[ViewVC] Contents of: group/trunk/SHAPES/samples/8CB.pdb

Revision:	1301
Committed:	Thu Jun 24 21:21:04 2004 UTC (20 years ago) by chrisfen
File size:	6339 byte(s)
Error occurred while calculating annotation data.
Log Message:	More samples added

File Contents

#	Content
1	COMPND 8CB.pdb HETATM 1 C -3.231 0.731 -4.603 HETATM 2 C -2.111 0.662 -3.577 HETATM 4 C -2.996 1.853 -5.602 HETATM 8 C -2.345 -0.462 -2.580 HETATM 9 C -1.214 -0.546 -1.569 HETATM 12 C -1.450 -1.672 -0.571 HETATM 15 C -0.324 -1.761 0.407 HETATM 18 C -4.116 1.925 -6.628 HETATM 19 C -0.347 -1.003 1.578 HETATM 21 C 0.700 -1.083 2.488 HETATM 25 C 1.788 -1.922 2.233 HETATM 26 C 2.896 -2.008 3.193 HETATM 27 C 1.814 -2.679 1.059 HETATM 28 C -3.884 3.040 -7.623 HETATM 29 C 0.763 -2.600 0.154 HETATM 32 C 2.634 -2.162 4.558 HETATM 34 C 3.679 -2.246 5.468 HETATM 35 C 4.998 -2.172 5.013 HETATM 40 C 5.271 -2.017 3.651 HETATM 41 C 6.074 -2.256 5.943 HETATM 44 C 4.219 -1.937 2.746 HETATM 45 N 6.949 -2.324 6.700 HETATM 3 H -3.317 -0.237 -5.135 HETATM 5 H -4.204 0.877 -4.093 HETATM 6 H -2.026 1.630 -3.043 HETATM 7 H -1.138 0.518 -4.088 HETATM 20 H -2.024 1.707 -6.115 HETATM 23 H -2.907 2.822 -5.071 HETATM 10 H -2.447 -1.427 -3.115 HETATM 11 H -3.311 -0.309 -2.057 HETATM 13 H -1.110 0.418 -1.030 HETATM 14 H -0.248 -0.702 -2.090 HETATM 16 H -1.566 -2.636 -1.106 HETATM 17 H -2.406 -1.510 -0.034 HETATM 33 H -5.087 2.072 -6.115 HETATM 38 H -4.204 0.957 -7.158 HETATM 22 H -1.196 -0.339 1.780 HETATM 24 H 0.675 -0.486 3.406 HETATM 30 H 2.664 -3.340 0.854 HETATM 39 H -4.695 3.091 -8.360 HETATM 42 H -2.946 2.900 -8.177 HETATM 47 H -3.827 4.019 -7.129 HETATM 31 H 0.787 -3.200 -0.764 HETATM 36 H 1.597 -2.220 4.909 HETATM 37 H 3.469 -2.370 6.536 HETATM 43 H 6.306 -1.957 3.296 HETATM 46 H 4.427 -1.816 1.677 CONECT 1 2 4 3 5 CONECT 2 1 8 6 7 CONECT 4 1 18 20 23 CONECT 8 2 9 10 11 CONECT 9 8 12 13 14 CONECT 12 9 15 16 17 CONECT 15 12 19 29 CONECT 18 4 28 33 38 CONECT 19 15 21 22 CONECT 21 19 25 24 CONECT 25 21 26 27 CONECT 26 25 32 44 CONECT 27 25 29 30 CONECT 28 18 39 42 47 CONECT 29 15 27 31 CONECT 32 26 34 36 CONECT 34 32 35 37 CONECT 35 34 40 41 CONECT 40 35 44 43 CONECT 41 35 45 CONECT 44 26 40 46 CONECT 45 41 CONECT 3 1 CONECT 5 1 CONECT 6 2 CONECT 7 2 CONECT 20 4 CONECT 23 4 CONECT 10 8 CONECT 11 8 CONECT 13 9 CONECT 14 9 CONECT 16 12 CONECT 17 12 CONECT 33 18 CONECT 38 18 CONECT 22 19 CONECT 24 21 CONECT 30 27 CONECT 39 28 CONECT 42 28 CONECT 47 28 CONECT 31 29 CONECT 36 32 CONECT 37 34 CONECT 43 40 CONECT 46 44 END

