r12934 - /1.3/test_suite/shared_data/structures/Indol_test.xyz -- June 09, 2011 - 17:15

Author: bugman
Date: Thu Jun  9 17:15:10 2011
New Revision: 12934

URL: http://svn.gna.org/viewcvs/relax?rev=12934&view=rev
Log:
Added a simple XYZ structure file for the test suite.

This was attached to task #7404 (https://gna.org/task/?7404) by Han.  The 
directory for the file was
given at https://mail.gna.org/public/relax-devel/2011-06/msg00083.html.


Added:
    1.3/test_suite/shared_data/structures/Indol_test.xyz

Added: 1.3/test_suite/shared_data/structures/Indol_test.xyz
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/structures/Indol_test.xyz?rev=12934&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/structures/Indol_test.xyz (added)
+++ 1.3/test_suite/shared_data/structures/Indol_test.xyz Thu Jun  9 17:15:10 
2011
@@ -1,0 +1,18 @@
+16
+1-Indolizinyl  0.000000
+C  0.0784  1.9475 -0.3681
+H -0.3810  2.9138 -0.3681
+C  1.4607  1.6737 -0.3682
+H  2.2470  2.3995 -0.3682
+C  1.6230  0.2782 -0.3682
+H  2.5288 -0.2915 -0.3681
+N  0.3785 -0.2374 -0.3682
+C  0.0106 -1.6200 -0.3682
+H  0.7431 -2.4000 -0.3681
+C -1.3046 -1.9471 -0.3681
+H -1.5908 -2.9782 -0.3682
+C -2.3618 -0.8978 -0.3683
+H -3.3950 -1.1760 -0.3682
+C -2.0081  0.4067 -0.3682
+H -2.7404  1.1867 -0.3682
+C -0.5780  0.7102 -0.3682