Index: tests/Makefile.am
===================================================================
--- tests/Makefile.am	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
+++ tests/Makefile.am	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -2,4 +2,6 @@
 EXTRA_DIST = testsuite.at $(TESTSUITE) atlocal.in regression
 TESTSUITE = $(srcdir)/testsuite
+
+SUBDIRS = Tesselations
 
 check-local: atconfig atlocal package.m4 $(TESTSUITE)
Index: tests/Tesselations/1_2-dimethoxyethane.test
===================================================================
--- tests/Tesselations/1_2-dimethoxyethane.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/1_2-dimethoxyethane.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/1_2-dimethoxyethane/1_2-dimethoxyethane.xyz
===================================================================
--- tests/Tesselations/1_2-dimethoxyethane/1_2-dimethoxyethane.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/1_2-dimethoxyethane/1_2-dimethoxyethane.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,18 @@
+16
+NCI NSC 60542 2,5-Dioxahexane
+C    0.7375   -0.7635   -0.2032
+C   -0.7375   -0.7635    0.2032
+O    1.3757    0.4033    0.3196
+O   -1.3757    0.4033   -0.3196
+C    2.7430    0.3456   -0.0917
+C   -2.7430    0.3456    0.0917
+H    1.2243   -1.6534    0.1956
+H    0.8147   -0.7635   -1.2905
+H   -1.2243   -1.6534   -0.1956
+H   -0.8147   -0.7635    1.2905
+H    3.2732    1.2200    0.2858
+H    3.2041   -0.5585    0.3057
+H    2.7946    0.3315   -1.1804
+H   -3.2732    1.2200   -0.2858
+H   -3.2041   -0.5585   -0.3057
+H   -2.7946    0.3315    1.1804
Index: tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat
===================================================================
--- tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,36 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H10_ H15_ H16", N=12, E=20, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+9.6489 7.0567 6.6101 2
+6.8975 7.0567 5.9709 2
+9.4975 5 6.4861 0
+9.0879 5.8899 5 0
+7.0489 5 6.0949 0
+7.4585 5.8899 7.581 0
+11.5464 7.8734 6.5763 0
+11.4773 6.0949 6.5962 1
+11.0678 6.9849 5.1101 1
+5 7.8734 6.0047 0
+5.0691 6.0949 5.9848 1
+5.4786 6.9849 7.4709 1
+
+7 8 9
+4 8 9
+1 7 9
+3 4 8
+2 4 9
+1 7 8
+1 2 9
+3 4 5
+3 6 8
+2 4 11
+1 6 8
+1 2 12
+3 5 6
+4 5 11
+2 10 11
+1 6 12
+2 10 12
+5 6 11
+10 11 12
+6 11 12
Index: tests/Tesselations/1_2-dimethylbenzene.test
===================================================================
--- tests/Tesselations/1_2-dimethylbenzene.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/1_2-dimethylbenzene.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/1_2-dimethylbenzene/1_2-dimethylbenzene.xyz
===================================================================
--- tests/Tesselations/1_2-dimethylbenzene/1_2-dimethylbenzene.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/1_2-dimethylbenzene/1_2-dimethylbenzene.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,20 @@
+18
+NCI NSC 60920 3, 4-Xylene
+C    1.8161   -1.4446    0.0014
+C    0.5110   -0.6911    0.0019
+C    0.5110    0.6911    0.0003
+C   -0.6863   -1.3823   -0.0018
+C    1.8161    1.4446   -0.0020
+C   -0.6863    1.3824    0.0003
+C   -1.8832   -0.6913   -0.0014
+C   -1.8832    0.6913    0.0023
+H    2.1318   -1.6250    1.0290
+H    1.6853   -2.3976   -0.5112
+H    2.5753   -0.8561   -0.5138
+H   -0.6863   -2.4623   -0.0054
+H    2.1297    1.6250   -1.0302
+H    1.6864    2.3976    0.5109
+H    2.5763    0.8561    0.5118
+H   -0.6863    2.4624   -0.0010
+H   -2.8186   -1.2313   -0.0047
+H   -2.8186    1.2313    0.0027
Index: tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat
===================================================================
--- tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,43 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- C07_ C08_ H09", N=14, E=25, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+8.3296 6.7712 6.0321 3
+8.3296 8.1534 6.0305 3
+7.1323 6.08 6.0284 2
+7.1323 8.8447 6.0305 3
+5.9354 6.771 6.0288 0
+5.9354 8.1536 6.0325 1
+9.9504 5.8373 7.0592 2
+9.5039 5.0647 5.519 1
+10.3939 6.6062 5.5164 0
+7.1323 5 6.0248 0
+9.9483 9.0873 5 2
+9.505 9.8599 6.5411 1
+10.3949 8.3184 6.542 0
+7.1323 9.9247 6.0292 0
+
+9 11 13
+8 9 11
+11 12 13
+7 8 9
+1 8 11
+11 12 14
+7 12 13
+7 8 10
+7 9 13
+1 3 8
+1 3 11
+4 11 14
+4 12 14
+2 7 12
+3 7 10
+3 8 10
+3 5 11
+4 6 11
+2 4 12
+2 4 7
+3 5 7
+5 6 11
+4 6 14
+4 6 7
+5 6 7
Index: tests/Tesselations/1_2-dimethylbenzene/tecplot.phy
===================================================================
--- tests/Tesselations/1_2-dimethylbenzene/tecplot.phy	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/1_2-dimethylbenzene/tecplot.phy	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,7 @@
+#!PHY 700
+800 600 3.8976857490864802e+01 3.8585209003215432e+01 401
+
+
+
+
+
Index: tests/Tesselations/2-methylcyclohexanone.test
===================================================================
--- tests/Tesselations/2-methylcyclohexanone.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/2-methylcyclohexanone.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/2-methylcyclohexanone/2-methylcyclohexanone.xyz
===================================================================
--- tests/Tesselations/2-methylcyclohexanone/2-methylcyclohexanone.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/2-methylcyclohexanone/2-methylcyclohexanone.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,22 @@
+20
+NCI NSC 524 2-Metilcicloesanone (ITALIAN)
+C    2.1538   -0.9828   -0.0592
+C    0.7532   -0.6233    0.4408
+C    0.4585    0.8269    0.1271
+C   -0.2867   -1.4963   -0.2695
+O    1.3238    1.5584   -0.2904
+C   -0.9481    1.3372    0.3495
+C   -1.6911   -1.0384    0.1276
+C   -1.9262    0.3931   -0.3574
+H    2.8899   -0.3488    0.4350
+H    2.3635   -2.0280    0.1680
+H    2.2058   -0.8277   -1.1369
+H    0.6964   -0.7839    1.5174
+H   -0.1649   -1.4016   -1.3485
+H   -0.1477   -2.5373    0.0223
+H   -1.1657    1.3573    1.4173
+H   -1.0433    2.3407   -0.0654
+H   -2.4294   -1.7002   -0.3251
+H   -1.7907   -1.0743    1.2124
+H   -2.9493    0.6912   -0.1280
+H   -1.7656    0.4430   -1.4344
Index: tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat
===================================================================
--- tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,39 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H15_ H18_ H19", N=13, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+9.2731 9.0957 6.144 1
+10.8392 7.1885 6.8694 0
+10.3128 5.5093 6.6024 0
+10.1551 6.7096 5.2975 0
+8.6457 6.7534 7.9518 1
+7.7844 6.1357 5.0859 0
+7.8016 5 6.4567 0
+6.7836 8.8946 7.8517 0
+6.906 9.878 6.369 0
+5.5199 5.8371 6.1093 0
+6.1586 6.463 7.6468 0
+5 8.2285 6.3064 0
+6.1837 7.9803 5 0
+
+2 3 4
+3 4 6
+1 2 4
+3 6 7
+4 6 13
+1 2 5
+1 4 13
+3 5 7
+6 7 10
+6 10 13
+1 5 8
+2 3 5
+1 9 13
+5 7 11
+7 10 11
+10 12 13
+1 8 9
+5 8 11
+9 12 13
+10 11 12
+8 9 12
+8 11 12
Index: tests/Tesselations/C16_0-Torus.test
===================================================================
--- tests/Tesselations/C16_0-Torus.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/C16_0-Torus.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz
===================================================================
--- tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8234 @@