Content

COMPND 8CB.pdb HETATM 1 C -3.231 0.731 -4.603 HETATM 2 C -2.111 0.662 -3.577 HETATM 4 C -2.996 1.853 -5.602 HETATM 8 C -2.345 -0.462 -2.580 HETATM 9 C -1.214 -0.546 -1.569 HETATM 12 C -1.450 -1.672 -0.571 HETATM 15 C -0.324 -1.761 0.407 HETATM 18 C -4.116 1.925 -6.628 HETATM 19 C -0.347 -1.003 1.578 HETATM 21 C 0.700 -1.083 2.488 HETATM 25 C 1.788 -1.922 2.233 HETATM 26 C 2.896 -2.008 3.193 HETATM 27 C 1.814 -2.679 1.059 HETATM 28 C -3.884 3.040 -7.623 HETATM 29 C 0.763 -2.600 0.154 HETATM 32 C 2.634 -2.162 4.558 HETATM 34 C 3.679 -2.246 5.468 HETATM 35 C 4.998 -2.172 5.013 HETATM 40 C 5.271 -2.017 3.651 HETATM 41 C 6.074 -2.256 5.943 HETATM 44 C 4.219 -1.937 2.746 HETATM 45 N 6.949 -2.324 6.700 HETATM 3 H -3.317 -0.237 -5.135 HETATM 5 H -4.204 0.877 -4.093 HETATM 6 H -2.026 1.630 -3.043 HETATM 7 H -1.138 0.518 -4.088 HETATM 20 H -2.024 1.707 -6.115 HETATM 23 H -2.907 2.822 -5.071 HETATM 10 H -2.447 -1.427 -3.115 HETATM 11 H -3.311 -0.309 -2.057 HETATM 13 H -1.110 0.418 -1.030 HETATM 14 H -0.248 -0.702 -2.090 HETATM 16 H -1.566 -2.636 -1.106 HETATM 17 H -2.406 -1.510 -0.034 HETATM 33 H -5.087 2.072 -6.115 HETATM 38 H -4.204 0.957 -7.158 HETATM 22 H -1.196 -0.339 1.780 HETATM 24 H 0.675 -0.486 3.406 HETATM 30 H 2.664 -3.340 0.854 HETATM 39 H -4.695 3.091 -8.360 HETATM 42 H -2.946 2.900 -8.177 HETATM 47 H -3.827 4.019 -7.129 HETATM 31 H 0.787 -3.200 -0.764 HETATM 36 H 1.597 -2.220 4.909 HETATM 37 H 3.469 -2.370 6.536 HETATM 43 H 6.306 -1.957 3.296 HETATM 46 H 4.427 -1.816 1.677 CONECT 1 2 4 3 5 CONECT 2 1 8 6 7 CONECT 4 1 18 20 23 CONECT 8 2 9 10 11 CONECT 9 8 12 13 14 CONECT 12 9 15 16 17 CONECT 15 12 19 29 CONECT 18 4 28 33 38 CONECT 19 15 21 22 CONECT 21 19 25 24 CONECT 25 21 26 27 CONECT 26 25 32 44 CONECT 27 25 29 30 CONECT 28 18 39 42 47 CONECT 29 15 27 31 CONECT 32 26 34 36 CONECT 34 32 35 37 CONECT 35 34 40 41 CONECT 40 35 44 43 CONECT 41 35 45 CONECT 44 26 40 46 CONECT 45 41 CONECT 3 1 CONECT 5 1 CONECT 6 2 CONECT 7 2 CONECT 20 4 CONECT 23 4 CONECT 10 8 CONECT 11 8 CONECT 13 9 CONECT 14 9 CONECT 16 12 CONECT 17 12 CONECT 33 18 CONECT 38 18 CONECT 22 19 CONECT 24 21 CONECT 30 27 CONECT 39 28 CONECT 42 28 CONECT 47 28 CONECT 31 29 CONECT 36 32 CONECT 37 34 CONECT 43 40 CONECT 46 44 END