46 CONECT 50 46 CONECT 51 46 CONECT 53 48 CONECT 54 48 CONECT 56 52 CONECT 57 52 CONECT 59 55 CONECT 60 55 CONECT 62 58 CONECT 63 58 CONECT 65 61 CONECT 66 61 CONECT 67 64 CONECT 68 64 CONECT 69 64 CONECT 75 70 CONECT 76 70 CONECT 78 74 CONECT 79 74 CONECT 81 77 CONECT 82 77 CONECT 84 80 CONECT 85 80 CONECT 86 83 CONECT 87 83 CONECT 88 83 END