+8208
+	generated with Nanotube creator on Sun Jun 22 13:08:30 2008
+C	-40.835	-69.405	-1.22237
+C	-44.1895	-67.3177	-1.21783
+C	-41.9596	-68.7295	-1.21759
+C	-42.7093	-68.6854	-2.39271
+C	-40.4439	-70.0462	-2.3971
+C	-41.3021	-70.214	-3.47539
+C	-47.4342	-65.0726	-1.22178
+C	-45.2868	-66.5846	-1.21795
+C	-46.0335	-66.5038	-2.39305
+C	-43.8293	-67.9764	-2.39282
+C	-44.7031	-68.0996	-3.4757
+C	-42.4473	-69.5278	-3.47549
+C	-43.4264	-69.8386	-4.42442
+C	-41.1161	-71.2171	-4.41813
+C	-42.179	-71.695	-5.19786
+C	-50.5752	-62.6631	-1.22214
+C	-48.4943	-64.2867	-1.2219
+C	-49.2373	-64.1702	-2.39677
+C	-47.11	-65.744	-2.38854
+C	-47.9876	-65.8223	-3.47184
+C	-45.8131	-67.358	-3.4758
+C	-46.7979	-67.6228	-4.42115
+C	-44.5651	-69.1177	-4.42451
+C	-45.6514	-69.5447	-5.20287
+C	-43.3483	-70.9942	-5.19793
+C	-44.5001	-71.5565	-5.77728
+C	-42.1311	-72.9761	-5.77719
+C	-43.324	-73.6407	-6.13389
+C	-53.5871	-60.1063	-1.21759
+C	-51.5953	-61.826	-1.22226
+C	-52.3238	-61.6773	-2.39248
+C	-50.2823	-63.3548	-2.39688
+C	-51.164	-63.3918	-3.47935
+C	-49.0599	-65.0272	-3.47194
+C	-50.0649	-65.2415	-4.42141
+C	-47.8999	-66.8469	-4.42123
+C	-49.0055	-67.2182	-5.2003
+C	-46.7763	-68.7878	-5.20017
+C	-47.9542	-69.2929	-5.77882
+C	-45.6668	-70.8177	-5.77733
+C	-46.881	-71.4233	-6.13298
+C	-44.525	-72.9209	-6.13391
+C	-45.7664	-73.5911	-6.25415
+C	-43.33	-75.0512	-6.25415
+C	-44.5632	-75.7466	-6.13336
+C	-56.4765	-57.4004	-1.21795
+C	-54.565	-59.2202	-1.21771
+C	-55.2917	-59.0307	-2.39282
+C	-53.3276	-60.8117	-2.3926
+C	-54.2098	-60.8044	-3.4755
+C	-52.188	-62.5481	-3.47529
+C	-53.2023	-62.7128	-4.42425
+C	-51.1275	-64.4124	-4.42149
+C	-52.2405	-64.7312	-5.19773
+C	-50.1006	-66.4062	-5.20037
+C	-51.3019	-66.8528	-5.77896
+C	-49.0834	-68.4979	-5.77887
+C	-50.3358	-69.0433	-6.13475
+C	-48.0452	-70.6456	-6.13301
+C	-49.318	-71.2541	-6.25415
+C	-46.9563	-72.8318	-6.25415
+C	-48.2221	-73.466	-6.13427
+C	-45.7986	-75.0063	-6.13334
+C	-47.0226	-75.6271	-5.77802
+C	-44.528	-77.1272	-5.7762
+C	-45.7083	-77.6832	-5.20117
+C	-59.2208	-54.5653	-1.2219
+C	-57.4007	-56.4765	-1.22166
+C	-58.1198	-56.247	-2.38854
+C	-56.2518	-58.1167	-2.39294
+C	-57.1247	-58.0699	-3.47164
+C	-55.1991	-59.908	-3.4756
+C	-56.2201	-60.0217	-4.42451
+C	-54.223	-61.8327	-4.42434
+C	-55.3599	-62.0947	-5.20274
+C	-53.2944	-63.8665	-5.19779
+C	-54.5162	-64.2537	-5.77719
+C	-52.3811	-66.0055	-5.77709
+C	-53.6585	-66.4878	-6.13384
+C	-51.4606	-68.2092	-6.13477
+C	-52.7518	-68.7558	-6.25415
+C	-50.4791	-70.4364	-6.25415
+C	-51.7745	-71.0076	-6.13419
+C	-49.4196	-72.6659	-6.13424
+C	-50.6827	-73.2251	-5.77788
+C	-48.2557	-74.8465	-5.77797
+C	-49.4611	-75.3542	-5.19893
+C	-46.965	-76.9343	-5.19907
+C	-48.0964	-77.3438	-4.42579
+C	-45.5452	-78.877	-4.42242
+C	-46.5762	-79.1743	-3.4773
+C	-61.8251	-51.5943	-1.21735
+C	-60.1071	-53.5876	-1.22202
+C	-60.8131	-53.3284	-2.39688
+C	-59.0326	-55.2925	-2.39665
+C	-59.9098	-55.1926	-3.47195
+C	-58.0688	-57.1261	-3.47174
+C	-59.0944	-57.1906	-4.42123
+C	-57.1883	-59.0963	-4.42106
+C	-58.3364	-59.3013	-5.20017
+C	-56.3701	-61.1793	-5.20281
+C	-57.6009	-61.5079	-5.77873
+C	-55.5619	-63.3517	-5.77723
+C	-56.8615	-63.7707	-6.13391
+C	-54.741	-65.5997	-6.13387
+C	-56.0673	-66.0805	-6.25415
+C	-53.8715	-67.8822	-6.25415
+C	-55.1934	-68.3892	-6.13341
+C	-52.9213	-70.151	-6.13514
+C	-54.2102	-70.6476	-5.77965
+C	-51.8759	-72.3848	-5.77783
+C	-53.0957	-72.8338	-5.20151
+C	-50.6894	-74.5336	-5.19886
+C	-51.8391	-74.8952	-4.4194
+C	-49.3567	-76.5536	-4.41958
+C	-50.4112	-76.79	-3.477
+C	-47.8675	-78.4005	-3.4772
+C	-48.8136	-78.498	-2.39449
+C	-46.2148	-80.0553	-2.39471
+C	-47.0508	-79.9815	-1.21972
+C	-64.2862	-48.4938	-1.21771
+C	-62.6624	-50.5743	-1.21747
+C	-63.3538	-50.2811	-2.3926
+C	-61.6719	-52.3301	-2.39237
+C	-62.5435	-52.1935	-3.47529
+C	-60.8068	-54.2105	-3.47925
+C	-61.826	-54.2211	-4.41796
+C	-60.0237	-56.2146	-4.42132
+C	-61.1806	-56.363	-5.20037
+C	-59.3005	-58.3375	-5.20023
+C	-60.5543	-58.603	-5.77887
+C	-58.6012	-60.5558	-5.77878
+C	-59.92	-60.9115	-6.1347
+C	-57.8893	-62.8325	-6.13296
+C	-59.2376	-63.2477	-6.25415
+C	-57.1427	-65.1529	-6.25415
+C	-58.478	-65.5964	-6.13431
+C	-56.3068	-67.4756	-6.13339
+C	-57.6176	-67.9085	-5.7762
+C	-55.3607	-69.7498	-5.7796
+C	-56.6102	-70.1368	-5.2013
+C	-54.2822	-71.954	-5.20144
+C	-55.4472	-72.2599	-4.42268
+C	-53.0493	-74.038	-4.42285
+C	-54.1137	-74.2306	-3.47365
+C	-51.6611	-75.9609	-3.46969
+C	-52.6043	-76.0075	-2.39877
+C	-50.0935	-77.6876	-2.39438
+C	-50.9248	-77.5718	-1.21936
+C	-48.3552	-79.1998	-1.2196
+C	-49.066	-78.9019	0.0024123
+C	-46.4538	-80.4683	0.00216838
+C	-47.0508	-79.9805	1.22409
+C	-66.5849	-45.2867	-1.22166
+C	-65.0706	-47.4388	-1.22633
+C	-65.7425	-47.1117	-2.38832
+C	-64.169	-49.2353	-2.39271
+C	-65.0332	-49.0569	-3.4756
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+C	-22.0786	-77.3153	0.000109298
+C	-43.3296	-75.0496	6.25415
+C	-40.8916	-75.0195	6.13406
+C	-40.934	-73.6569	5.77823
+C	-38.5021	-74.9568	5.77822
+C	-38.6122	-73.6816	5.20033
+C	-36.1807	-74.9054	5.20032
+C	-36.3731	-73.7569	4.42258
+C	-33.9403	-74.9075	4.42256
+C	-34.2252	-73.9215	3.47485
+C	-31.7882	-75.0017	3.47483
+C	-32.1708	-74.2088	2.39358
+C	-29.7256	-75.2217	2.39356
+C	-30.2064	-74.646	1.22033
+C	-27.7479	-75.5944	1.2203
+C	-28.3231	-75.2524	0.000169352
+C	-25.8457	-76.1388	0.000145331
+C	-42.1337	-72.9773	5.77824
+C	-39.8126	-73.0399	5.20034
+C	-39.9484	-71.8833	4.4226
+C	-37.575	-73.1519	4.42258
+C	-37.8111	-72.1531	3.47488
+C	-35.4301	-73.3516	3.47486
+C	-35.7734	-72.5409	2.39362
+C	-33.3807	-73.6725	2.39359
+C	-33.8328	-73.074	1.22036
+C	-31.4237	-74.1418	1.22034
+C	-31.9814	-73.7719	0.000205385
+C	-29.5505	-74.7789	0.000181363
+C	-41.1192	-71.2201	4.42261
+C	-38.9866	-71.5248	3.47489
+C	-39.2897	-70.6982	2.39365
+C	-36.9555	-71.9459	2.39363
+C	-37.3776	-71.3258	1.2204
+C	-35.0239	-72.5106	1.22037
+C	-35.5627	-72.1138	0.000241417
+C	-33.1842	-73.2388	0.000217396
+C	-40.4412	-70.0459	2.39366
+C	-38.5396	-70.7047	1.22041
+C	-39.0584	-70.282	0.00027745
+C	-36.7379	-71.5223	0.000253428
+
+****************************************
+
+Primitive vectors
+a(1) = 1.228000	2.126958	0.000000
+a(2) = -1.228000	2.126958	0.000000
+a(3) = 0.000000	0.000000	6.696000
+
+Volume = 34.978630
+Reciprocal Vectors
+b(1) = 0.407166	0.235077	-0.000000
+b(2) = -0.407166	0.235077	0.000000
+b(3) = 0.000000	-0.000000	0.149343
+
+****************************************
+
+Axis 0	1	2
+(n,m) 16	0
+factors 1	8
+seed 0
+
+Randomness
+0 0
+1 0
Index: tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat
===================================================================
--- tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,24628 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- C818_ C1839_ C1904", N=8208, E=16416, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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Index: tests/Tesselations/Makefile.am
===================================================================
--- tests/Tesselations/Makefile.am	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/Makefile.am	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,18 @@
+TESTS = 1_2-dimethoxyethane.test \
+1_2-dimethylbenzene.test \
+2-methylcyclohexanone.test \
+cholesterol.test \
+cluster.test \
+cycloheptane.test \
+dimethyl_bromomalonate.test \
+glucose.test \
+heptan.test \
+isoleucine.test \
+neohexane.test \
+N_N-dimethylacetamide.test \
+proline.test \
+putrescine.test \
+round_cluster.test \
+tartaric_acid.test
+#NTorus16_8.test
+#C16_0-Torus.test
Index: tests/Tesselations/N_N-dimethylacetamide.test
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/N_N-dimethylacetamide.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,17 @@
+15
+NCI NSC 3138 NSC3138 N,N-dimethylacetamide
+C    0.0000    0.0000    0.0000
+N    0.2400    0.9600    1.1000
+C    0.0000    0.5800    2.3800
+C   -0.5000   -0.8200    2.6400
+C    0.7600    2.3000    0.7800
+O    0.1600    1.3400    3.3000
+H    0.6164   -0.8635    0.1393
+H   -1.0292   -0.2927    0.0002
+H    0.2393    0.4619   -0.9351
+H   -0.6555   -0.9539    3.6902
+H    0.2242   -1.5274    2.2936
+H   -1.4232   -0.9712    2.1206
+H    0.4218    2.9990    1.5162
+H    0.4063    2.5988   -0.1847
+H    1.8297    2.2759    0.7759
Index: tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,33 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- C03_ O06_ H12", N=11, E=18, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+6.4232 7.1074 8.3151 3
+6.5832 7.8674 9.2351 1
+7.0396 5.6639 6.0744 0
+5.394 6.2347 5.9353 0
+6.6625 6.9893 5 0
+5.7677 5.5735 9.6253 0
+6.6474 5 8.2287 0
+5 5.5562 8.0557 1
+6.845 9.5264 7.4513 1
+6.8295 9.1262 5.7504 0
+8.2529 8.8033 6.711 0
+
+3 5 11
+3 4 5
+5 10 11
+3 4 8
+4 5 10
+9 10 11
+3 7 8
+4 8 9
+4 9 10
+2 9 11
+3 7 11
+6 7 8
+1 8 9
+1 2 9
+2 7 11
+2 6 7
+2 6 8
+1 2 8
Index: tests/Tesselations/cholesterol.test
===================================================================
--- tests/Tesselations/cholesterol.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cholesterol.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat
===================================================================
--- tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,134 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H49_ H50_ H51", N=44, E=86, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+19.4519 9.7871 8.0824 1
+12.9054 5.0485 9.284 1
+13.0326 5.0782 7.5089 3
+14.0427 6.1653 8.4918 4
+10.5908 5.1013 8.4972 2
+11.3559 8.4775 9.4786 3
+11.8277 7.0719 10.4739 1
+14.3069 7.2286 7.1261 4
+11.5412 7.3181 5.0762 2
+12.5659 6.0136 5.7602 1
+9.6557 7.1059 9.7153 2
+10.4863 5 6.1988 0
+9.6183 6.5619 6.1938 1
+13.5795 8.855 10.503 3
+14.1767 7.3442 9.7916 2
+13.2713 9.8535 8.3204 3
+13.8816 8.3823 5 2
+13.1478 9.7624 5.8484 3
+9.3408 8.1724 6.8729 3
+7.3633 6.8086 8.9297 1
+7.9417 6.2044 7.3585 2
+8.2057 5.2436 8.8335 0
+15.7352 9.9982 5.1256 1
+8.4537 9.3077 9.5638 3
+15.3573 10.1541 10.4713 0
+16.4579 10.9701 9.3349 0
+14.7032 11.2503 9.2308 2
+16.2048 8.2172 10.1006 2
+15.7449 7.2346 8.6921 4
+9.244 11.0354 7.9704 5
+8.1672 10.3727 6.7177 3
+17.8035 10.1312 6.2165 0
+17.2305 11.4439 7.2835 0
+18.2902 7.7734 9.165 0
+17.6654 7.7898 7.5028 4
+7.2801 11.5079 9.4086 0
+17.8169 10.2833 9.2438 2
+6.3048 13.3192 8.0242 0
+8.0704 13.2356 7.8152 1
+6.9936 12.5729 6.5625 0
+5.8361 9.6688 8.5834 2
+5 11.2362 8.4728 0
+5.6888 10.4899 7.0111 1
+19.6833 10.7212 7.9874 0
+
+1 32 44
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+20 21 41
+20 24 41
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+20 21 22
Index: tests/Tesselations/cholesterol/cholesterol.xyz
===================================================================
--- tests/Tesselations/cholesterol/cholesterol.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cholesterol/cholesterol.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,76 @@
+74
+NCI NSC 8798 5:6-Cholesten-3-ol
+C    0.5233   -2.9918    0.4529
+C   -0.5691   -1.9223    0.3925
+C   -0.3504   -1.0089   -0.8425
+C   -1.9207   -2.5721    0.1108
+C   -0.4881   -1.0286    1.6162
+C    1.1055   -0.5783   -0.8354
+C   -0.7624   -1.9351   -1.9917
+C   -3.0507   -1.7160    0.6863
+C   -2.0300   -2.6378   -1.4329
+C    0.9499   -0.4944    1.6888
+C    1.3301    0.2716    0.4281
+C    1.3697    0.3126   -2.0561
+C   -3.0696   -0.3571   -0.0164
+C   -4.3894   -2.4231    0.4654
+C    2.8009    0.6600    0.5172
+C    2.7188    0.9560   -1.9356
+C   -4.2243    0.4842    0.5311
+C    2.9310    1.8358    1.4876
+C    3.3535    1.0837   -0.8167
+C    3.6417   -0.4977    1.0504
+C   -4.2432    1.8431   -0.1716
+C    4.7486    1.6873   -0.8101
+C    5.0694   -0.3980    0.5148
+C   -5.3979    2.6844    0.3759
+C    5.5016    1.0566    0.3701
+C   -5.4168    4.0434   -0.3268
+C   -6.7216    1.9604    0.1218
+O    6.9077    1.1106    0.1214
+H    0.3612   -3.6280    1.3230
+H    0.4884   -3.5983   -0.4521
+H    1.4985   -2.5112    0.5308
+H   -1.0035   -0.1376   -0.7920
+H   -1.9534   -3.5752    0.5362
+H   -1.1883   -0.1990    1.5176
+H   -0.7165   -1.6046    2.5129
+H    1.7627   -1.4479   -0.8349
+H   -1.0030   -1.3584   -2.8848
+H    0.0217   -2.6629   -2.2008
+H   -2.8885   -1.5706    1.7543
+H   -2.0579   -3.6765   -1.7622
+H   -2.9259   -2.1146   -1.7672
+H    1.0353    0.1785    2.5420
+H    1.6325   -1.3323    1.8306
+H    0.7271    1.1770    0.3594
+H    1.3374   -0.2942   -2.9610
+H    0.6036    1.0859   -2.1126
+H   -2.1265    0.1587    0.1647
+H   -3.2034   -0.5041   -1.0881
+H   -5.1809   -1.8679    0.9687
+H   -4.6025   -2.4721   -0.6025
+H   -4.3385   -3.4329    0.8725
+H    3.1910    1.3217   -2.8354
+H   -5.1673   -0.0316    0.3501
+H   -4.0905    0.6312    1.6028
+H    2.8131    1.4776    2.5103
+H    3.9137    2.2936    1.3739
+H    2.1590    2.5738    1.2698
+H    3.6606   -0.4593    2.1396
+H    3.2007   -1.4419    0.7311
+H   -3.3002    2.3589    0.0094
+H   -4.3770    1.6962   -1.2433
+H    5.2593    1.4547   -1.7445
+H    4.6863    2.7674   -0.6775
+H    5.7460   -0.9031    1.2040
+H    5.1212   -0.8867   -0.4582
+H   -5.2641    2.8314    1.4476
+H    5.2727    1.6068    1.2828
+H   -6.2394    4.6427    0.0632
+H   -4.4738    4.5591   -0.1458
+H   -5.5506    3.8964   -1.3985
+H   -6.7081    0.9923    0.6224
+H   -7.5442    2.5597    0.5118
+H   -6.8554    1.8134   -0.9499
+H    7.1391    2.0447    0.0264
Index: tests/Tesselations/cluster.test
===================================================================
--- tests/Tesselations/cluster.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cluster.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat
===================================================================
--- tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,1220 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- O4864_ O4865_ O5836", N=434, E=782, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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Index: tests/Tesselations/cluster/cluster.dbond
===================================================================
--- tests/Tesselations/cluster/cluster.dbond	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cluster/cluster.dbond	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
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+1134	20	
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+1424	45	
+1130	4	
+1436	4	
+1130	44	
+1130	3	
+1436	6	
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+1137	36	
+1137	2	
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+1130	1	
+1230	202	
+1186	202	
+1186	1110	
+1459	1110	
+1459	9	
+1427	20	
+1427	17	
+1427	0	
Index: tests/Tesselations/cluster/cluster.xyz
===================================================================
--- tests/Tesselations/cluster/cluster.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cluster/cluster.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,10150 @@
+10148
+	Created by molecuilder on Tue Dec 23 15:00:15 2008
+O	-1.68972	78.8441	67.9367	
+O	-1.02748	75.8971	74.4216	
+O	-3	72.9416	70.1085	
+O	-2.77326	71.6393	72.4656	
+O	-3.92881	75.1942	69.105	
+O	-5.61135	78.3636	67.9707	
+O	-1.34327	76.3144	67.5254	
+O	-0.65206	76.4997	71.0776	
+O	-0.82196	73.1928	71.4737	
+O	-1.34209	67.4126	74.1787	
+O	-2.61512	67.5594	68.3645	
+O	-0.5156	66.9062	71.3812	
+O	-1.33196	70.9813	70.3479	
+O	-0.15444	69.4116	67.1297	
+O	-8.36347	74.789	67.3168	
+O	-8.23919	69.4197	68.6081	
+O	-5.31477	72.9968	68.7691	
+O	-3.15117	70.0942	68.1188	
+O	-3.40864	81.2735	67.3437	
+O	-0.34146	78.8123	62.215	
+O	-0.38368	81.1491	64.7203	
+O	-2.55744	82.0679	61.8442	
+O	-1.66303	80.8178	57.0454	
+O	-3.44007	79.9527	51.5683	
+O	-0.43303	78.8608	54.6757	
+O	-0.5914	80.5982	48.2878	
+O	-2.97251	74.9428	64.4951	
+O	-3.82963	78.2368	64.9875	
+O	-0.70464	78.0364	65.7597	
+O	-2.34992	77.2309	61.7684	
+O	-5.00376	73.3348	64.7706	
+O	-3.03849	73.3595	67.5867	
+O	-1.67672	74.1987	61.0797	
+O	-2.62761	74.1431	57.2423	
+O	-0.49607	77.3952	60.0002	
+O	-4.81773	74.0813	55.8501	
+O	-4.75672	73.318	59.7265	
+O	-2.27111	77.1354	54.7618	
+O	-4.7909	77.0133	52.7236	
+O	-1.87884	77.2278	51.4769	
+O	-4.98564	73.8693	52.6099	
+O	-0.84994	74.9795	51.8297	
+O	-3.63047	72.7012	50.6889	
+O	-3.4273	73.6137	45.8528	
+O	-1.04499	75.842	49.4298	
+O	-1.28871	71.8892	65.5033	
+O	-4.30505	69.0859	62.1502	
+O	-2.06715	68.2116	62.7223	
+O	-3.09095	71.1282	62.9889	
+O	-4.9848	68.4095	67.5983	
+O	-3.02745	68.6448	65.9009	
+O	-0.10659	67.7232	65.1339	
+O	-5.25738	71.4479	61.5748	
+O	-1.46378	68.5336	59.2088	
+O	-3.57029	71.0573	59.6551	
+O	-0.95954	66.1484	60.4767	
+O	-0.84612	70.5026	50.9742	
+O	-1.41444	69.2188	55.4334	
+O	-2.42247	73.7018	54.5849	
+O	-2.67945	68.5162	53.4216	
+O	-4.71011	68.1447	51.2225	
+O	-4.2486	71.3571	52.717	
+O	-6.04027	72.0596	51.0201	
+O	-0.10156	71.3314	53.3211	
+O	-0.13038	67.9287	53.6331	
+O	-1.55436	69.9345	47.0367	
+O	-2.39934	67.4819	50.6503	
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+Si	28.097	59.0574	-6.60078	
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+Si	23.603	58.5632	81.4639	
+Si	28.0374	57.7706	71.9145	
+Si	24.3914	57.4581	71.9196	
+Si	24.7178	54.0477	-2.68268	
+Si	22.9943	55.261	77.2339	
+Si	25.5201	52.3013	75.3675	
+Si	25.395	52.5415	68.3412	
+Si	24.434	53.8582	70.8987	
+Si	25.5622	45.0545	86.458	
+Si	24.0262	49.1293	83.8113	
+Si	24.5304	45.6128	79.1515	
+Si	27.0852	46.8896	77.7315	
+Si	25.2096	47.3487	72.8618	
+Si	23.9937	46.5626	69.9912	
+Si	42.9437	55.315	61.431	
+Si	45.014	52.6863	58.3288	
+Si	44.5324	51.2534	53.9184	
+Si	41.5776	51.0783	53.0941	
+Si	42.3143	55.5526	52.6375	
+Si	40.6249	48.2906	57.2921	
+Si	43.8634	45.7439	56.4635	
+Si	44.7113	47.9378	51.3105	
+Si	42.1816	46.8694	45.5656	
+Si	40.4326	50.4476	48.67	
+Si	38.943	57.2313	63.7679	
+Si	35.254	56.8006	45.67	
+Si	36.5147	56.1039	49.656	
+Si	39.1412	52.8886	64.9807	
+Si	39.3358	50.7724	60.614	
+Si	33.9952	55.6109	55.5629	
+Si	34.4926	54.8462	61.0985	
+Si	39.4563	54.2918	57.7747	
+Si	34.5043	51.7323	48.8191	
+Si	39.6857	53.9439	47.2602	
+Si	39.4201	46.7097	64.771	
+Si	35.3432	49.5585	64.6304	
+Si	36.7211	45.6209	63.7361	
+Si	34.4834	50.4572	57.7095	
+Si	36.0191	45.9298	60.6581	
+Si	37.3865	47.4545	51.3359	
+Si	37.2516	45.7631	55.4998	
+Si	36.6232	47.5389	46.0165	
+Si	28.5603	65.0242	66.9072	
+Si	34.4201	61.6861	63.3776	
+Si	31.4209	63.0019	59.1431	
+Si	30.0591	63.2225	55.2733	
+Si	29.3159	59.5967	65.0065	
+Si	34.0751	56.106	65.4597	
+Si	32.4989	60.02	58.5964	
+Si	31.0067	58.7465	61.0326	
+Si	31.028	56.6644	47.2863	
+Si	31.7904	61.0892	45.2079	
+Si	29.6364	53.0324	63.8486	
+Si	32.2541	51.2563	66.6231	
+Si	33.9106	50.7619	60.6937	
+Si	29.6665	54.1328	58.4848	
+Si	29.2606	56.0574	60.8749	
+Si	29.4845	51.0334	61.4845	
+Si	33.9083	53.1486	51.505	
+Si	31.3819	55.0036	51.3271	
+Si	29.4944	51.7306	55.0921	
+Si	29.8734	52.1813	45.2409	
+Si	30.3891	46.8175	62.9615	
+Si	33.8133	45.6862	50.7171	
+Si	31.718	48.3857	53.2947	
+Si	30.9703	46.6576	47.4537	
+Si	22.6154	62.5562	65.8828	
+Si	23.6132	66.5063	61.2145	
+Si	26.2915	61.6871	57.754	
+Si	25.326	66.9246	57.4378	
+Si	24.7799	62.4039	53.6595	
+Si	27.5674	60.5564	50.7517	
+Si	25.1889	66.7999	54.2271	
+Si	23.3623	58.1036	64.2104	
+Si	24.9	60.6778	60.4926	
+Si	26.3918	56.5504	59.6901	
+Si	28.8517	56.4123	56.2751	
+Si	27.7306	58.1334	52.909	
+Si	22.9255	57.9903	54.9752	
+Si	22.6555	57.9318	49.4195	
+Si	27.7558	50.9452	65.2578	
+Si	23.1803	52.0688	60.1889	
+Si	23.7155	52.5949	55.3344	
+Si	25.4399	53.8988	51.3796	
+Si	23.7542	53.4991	46.3589	
+Si	26.8944	48.3111	63.8378	
+Si	22.6766	45.1426	65.922	
+Si	25.0283	50.3168	57.0724	
+Si	27.2119	46.1347	51.4885	
+Si	23.9374	47.1717	46.0188	
+Si	35.4751	52.2701	40.6161	
+Si	34.5028	51.2885	44.6083	
+Si	28.4076	66.2694	41.3241	
+Si	31.6786	62.7023	39.3428	
+Si	28.7509	62.0391	30.5663	
+Si	31.6334	56.6436	41.5106	
+Si	30.0265	59.4622	35.7066	
+Si	32.5051	55.8375	34.5503	
+Si	28.7385	59.2502	38.6519	
+Si	29.8031	58.4259	26.3709	
+Si	32.1849	52.4261	37.6401	
+Si	30.1271	51.0451	31.5403	
+Si	30.9244	52.9529	27.681	
+Si	29.2627	48.0095	40.073	
+Si	33.9403	48.1035	35.7594	
+Si	31.3107	45.4313	31.6171	
+Si	30.6163	47.0664	27.9322	
+Si	27.9911	61.9757	43.7207	
+Si	25.9724	64.2652	38.8231	
+Si	25.3611	65.6983	32.8707	
+Si	27.7799	62.6956	26.5431	
+Si	23.7603	62.798	26.8222	
+Si	26.8268	56.9983	43.4736	
+Si	23.824	59.3905	40.4332	
+Si	26.1477	60.9829	34.9717	
+Si	22.9375	61.5456	36.1114	
+Si	27.7199	56.462	37.8187	
+Si	23.5121	56.3306	33.8478	
+Si	23.6815	60.3509	30.3142	
+Si	24.0666	59.9891	23.3429	
+Si	23.4496	51.793	43.6794	
+Si	28.5484	52.8641	42.1493	
+Si	25.5239	51.3984	35.4213	
+Si	24.24	51.0332	24.0776	
+Si	27.8645	52.2698	26.9008	
+Si	26.9905	47.7714	43.7025	
+Si	28.469	46.7442	35.2372	
+Si	24.6471	49.6421	38.9441	
+Si	27.0471	62.1847	20.5611	
+Si	29.3028	60.2642	21.7688	
+Si	30.677	54.5427	22.5258	
+Si	30.5283	50.7833	22.7379	
+Si	33.2893	46.404	2.41913	
+Si	26.5836	57.4882	17.8152	
+Si	23.6528	59.1572	0.493147	
+Si	26.5654	55.2001	20.9365	
+Si	26.2607	51.1997	18.7281	
+Si	28.6488	53.9962	14.0025	
+Si	24.7958	56.4468	12.3956	
+Si	27.4912	52.1547	10.1691	
+Si	23.4017	55.099	2.69196	
+Si	26.4395	47.3269	18.884	
+Si	25.8119	48.8985	13.4964	
+Si	28.8651	45.2696	16.5258	
+Si	27.4456	47.3743	9.00369	
+Si	23.0769	46.3811	5.73933	
+Si	24.3129	49.9424	2.16185	
+Si	41.6452	44.6533	67.913	
+Si	39.9937	37.2236	67.1141	
+Si	39.7923	32.0029	68.1112	
+Si	34.474	42.1993	-2.27322	
+Si	34.2118	42.4169	72.6318	
+Si	37.1895	41.9496	68.6969	
+Si	36.3373	35.1216	72.4519	
+Si	35.8643	32.4538	76.785	
+Si	35.1647	30.2869	71.8993	
+Si	36.0588	28.7088	74.999	
+Si	36.4257	23.7067	77.8111	
+Si	32.4252	39.6622	80.6345	
+Si	31.0898	41.0473	69.2727	
+Si	28.5726	35.5286	-0.10498	
+Si	29.1551	35.445	83.1381	
+Si	33.6161	33.9425	80.3623	
+Si	32.4393	35.3683	77.6558	
+Si	29.5548	37.2686	74.2747	
+Si	29.3784	36.6267	68.0818	
+Si	33.3169	36.2689	72.166	
+Si	29.2126	30.9614	84.1424	
+Si	33.251	30.704	80.1365	
+Si	33.7184	31.463	74.6231	
+Si	30.0746	32.0988	71.3332	
+Si	34.1016	31.5033	69.129	
+Si	29.2231	24.0558	80.2966	
+Si	33.7896	26.6192	79.3838	
+Si	30.646	27.1213	75.7114	
+Si	29.4853	24.3353	74.6726	
+Si	28.7366	28.5365	68.7584	
+Si	29.061	25.5262	67.783	
+Si	28.5775	40.4989	85.2327	
+Si	28.2745	41.2336	78.7508	
+Si	24.1502	41.6189	83.1765	
+Si	23.4865	43.443	74.4392	
+Si	26.7682	41.321	70.334	
+Si	24.4188	35.0027	-1.58557	
+Si	26.0234	39.2655	83.7786	
+Si	27.1878	36.9243	78.9723	
+Si	24.9038	33.678	76.7673	
+Si	23.936	38.0024	74.3191	
+Si	26.7017	36.0831	71.831	
+Si	24.6001	35.0538	69.7109	
+Si	26.3051	36.5449	67.7332	
+Si	23.0839	30.9876	80.4362	
+Si	27.3039	30.8041	71.9489	
+Si	26.4917	24.2407	84.4575	
+Si	27.4195	28.4919	84.8184	
+Si	26.1476	24.6378	80.6138	
+Si	25.8719	26.8808	82.6655	
+Si	25.4724	27.779	76.4197	
+Si	26.6517	26.1753	71.6949	
+Si	25.7791	28.8252	70.0944	
+Si	23.6333	24.0095	68.6744	
+Si	41.9883	40.9609	63.2161	
+Si	38.7802	44.089	66.7763	
+Si	44.3894	41.6492	52.2885	
+Si	42.4796	44.8715	53.5907	
+Si	40.1548	35.7601	62.8267	
+Si	43.724	37.4035	58.9244	
+Si	38.8145	37.8705	60.4164	
+Si	42.5681	38.5453	51.5032	
+Si	44.3636	35.3158	53.3352	
+Si	40.2862	39.3469	55.0668	
+Si	36.0999	39.9085	64.6915	
+Si	36.8914	42.9376	60.1279	
+Si	34.3656	42.3635	46.4905	
+Si	35.8342	39.3702	47.5584	
+Si	35.7443	34.4043	66.5186	
+Si	36.2892	36.1918	61.5815	
+Si	36.1933	34.1686	57.7501	
+Si	39.4983	34.3831	55.8101	
+Si	36.5934	39.3192	55.1281	
+Si	34.8523	35.4381	51.9131	
+Si	36.6775	34.5925	49.5428	
+Si	37.7161	37.6448	49.4596	
+Si	33.8543	36.8969	66.9282	
+Si	33.1414	40.0352	63.6319	
+Si	31.3694	43.9167	63.0059	
+Si	28.2588	42.6542	59.7235	
+Si	32.6507	40.7523	51.4084	
+Si	27.8945	43.8318	49.3831	
+Si	30.6786	35.3552	62.2284	
+Si	29.5359	33.6892	66.6917	
+Si	30.3825	38.5172	57.0322	
+Si	29.0313	39.6829	59.7558	
+Si	28.9672	38.682	49.499	
+Si	28.8117	30.1373	60.3944	
+Si	26.6248	42.7837	65.5071	
+Si	24.4439	40.2084	57.3879	
+Si	24.3533	43.5081	61.0776	
+Si	23.2919	43.6849	54.7814	
+Si	23.5608	43.3918	50.0092	
+Si	25.6068	39.7777	46.0089	
+Si	27.518	39.2276	64.1525	
+Si	22.493	34.4106	65.7388	
+Si	27.705	37.8955	55.4573	
+Si	23.7262	37.7833	61.3725	
+Si	24.0254	38.8824	51.3869	
+Si	24.9202	35.9599	50.6628	
+Si	22.655	35.8674	45.2632	
+Si	25.1513	29.4883	67.0967	
+Si	23.4927	29.0626	63.0046	
+Si	26.1939	33.3155	63.349	
+Si	27.7312	27.4803	61.785	
+Si	25.0373	31.162	46.3948	
+Si	24.0735	26.7739	65.2291	
+Si	38.9342	42.2062	44.1021	
+Si	33.4484	44.2804	44.1256	
+Si	31.0652	39.9493	40.8465	
+Si	27.8769	43.3788	44.2992	
+Si	32.7414	42.85	36.3283	
+Si	30.1242	35.6412	34.7351	
+Si	32.2551	39.1707	34.8097	
+Si	27.9626	41.4217	34.5618	
+Si	27.0885	41.8667	37.8927	
+Si	25.5106	43.7695	31.3972	
+Si	27.519	38.1359	29.7301	
+Si	27.0758	42.1713	27.7249	
+Si	24.9902	44.2931	24.4955	
+Si	23.5155	39.1607	24.4051	
+Si	32.4028	42.9391	7.37458	
+Si	29.6912	39.7264	11.1575	
+Si	28.5717	43.9251	6.88279	
+Si	31.5413	36.2073	0.492878	
+Si	30.6988	38.6543	5.92594	
+Si	29.9694	33.245	3.16617	
+Si	29.1027	28.635	89.8698	
+Si	24.7622	41.9647	21.1821	
+Si	25.9039	45.2415	12.2279	
+Si	25.5099	39.9675	7.47102	
+Si	28.1693	40.567	2.24816	
+Si	23.3976	43.5507	0.190799	
+Si	23.6386	42.603	4.82071	
+Si	23.0593	38.8519	0.309251	
+Si	25.488	36.8004	4.20425	
+Si	24.0556	33.1804	7.2501	
+Si	23.6953	28.293	89.1568	
+Si	24.8436	25.6062	88.5232	
+Si	33.4728	22.5232	83.0779	
+Si	33.9238	22.6016	76.1393	
+Si	34.7866	23.4868	71.3634	
+Si	27.1053	22.8827	87.3081	
+Si	32.2083	20.8381	78.1795	
+Si	32.2637	19.2803	70.6231	
+Si	30.541	10.573	67.7101	
+Si	30.1706	5.05032	69.1633	
+Si	25.661	19.1682	81.3786	
+Si	24.6609	21.8527	80.1153	
+Si	26.2514	22.0767	77.3455	
+Si	28.2686	17.6306	76.3381	
+Si	28.7492	21.1513	72.3073	
+Si	26.7737	19.4223	70.8057	
+Si	28.3582	14.7585	81.5739	
+Si	24.5128	15.7835	78.1366	
+Si	27.0537	16.5047	69.5894	
+Si	25.2144	11.2895	78.7528	
+Si	28.4659	6.18157	78.6633	
+Si	27.4319	12.2378	74.7181	
+Si	25.1249	7.44653	72.0611	
+Si	26.5294	11.8482	69.0623	
+Si	26.8083	8.67808	69.8234	
+Si	26.3532	6.84298	74.8335	
+Si	25.415	3.26349	82.4781	
+Si	23.8016	1.49747	78.3612	
+Si	28.3175	2.25132	74.5075	
+Si	27.7207	1.78644	70.3426	
+Si	23.9883	4.3183	67.8167	
+Si	30.3067	1.49888	65.5038	
+Si	25.4092	15.7569	66.961	
+Si	26.2627	11.36	63.3398	
+Si	27.507	6.76922	64.317	
+Si	23.461	9.4142	66.5301	
+Si	20.9459	84.0594	81.44	
+Si	19.4712	86.8649	81.256	
+Si	18.2044	84.577	73.0717	
+Si	19.1921	-0.6352	68.3401	
+Si	20.1925	84.4895	67.278	
+Si	20.7875	78.5863	78.9785	
+Si	18.9471	81.9324	74.629	
+Si	22.3425	82.4263	71.794	
+Si	18.9973	74.4585	80.5502	
+Si	19.0008	74.1815	68.1297	
+Si	19.4286	76.8214	70.8386	
+Si	18.075	68.6262	84.4336	
+Si	20.5807	67.7076	80.6203	
+Si	20.4145	72.4938	75.889	
+Si	20.2668	69.3858	71.9969	
+Si	19.1934	71.1386	67.315	
+Si	13.8048	86.129	77.2558	
+Si	13.9366	-0.79679	68.7963	
+Si	16.7291	80.2202	80.3776	
+Si	12.7348	79.2898	80.4222	
+Si	13.356	83.3054	75.9981	
+Si	15.5137	82.8101	69.0764	
+Si	16.7573	80.2149	70.3265	
+Si	14.7099	79.5096	72.4211	
+Si	14.9026	74.4094	83.9888	
+Si	14.4339	74.9339	78.6795	
+Si	13.5875	78.0177	74.6489	
+Si	17.1276	73.3689	73.3839	
+Si	16.5768	70.3203	78.1168	
+Si	14.9521	70.2439	82.2192	
+Si	12.3751	69.9522	76.6797	
+Si	12.0792	84.4614	72.7375	
+Si	6.61137	-2.46105	70.7714	
+Si	10.2596	83.5158	81.6413	
+Si	7.42668	80.9291	68.4087	
+Si	8.44211	75.4198	78.4485	
+Si	9.09673	76.0383	72.7608	
+Si	11.89	72.6287	75.0821	
+Si	7.85747	76.1311	67.9689	
+Si	11.2086	68.5185	-1.37659	
+Si	10.0689	71.0859	83.5169	
+Si	9.30457	67.2424	73.3645	
+Si	6.28281	72.477	73.5404	
+Si	7.65322	71.0826	77.7745	
+Si	7.97355	71.5067	69.3463	
+Si	2.70461	77.729	72.7596	
+Si	2.07161	73.6822	68.3347	
+Si	5.3511	76.8884	69.7058	
+Si	1.94394	71.7416	73.5958	
+Si	6.82286	68.5573	75.8859	
+Si	2.87909	68.4852	70.4555	
+Si	0.540295	68.1037	66.5381	
+Si	18.3533	-2.00135	64.4002	
+Si	22.3781	85.8922	63.2033	
+Si	20.2177	80.5072	66.3221	
+Si	18.3148	80.2359	63.7957	
+Si	23.0562	80.7328	63.1311	
+Si	18.4945	83.4373	58.6525	
+Si	20.8269	77.9105	59.6333	
+Si	18.4932	79.733	54.4404	
+Si	21.7307	75.2814	64.8304	
+Si	20.0512	74.353	56.5969	
+Si	23.1645	72.4816	52.1108	
+Si	18.9003	74.4458	46.5499	
+Si	18.2931	67.5635	62.5419	
+Si	21.2234	68.7575	55.9514	
+Si	19.077	71.0254	51.5247	
+Si	19.2225	67.6494	47.9249	
+Si	23.029	68.7397	44.9294	
+Si	21.9217	71.4545	46.2606	
+Si	14.3589	83.7956	63.4471	
+Si	14.8473	78.1128	66.0119	
+Si	13.4917	79.2861	55.7506	
+Si	16.6554	74.1087	63.39	
+Si	13.1114	73.9348	57.4532	
+Si	12.7639	75.6493	61.1921	
+Si	17.8972	76.4191	57.9441	
+Si	16.2853	74.5325	53.1813	
+Si	13.2666	73.7831	46.3199	
+Si	15.8985	76.0009	48.7877	
+Si	15.5051	72.8328	48.2755	
+Si	13.9921	70.3805	64.0616	
+Si	14.6876	67.7478	56.6006	
+Si	16.0004	69.0498	53.8655	
+Si	12.8728	69.9744	53.2204	
+Si	13.771	67.3399	50.1889	
+Si	7.18618	82.9648	62.7013	
+Si	8.23134	78.8922	59.3095	
+Si	7.99493	80.2135	54.2425	
+Si	6.37316	78.6374	50.3308	
+Si	6.79924	76.3726	65.1115	
+Si	7.36643	74.502	59.4858	
+Si	11.4949	71.5042	58.8439	
+Si	10.0725	75.7722	55.2115	
+Si	10.2902	73.0237	51.3818	
+Si	11.2366	75.8312	52.0301	
+Si	9.14441	76.4171	46.7847	
+Si	8.58065	70.9204	63.2998	
+Si	8.68187	68.1343	62.0187	
+Si	8.74511	71.3842	53.5964	
+Si	6.32921	70.5111	48.9732	
+Si	5.08356	85.5725	65.5554	
+Si	0.50509	82.3536	65.2045	
+Si	2.81396	80.7151	66.8105	
+Si	3.9152	80.3139	62.5473	
+Si	3.44241	78.5723	58.1681	
+Si	3.66106	74.4733	62.129	
+Si	1.26642	75.4234	63.8031	
+Si	6.30157	72.079	57.8137	
+Si	5.57524	75.7197	51.0403	
+Si	2.13898	73.4359	51.0817	
+Si	6.02111	73.4532	45.3375	
+Si	1.41144	67.0264	57.1552	
+Si	3.92319	68.356	60.8847	
+Si	1.95185	68.1074	48.7467	
+Si	18.5027	70.5039	42.2495	
+Si	17.5704	67.7951	33.2973	
+Si	14.1525	71.7632	42.757	
+Si	14.3124	69.7717	31.0074	
+Si	14.9731	68.1369	26.4078	
+Si	11.1214	72.4388	42.5687	
+Si	9.36481	78.3342	42.4842	
+Si	12.4176	77.1425	39.7666	
+Si	9.68943	67.7524	41.095	
+Si	5.64642	70.5629	44.3007	
+Si	9.92014	72.1917	39.5454	
+Si	9.95471	69.8858	32.1568	
+Si	9.22469	67.947	27.3339	
+Si	1.83497	72.5521	45.4262	
+Si	4.24513	67.5974	41.5627	
+Si	6.35918	67.3756	32.4644	
+Si	10.788	70.6413	23.1918	
+Si	9.21634	66.7135	21.3312	
+Si	5.11119	67.5628	22.993	
+Si	6.14037	67.3731	16.892	
+Si	22.3665	64.8273	-3.73474	
+Si	20.4641	65.4	74.7069	
+Si	18.9834	62.1813	70.1434	
+Si	20.7078	60.9385	-4.01804	
+Si	20.2766	58.1718	-2.47961	
+Si	18.3345	60.3441	78.631	
+Si	21.9595	60.6135	76.0425	
+Si	18.2	58.4212	76.0989	
+Si	20.5975	60.415	73.2217	
+Si	20.9692	56.7011	68.2976	
+Si	19.3212	55.9835	83.4629	
+Si	21.6999	53.4171	-1.73747	
+Si	22.4196	49.7301	78.0191	
+Si	17.3559	52.0592	78.9408	
+Si	18.476	52.8571	68.8452	
+Si	21.3433	50.6712	67.0513	
+Si	21.2797	47.1773	-1.20385	
+Si	15.0045	65.3269	-4.02673	
+Si	14.8551	63.1338	-0.51693	
+Si	12.9883	61.8544	80.0716	
+Si	17.8511	64.7762	80.0089	
+Si	15.4377	61.9802	74.832	
+Si	16.4247	65.7076	70.6038	
+Si	13.874	58.5722	86.0103	
+Si	13.4313	57.0278	78.7532	
+Si	16.9039	59.882	83.0941	
+Si	11.5021	60.4396	82.5897	
+Si	12.335	58.3528	76.1071	
+Si	13.2331	60.9845	69.4419	
+Si	17.1885	59.4123	67.1585	
+Si	12.5911	54.6611	85.9906	
+Si	15.4314	50.9092	84.033	
+Si	13.6213	54.7905	82.8733	
+Si	17.2901	49.6593	75.1185	
+Si	12.011	52.7325	73.5483	
+Si	13.7825	51.6558	67.139	
+Si	14.6599	51.9842	72.1909	
+Si	14.9327	47.3219	-1.44041	
+Si	14.3015	47.7079	80.7553	
+Si	17.7819	47.2592	77.2351	
+Si	12.4909	47.7022	73.2739	
+Si	16.7123	47.5348	68.9533	
+Si	8.49178	62.5754	-0.82286	
+Si	10.1769	65.3129	-3.62413	
+Si	10.2575	67.0373	80.6938	
+Si	8.52227	64.2793	78.4416	
+Si	6.36418	66.5918	72.6517	
+Si	11.9356	64.8673	71.5669	
+Si	7.54502	66.6149	67.306	
+Si	8.01723	58.6008	-1.9521	
+Si	8.15168	58.1108	79.1194	
+Si	10.7279	58.9684	72.5936	
+Si	12.1432	52.2014	77.3854	
+Si	10.7813	55.554	68.9436	
+Si	10.5599	49.1259	-1.00386	
+Si	10.5752	45.8382	78.9075	
+Si	7.16564	49.6013	76.4729	
+Si	10.3665	45.7266	74.4237	
+Si	7.76678	49.9466	70.7675	
+Si	12.0508	46.3651	67.1146	
+Si	10.0879	50.3803	68.6612	
+Si	4.43296	61.53	79.9037	
+Si	3.70496	63.6991	75.5413	
+Si	5.4966	59.4353	74.6245	
+Si	0.387679	59.9557	71.876	
+Si	5.79647	58.1656	69.7691	
+Si	3.37371	54.3899	84.4521	
+Si	2.77731	54.8453	72.056	
+Si	5.28289	51.742	67.9863	
+Si	3.83195	51.0592	73.4384	
+Si	4.24238	45.8862	-2.595	
+Si	21.2801	63.2009	57.4438	
+Si	18.1984	66.094	58.2841	
+Si	19.1868	64.26	52.7342	
+Si	17.8629	61.4984	53.6766	
+Si	18.1046	66.0553	45.3928	
+Si	22.5921	63.5191	48.0912	
+Si	20.7812	59.8237	51.0831	
+Si	23.0672	60.0207	44.8412	
+Si	18.4355	59.1149	47.7036	
+Si	22.4451	52.0236	63.1938	
+Si	22.0414	54.8255	59.7892	
+Si	18.0061	52.0586	56.1443	
+Si	19.9165	53.4759	51.6428	
+Si	20.6031	52.9479	54.6553	
+Si	21.8699	47.6764	61.7448	
+Si	20.7711	46.0435	57.8855	
+Si	22.3288	48.7212	51.0591	
+Si	19.1555	44.9814	49.2104	
+Si	18.6389	46.9022	45.246	
+Si	15.7676	62.3082	64.2888	
+Si	14.0611	66.1826	66.1394	
+Si	16.01	61.7631	56.2791	
+Si	14.5484	61.9638	60.8201	
+Si	16.9658	63.5517	46.967	
+Si	10.5199	66.9773	45.013	
+Si	17.4863	57.0923	61.6591	
+Si	12.5345	57.9259	64.9896	
+Si	17.1737	57.09	56.8173	
+Si	12.4673	59.2835	60.4303	
+Si	16.4423	56.1815	48.9044	
+Si	13.1915	56.1863	49.059	
+Si	13.3563	53.8813	63.7118	
+Si	17.7377	51.5804	62.84	
+Si	14.0015	50.0673	58.1759	
+Si	13.1944	49.1249	53.5465	
+Si	10.5288	64.2708	65.0366	
+Si	10.3412	61.6133	60.8036	
+Si	5.33817	67.2302	55.4785	
+Si	8.39443	66.8556	50.1293	
+Si	9.99864	64.3552	53.8084	
+Si	6.88498	60.7283	48.8508	
+Si	11.9096	56.2074	55.1954	
+Si	8.88213	57.3551	48.5713	
+Si	8.6675	51.9034	56.3953	
+Si	7.28697	51.7486	46.3893	
+Si	11.56	50.7376	47.7916	
+Si	11.4088	46.6364	48.7155	
+Si	1.61006	62.2649	66.4731	
+Si	3.74727	65.6872	64.7897	
+Si	4.4974	62.926	59.0386	
+Si	3.5399	66.4448	51.047	
+Si	6.09902	62.0333	52.7951	
+Si	1.00889	62.74	55.0482	
+Si	1.19467	66.314	46.2315	
+Si	3.1028	58.0217	66.5897	
+Si	0.521316	58.2078	64.7308	
+Si	0.15172	61.3212	63.8015	
+Si	5.53148	55.6116	58.6108	
+Si	2.63541	55.4192	55.4542	
+Si	5.69322	52.5063	51.927	
+Si	5.7861	56.4987	48.1528	
+Si	2.23448	60.9869	46.8492	
+Si	18.4615	62.1769	40.0624	
+Si	20.5845	64.6306	32.1784	
+Si	19.0073	64.4161	29.3566	
+Si	18.4643	59.5996	41.9021	
+Si	18.1135	57.6214	35.2861	
+Si	18.3974	60.3242	36.7119	
+Si	19.063	60.6851	31.7147	
+Si	21.4728	57.5483	28.4074	
+Si	17.8141	50.8468	44.2462	
+Si	23.1599	54.529	40.0574	
+Si	18.3747	55.4273	30.9329	
+Si	22.7088	54.4759	23.0461	
+Si	22.8604	51.9377	26.73	
+Si	19.2918	56.2101	26.4013	
+Si	22.0872	46.4999	41.2577	
+Si	21.7288	47.3117	35.633	
+Si	18.1095	48.268	25.222	
+Si	22.8663	45.8994	22.5822	
+Si	21.3521	46.6186	27.866	
+Si	12.7266	62.9203	40.4238	
+Si	14.4443	63.1493	43.122	
+Si	14.8588	67.0423	40.6629	
+Si	13.3819	62.3841	35.8629	
+Si	12.1434	66.6675	35.9419	
+Si	14.1774	66.609	30.877	
+Si	16.173	61.7726	32.4715	
+Si	16.7323	63.1722	26.0961	
+Si	14.6911	56.6069	44.1329	
+Si	12.0291	59.8021	44.3544	
+Si	14.555	57.6958	39.2565	
+Si	13.2605	57.576	33.1593	
+Si	12.5161	57.3535	28.0118	
+Si	15.2377	59.7264	23.9649	
+Si	14.5228	53.4887	34.9417	
+Si	14.5229	53.5709	29.5986	
+Si	12.3154	52.7746	33.0738	
+Si	11.5708	54.8496	24.3576	
+Si	13.3571	47.8551	41.2664	
+Si	13.0729	45.6132	44.4998	
+Si	17.6212	47.1026	39.5599	
+Si	16.5481	49.4557	34.6651	
+Si	17.2761	45.1073	36.0633	
+Si	12.6835	47.3487	35.5334	
+Si	17.3586	45.6374	26.4591	
+Si	13.7711	49.8728	26.3172	
+Si	8.81026	64.8061	41.775	
+Si	9.39089	64.1544	32.158	
+Si	11.9549	62.1698	29.7688	
+Si	11.168	63.6101	25.5365	
+Si	12.018	55.9001	39.1824	
+Si	7.10559	61.1146	43.4254	
+Si	9.55866	59.6547	35.1086	
+Si	8.05452	59.1912	28.5646	
+Si	10.3324	54.8167	43.6643	
+Si	7.71764	55.7642	34.801	
+Si	7.27028	51.7623	37.8821	
+Si	9.05166	52.1958	28.1633	
+Si	7.27331	51.1711	25.2992	
+Si	7.27042	46.12	36.8275	
+Si	8.74403	46.1776	27.9346	
+Si	0.422151	60.4179	44.2686	
+Si	0.0570151	63.9543	33.2057	
+Si	2.31495	62.4883	34.7992	
+Si	6.96446	65.0094	34.2898	
+Si	4.29231	66.128	35.9064	
+Si	1.61063	66.4803	30.38	
+Si	3.12223	63.967	29.2794	
+Si	5.80402	64.4737	27.6805	
+Si	5.34552	62.3531	34.0304	
+Si	3.39431	57.0114	43.7429	
+Si	6.60276	56.6848	43.7806	
+Si	3.73123	57.4575	35.8341	
+Si	0.0710214	58.438	24.4841	
+Si	4.35717	61.1234	24.8087	
+Si	5.45059	56.6256	24.178	
+Si	2.47236	53.0667	42.3445	
+Si	3.07143	51.3032	35.3187	
+Si	1.6247	51.35	24.6837	
+Si	4.79326	49.5789	29.1736	
+Si	-0.05292	45.4149	33.7212	
+Si	19.6686	63.6892	22.7135	
+Si	19.1466	65.3521	18.4968	
+Si	18.3726	66.7559	13.1609	
+Si	20.0416	61.9402	16.0265	
+Si	19.0111	62.8654	0.0462256	
+Si	18.3335	58.8783	18.8007	
+Si	21.7856	59.3	21.3895	
+Si	22.4347	58.6081	12.302	
+Si	22.6304	56.5235	16.7035	
+Si	17.8717	61.0739	5.07647	
+Si	21.6443	51.1897	22.1296	
+Si	21.0419	54.9657	10.898	
+Si	22.5645	51.1605	10.7718	
+Si	19.7583	52.3005	9.79421	
+Si	17.1454	52.5837	0.390503	
+Si	21.1719	47.6315	18.359	
+Si	22.4381	49.1693	7.07689	
+Si	20.2154	45.9838	11.3297	
+Si	17.6857	45.5563	9.05547	
+Si	19.5752	47.2963	1.40997	
+Si	14.898	65.2636	21.3438	
+Si	16.6491	63.6022	19.2777	
+Si	13.7724	66.5255	15.6341	
+Si	15.6518	63.8464	10.3989	
+Si	13.8342	66.1083	9.66438	
+Si	11.358	66.7382	1.39861	
+Si	13.5389	57.199	19.7965	
+Si	17.3895	56.7626	15.2515	
+Si	12.9527	60.8535	16.1261	
+Si	16.9261	57.3706	11.0949	
+Si	13.6466	61.4709	11.4992	
+Si	14.9129	58.6983	3.17607	
+Si	13.8189	52.5146	19.1858	
+Si	17.5664	52.19	15.8726	
+Si	14.8205	53.4728	15.2498	
+Si	12.8776	51.3782	2.77401	
+Si	16.8437	55.6191	5.72027	
+Si	13.3233	45.4189	23.2388	
+Si	12.1211	47.9124	18.4985	
+Si	14.0192	47.9288	15.8732	
+Si	14.218	47.9395	11.9065	
+Si	8.90439	66.3373	18.2943	
+Si	6.55213	62.986	22.111	
+Si	8.59533	62.4797	14.1193	
+Si	9.55616	65.3557	13.3262	
+Si	7.10427	64.2262	10.2254	
+Si	10.208	62.5922	7.31325	
+Si	9.25806	65.4404	6.10252	
+Si	10.4079	57.3618	19.311	
+Si	11.7172	56.1638	13.2595	
+Si	7.70229	57.7166	7.3984	
+Si	11.3077	61.1864	2.57749	
+Si	11.5715	55.1981	5.58999	
+Si	6.72521	58.193	3.38038	
+Si	6.72887	53.5814	21.5755	
+Si	9.14374	52.4643	16.6955	
+Si	8.65371	47.9963	21.4477	
+Si	11.0748	49.3569	22.9956	
+Si	7.16545	48.21	18.8051	
+Si	12.0263	46.8921	7.25995	
+Si	8.60763	46.0789	10.3178	
+Si	8.38741	50.4421	6.06574	
+Si	9.18957	45.3686	7.37661	
+Si	9.79801	47.0444	3.18168	
+Si	0.818634	62.4665	19.977	
+Si	4.94341	63.2555	18.497	
+Si	2.57964	61.3511	14.2841	
+Si	3.34676	64.6937	7.22996	
+Si	6.21909	61.368	3.79539	
+Si	3.41981	57.9235	19.4309	
+Si	5.9735	60.4405	19.0802	
+Si	5.85489	60.161	6.56682	
+Si	3.27424	57.4883	10.5451	
+Si	2.96537	52.614	18.9541	
+Si	0.577125	52.0948	16.9534	
+Si	3.63469	55.9114	15.1399	
+Si	0.25484	51.5233	11.0345	
+Si	4.18269	52.2626	0.982898	
+Si	0.465419	45.0416	22.1992	
+Si	3.35378	48.2033	21.8344	
+Si	5.20706	46.122	20.2561	
+Si	3.60096	48.6003	16.3284	
+Si	5.292	49.7052	11.5482	
+Si	6.19935	45.9419	7.16004	
+Si	1.94514	48.0209	0.564365	
+Si	3.84148	50.1173	5.14435	
+Si	3.00108	45.0234	11.6415	
+Si	21.1267	44.8155	81.9763	
+Si	22.9133	40.556	77.7093	
+Si	19.7724	45.5577	75.5238	
+Si	18.9166	40.5598	72.5701	
+Si	19.9765	38.5429	84.4741	
+Si	22.732	36.2105	81.5301	
+Si	21.0149	37.0728	79.0508	
+Si	19.3566	34.2995	78.6927	
+Si	19.4708	36.1162	72.7538	
+Si	19.4534	38.0156	67.4561	
+Si	17.6871	35.3845	67.8158	
+Si	17.5407	34.0754	83.5034	
+Si	21.7624	31.1288	84.2758	
+Si	19.286	29.9789	82.4842	
+Si	22.4216	32.0145	74.4696	
+Si	20.1585	33.4135	67.8192	
+Si	22.6323	29.3627	70.7132	
+Si	20.8147	23.588	84.5299	
+Si	20.9037	26.5277	-2.58342	
+Si	23.033	23.2375	74.2481	
+Si	20.7867	25.4962	73.0224	
+Si	16.6486	41.2738	83.4359	
+Si	12.723	40.9774	79.7051	
+Si	15.2982	43.5935	76.4741	
+Si	15.6731	44.7865	71.8909	
+Si	12.1938	40.8856	74.1886	
+Si	15.4792	36.017	85.9388	
+Si	13.8101	34.6742	83.7024	
+Si	15.2039	36.5432	76.9779	
+Si	16.7982	33.1664	74.0808	
+Si	12.584	34.7865	71.7235	
+Si	14.2046	32.4288	81.5468	
+Si	17.9296	30.103	71.436	
+Si	14.1065	27.0784	83.9231	
+Si	16.3265	25.7299	82.4309	
+Si	13.8819	23.2548	78.6973	
+Si	16.405	26.7184	77.0871	
+Si	16.4593	25.7985	71.1603	
+Si	5.94257	44.3452	-4.7996	
+Si	11.1163	39.9732	-3.18423	
+Si	9.77138	44.6695	84.5913	
+Si	7.08304	40.1982	79.9774	
+Si	6.12279	38.4627	-3.09906	
+Si	7.20995	34.0204	79.3912	
+Si	9.61953	30.3168	81.6382	
+Si	10.3655	27.3411	77.9619	
+Si	9.86212	24.4489	76.5123	
+Si	22.1756	43.3617	63.4425	
+Si	19.6516	43.3763	66.1222	
+Si	18.8948	39.6919	62.4163	
+Si	16.5863	43.495	55.9284	
+Si	21.1097	36.9412	56.1598	
+Si	20.2364	36.1197	50.7545	
+Si	16.6315	41.4612	45.9108	
+Si	17.0123	44.0687	40.0247	
+Si	19.7272	41.9395	40.2317	
+Si	22.4043	42.7723	44.5735	
+Si	22.3588	39.4154	35.6806	
+Si	22.5524	43.2905	36.3332	
+Si	20.9692	43.5329	27.2412	
+Si	18.623	39.086	32.0311	
+Si	17.6829	35.2529	29.5819	
+Si	21.6903	31.2966	27.1575	
+Si	13.9414	41.0492	41.1742	
+Si	13.1097	40.8905	34.7202	
+Si	16.6215	40.7627	33.9741	
+Si	11.4618	43.7262	37.3813	
+Si	14.4121	42.6759	32.448	
+Si	12.399	44.9185	28.6764	
+Si	15.3637	41.5771	25.1442	
+Si	16.3711	39.3024	36.6549	
+Si	13.6325	39.1815	32.0887	
+Si	15.4221	36.8492	27.9309	
+Si	10.1886	43.1793	42.998	
+Si	10.6442	42.7995	34.552	
+Si	8.2932	41.5759	30.9777	
+Si	11.456	39.8806	24.2869	
+Si	8.22876	44.4088	25.4044	
+Si	6.33817	38.6937	36.8089	
+Si	11.4982	38.2651	35.6161	
+Si	8.53117	31.2524	27.699	
+Si	3.32157	41.7784	27.2208	
+Si	5.1474	43.2611	24.9613	
+Si	1.84297	37.4014	24.7176	
+Si	6.8358	35.3274	26.5474	
+Si	17.7611	44.4438	16.9635	
+Si	20.3229	44.1251	21.8353	
+Si	19.0127	40.2454	22.4621	
+Si	17.1144	44.3783	11.8378	
+Si	19.5277	39.4403	13.3614	
+Si	19.4842	43.1537	8.45853	
+Si	22.853	38.8295	8.74597	
+Si	18.1611	37.3901	1.35668	
+Si	20.4012	39.0031	6.27775	
+Si	18.8594	33.7574	6.53637	
+Si	21.0885	28.4392	2.91503	
+Si	20.7511	34.2367	2.67051	
+Si	18.5492	31.0292	0.658117	
+Si	16.7468	38.9937	18.1966	
+Si	14.1172	39.5893	12.7653	
+Si	14.5273	43.9678	16.8741	
+Si	13.0753	43.0476	8.03025	
+Si	15.6367	39.6869	8.99416	
+Si	15.0008	43.379	5.47454	
+Si	13.6553	34.952	17.7106	
+Si	13.5989	38.3393	22.4549	
+Si	11.9086	35.5818	12.7319	
+Si	13.6634	39.8805	0.757977	
+Si	16.2911	33.4411	21.3622	
+Si	14.2496	32.6846	1.5153	
+Si	10.6148	42.4728	20.4197	
+Si	10.9899	39.1211	17.7707	
+Si	11.0859	43.1883	13.9138	
+Si	10.0207	43.9524	2.43717	
+Si	8.15579	38.9061	16.6585	
+Si	8.2316	35.6993	16.9128	
+Si	6.90492	38.988	2.2194	
+Si	2.02735	44.4199	16.0981	
+Si	5.75672	39.0456	13.0771	
+Si	6.34575	40.4493	7.46925	
+Si	5.01292	42.8056	12.28	
+Si	5.03759	35.4644	5.78429	
+Si	3.12052	30.5851	3.81492	
+Si	3.11771	37.3148	7.60038	
+Si	3.75748	34.9308	13.852	
+Si	1.90552	39.1555	1.90451	
+Si	5.12588	41.2591	3.58457	
+Si	4.43366	42.4911	0.806008	
+Si	5.28465	39.4584	17.9096	
+Si	1.77023	41.248	21.0996	
+Si	5.54685	41.1617	22.51	
+Si	8.26028	31.6636	16.6885	
+Si	10.2622	32.9583	21.7851	
+Si	4.89918	33.7952	22.0061	
+Si	10.7568	35.3202	5.22684	
+Si	10.3396	36.6403	1.07881	
+Si	8.14572	35.9027	10.758	
+Si	10.157	38.4684	7.89708	
+Si	8.02063	37.0017	21.3045	
+Si	10.8283	40.0814	5.25831	
+Si	10.0166	41.7153	11.5036	
+Si	7.25994	43.1618	17.4572	
+Si	15.7646	37.6174	4.52043	
+Si	14.913	34.5659	7.93325	
+Si	15.1285	35.365	13.1762	
+Si	16.0236	43.6625	20.3695	
+Si	18.5317	42.9151	2.63766	
+Si	23.22	43.793	15.9009	
+Si	21.2413	39.7946	17.6282	
+Si	6.4072	38.0179	32.1398	
+Si	2.60767	37.9316	29.4191	
+Si	5.03432	40.7234	33.0669	
+Si	5.8391	43.3382	31.7226	
+Si	0.87654	43.3423	31.6936	
+Si	10.4566	36.7716	26.2977	
+Si	9.23633	35.373	31.5334	
+Si	7.81473	40.4094	26.8706	
+Si	10.9739	39.8937	27.4402	
+Si	13.4112	32.9833	24.4696	
+Si	13.659	33.6146	30.1361	
+Si	15.5161	34.4513	34.5994	
+Si	16.2878	39.8958	27.3207	
+Si	20.4827	33.0335	31.6098	
+Si	18.7208	35.9375	25.2587	
+Si	20.5365	35.4517	36.28	
+Si	22.5916	36.5361	34.2258	
+Si	18.5286	37.5893	41.623	
+Si	21.2261	43.8421	32.3202	
+Si	22.2037	39.2172	28.9142	
+Si	21.983	39.9012	40.9804	
+Si	20.052	39.7851	47.131	
+Si	19.4348	41.3548	53.0114	
+Si	19.4584	41.5294	58.7786	
+Si	15.1142	42.6309	63.5804	
+Si	18.7214	29.5372	63.0896	
+Si	21.681	24.0841	62.6374	
+Si	19.2851	27.2819	67.0906	
+Si	17.0963	23.6038	62.3066	
+Si	23.1195	19.2355	85.1554	
+Si	17.726	20.8058	85.7951	
+Si	19.327	20.8502	80.5375	
+Si	22.835	18.4494	78.4901	
+Si	20.1562	22.1083	77.807	
+Si	22.7846	20.2506	73.4344	
+Si	22.6446	17.7814	69.6065	
+Si	17.5062	23.322	66.5263	
+Si	18.7314	21.1902	70.6831	
+Si	19.7612	16.9214	83.0975	
+Si	17.6705	16.1106	72.7754	
+Si	18.9464	14.4314	68.4901	
+Si	21.5447	11.2194	85.5078	
+Si	23.361	8.07881	81.072	
+Si	19.3946	10.5044	79.767	
+Si	17.542	6.98984	79.4412	
+Si	21.9152	8.28336	75.1111	
+Si	21.2763	10.3482	71.343	
+Si	18.574	2.23766	77.2784	
+Si	17.912	5.97155	73.4754	
+Si	17.6656	5.39446	76.8344	
+Si	18.3025	6.28526	67.3432	
+Si	18.8445	2.37582	67.5923	
+Si	14.3995	21.1403	82.7858	
+Si	17.3951	21.2225	76.3127	
+Si	14.4859	22.2584	75.7965	
+Si	13.3836	21.5609	67.2886	
+Si	14.6673	17.4204	66.1719	
+Si	22.7834	17.1863	89.3068	
+Si	13.9037	13.2462	88.3027	
+Si	19.9305	16.0578	88.3093	
+Si	19.9627	20.687	91.1246	
+Si	22.1908	22.5772	89.8676	
+Si	17.1704	12.727	82.9095	
+Si	14.9943	17.6597	80.1037	
+Si	17.1482	11.2154	74.9538	
+Si	16.5112	16.4405	68.3754	
+Si	14.1993	11.8066	79.7725	
+Si	16.4717	10.2265	71.9245	
+Si	14.8721	7.1746	69.1377	
+Si	13.0982	5.56355	80.6333	
+Si	14.4389	0.0986931	79.8177	
+Si	12.7036	6.30363	74.9012	
+Si	13.1491	3.677	76.6371	
+Si	14.1649	3.14583	71.3267	
+Si	6.45583	19.7011	72.8835	
+Si	9.84977	23.0399	71.4464	
+Si	11.378	12.2242	78.5469	
+Si	12.3865	11.625	74.5782	
+Si	9.40589	16.2697	72.814	
+Si	10.9862	16.765	70.0618	
+Si	9.8408	15.0386	67.5239	
+Si	6.43754	13.8503	71.7594	
+Si	7.97292	8.06796	74.9453	
+Si	9.51184	3.05626	77.0524	
+Si	8.78218	0.878506	80.532	
+Si	8.50141	9.62841	70.5922	
+Si	8.57274	0.0377374	67.2691	
+Si	19.3233	18.7126	65.4259	
+Si	21.8019	5.31408	62.8734	
+Si	16.8814	8.95541	67.4775	
+Si	9.93876	5.26774	65.4018	
+Si	12.6492	4.61473	64.1617	
+Si	16.7532	0.414664	62.8711	
+Si	13.5053	1.77127	67.0914	
+Si	11.8367	8.67157	66.6958	
+Si	15.7561	6.78147	62.0494	
+Si	16.572	3.7555	61.9279	
+Si	19.5591	9.89252	64.6383	
+Si	15.1259	13.378	66.5689	
+Si	21.692	14.7176	64.9094	
+Si	23.4607	21.0237	65.7705	
+Si	9.97154	0.299813	72.9369	
+Si	9.58795	4.34434	70.5282	
+Si	9.72778	8.26527	80.0193	
+Si	7.46824	15.5922	76.8637	
+Si	6.39496	13.349	74.8073	
+Si	8.79088	13.6176	85.5587	
+Si	10.9496	18.1441	77.8124	
+Si	9.20087	19.6654	79.8203	
+Si	15.9213	1.17835	73.2044	
+Si	13.4353	9.85046	72.1409	
+Si	12.8199	12.575	70.797	
+Si	13.0614	7.72871	82.9701	
+Si	14.2432	16.3484	75.2633	
+Si	13.3438	14.0707	81.7267	
+Si	15.9553	14.9501	84.9758	
+Si	13.8711	20.4282	72.0793	
+Si	12.9584	21.717	88.3799	
+Si	11.4459	18.1713	84.953	
+Si	20.9406	3.15364	72.1254	
+Si	18.5583	3.8629	82.2711	
+Si	22.9396	4.47719	78.025	
+Si	21.7532	7.15493	84.5473	
+Si	21.8601	15.1417	67.984	
+Si	19.5619	15.3631	77.717	
+Si	20.6634	15.4392	74.7045	
+Si	23.356	14.4075	73.3076	
+Si	18.24	24.5653	89.5224	
+Si	18.5045	32.8683	61.0517	
+Si	21.308	33.0322	59.9676	
+Si	18.3975	38.6021	59.5404	
+Si	8.55363	26.031	80.2485	
+Si	10.9382	24.1129	83.3911	
+Si	11.5241	32.045	76.803	
+Si	10.5671	36.3185	80.8434	
+Si	11.8862	31.6324	72.2275	
+Si	10.5401	36.9028	75.6504	
+Si	9.1228	34.0766	86.3269	
+Si	8.62833	43.542	78.0943	
+Si	12.6356	24.515	68.1118	
+Si	12.2119	27.0557	73.3864	
+Si	15.3384	26.34	86.7472	
+Si	11.2226	30.1197	69.5153	
+Si	16.2753	29.719	78.2841	
+Si	13.0759	30.9229	-1.90916	
+Si	13.4786	37.1003	81.6535	
+Si	14.629	38.9452	71.314	
+Si	15.771	42.3075	68.2251	
+Si	17.5926	39.8981	76.6754	
+Si	15.027	43.8955	82.7605	
+Si	14.039	44.7432	0.285449	
+Si	19.9867	28.0587	76.6653	
+Si	21.6847	25.9751	79.8448	
+Si	22.8413	41.2281	69.6465	
+Si	19.4028	43.9653	79.774	
+Si	18.1448	42.3194	-2.08386	
+Si	3.6461	53.278	5.08556	
+Si	4.45899	53.5018	9.38008	
+Si	4.20726	51.7637	16.0609	
+Si	0.803407	53.4075	21.082	
+Si	0.452648	60.809	4.13092	
+Si	0.97699	61.3539	8.65908	
+Si	2.45782	60.4687	11.2744	
+Si	7.43955	47.4074	1.23016	
+Si	9.98058	49.049	14.5816	
+Si	11.7393	49.9115	12.0275	
+Si	10.9985	55.1534	2.46537	
+Si	8.15797	53.8779	1.87909	
+Si	9.37134	54.5707	8.01176	
+Si	8.2488	54.5165	12.754	
+Si	10.7751	57.7053	7.31039	
+Si	8.36487	60.0949	12.0299	
+Si	8.01827	58.2712	14.5135	
+Si	11.759	62.5508	19.7384	
+Si	14.8127	48.9779	3.34124	
+Si	14.6943	50.0967	6.21694	
+Si	16.7951	48.6637	20.5844	
+Si	17.1551	51.24	10.7997	
+Si	14.7827	52.676	9.22498	
+Si	14.8815	60.9679	8.48592	
+Si	14.4866	65.304	5.16605	
+Si	16.0131	61.747	13.5547	
+Si	18.5497	47.6683	5.48993	
+Si	19.9219	48.1157	13.7234	
+Si	19.8152	52.6985	4.1204	
+Si	22.8877	52.3676	16.1522	
+Si	19.2239	52.8857	18.574	
+Si	20.8932	57.6405	6.96743	
+Si	18.8323	57.7943	0.423464	
+Si	17.733	56.5471	20.8814	
+Si	20.6619	61.7256	10.8628	
+Si	5.14797	47.155	27.124	
+Si	2.61997	47.9301	30.8381	
+Si	4.17706	46.3692	36.3259	
+Si	4.13628	53.062	31.5059	
+Si	6.33674	54.8657	30.1871	
+Si	3.09181	55.3875	27.8341	
+Si	2.06004	53.8539	38.4815	
+Si	5.6376	60.6307	31.3339	
+Si	1.44007	58.7298	30.1308	
+Si	0.00402915	57.0042	34.5427	
+Si	4.12963	59.3669	38.3184	
+Si	3.92977	62.5504	41.0918	
+Si	9.16986	47.8066	31.7148	
+Si	8.49354	50.2972	33.5796	
+Si	9.18964	45.1279	39.1207	
+Si	10.375	51.0078	38.4711	
+Si	8.37828	49.246	44.7222	
+Si	6.95788	49.681	41.9041	
+Si	6.5123	54.1523	39.885	
+Si	9.82624	59.7512	23.5002	
+Si	9.26069	59.2576	39.4699	
+Si	7.99465	64.3515	37.2764	
+Si	8.27593	67.4928	38.1239	
+Si	14.3035	48.2519	30.4104	
+Si	16.524	53.6043	24.0867	
+Si	16.2215	55.0239	39.3933	
+Si	13.7271	51.4782	43.7213	
+Si	17.7334	65.892	37.8656	
+Si	20.2336	48.4242	30.0827	
+Si	20.6775	52.3975	31.9581	
+Si	19.9014	52.0966	36.6101	
+Si	19.0182	51.4346	39.728	
+Si	18.3012	60.4068	25.9667	
+Si	21.5497	56.4447	38.1991	
+Si	20.0664	55.4375	43.8873	
+Si	21.7543	66.6107	27.6775	
+Si	20.2543	64.5866	43.6151	
+Si	23.0881	64.7928	42.7671	
+Si	2.16777	53.242	47.8467	
+Si	1.68293	55.5856	49.8628	
+Si	3.78944	59.7574	52.4265	
+Si	1.43133	59.7582	58.2323	
+Si	4.35177	58.0681	62.1235	
+Si	6.88093	58.4311	63.6681	
+Si	5.431	65.3295	46.5031	
+Si	5.42073	63.0928	63.9256	
+Si	10.8023	52.8432	51.3424	
+Si	7.58566	54.3658	65.1909	
+Si	11.9058	60.4888	54.2696	
+Si	7.84919	56.941	53.4521	
+Si	10.3318	55.6388	59.5111	
+Si	7.44253	59.9602	57.2268	
+Si	10.278	60.3593	66.0999	
+Si	10.7471	62.939	47.6171	
+Si	8.76138	65.3183	58.863	
+Si	14.135	46.8071	46.9992	
+Si	15.7111	46.5745	51.355	
+Si	16.9919	49.3964	50.5934	
+Si	15.5265	47.4657	57.2144	
+Si	17.157	47.9607	64.1427	
+Si	14.7914	54.233	59.3084	
+Si	14.2056	60.4713	49.8069	
+Si	16.4582	56.8001	53.7542	
+Si	14.4701	64.9747	52.0211	
+Si	13.1052	66.7988	60.1936	
+Si	20.807	49.4838	55.4736	
+Si	18.5778	54.1199	47.6687	
+Si	19.4319	56.1768	65.4609	
+Si	20.3172	59.6769	59.6439	
+Si	19.7135	62.9349	62.9174	
+Si	4.33634	46.5932	77.7032	
+Si	4.97379	48.3222	74.4563	
+Si	4.36284	55.2455	79.0782	
+Si	5.49632	60.0875	82.6156	
+Si	-0.18188	65.3102	71.5413	
+Si	3.87794	63.0896	70.4781	
+Si	6.68475	61.7621	69.8332	
+Si	7.30175	46.987	82.3151	
+Si	8.07721	54.6953	74.2038	
+Si	7.26357	51.413	81.7167	
+Si	10.366	50.4971	82.0182	
+Si	8.6841	53.2887	-2.33044	
+Si	8.15443	56.0848	-3.88711	
+Si	9.18325	61.9522	74.4132	
+Si	16.1546	57.0897	71.4879	
+Si	15.9527	56.7231	87.5266	
+Si	13.907	65.3142	76.9415	
+Si	20.8103	46.7519	70.1263	
+Si	21.2653	49.2443	72.17	
+Si	20.0906	50.2708	82.0455	
+Si	19.9819	54.1549	73.7072	
+Si	18.8179	55.4231	79.5272	
+Si	19.1926	66.439	67.2731	
+Si	5.06045	68.1169	10.8428	
+Si	11.0311	69.1794	9.64829	
+Si	10.0728	69.8806	13.5	
+Si	15.6907	69.237	19.7441	
+Si	4.07159	70.0553	31.7045	
+Si	1.16155	68.2879	37.0465	
+Si	3.79608	71.3565	39.4775	
+Si	2.00522	75.4251	40.4298	
+Si	7.36201	71.7738	36.1795	
+Si	6.61367	75.0736	40.7652	
+Si	12.3514	71.6716	37.7394	
+Si	16.03	70.9552	36.4767	
+Si	16.9389	74.5401	38.4718	
+Si	20.9939	68.8981	38.8961	
+Si	22.5275	67.9385	36.3803	
+Si	0.367889	70.9	51.904	
+Si	4.38828	71.0602	54.2891	
+Si	1.18361	70.9311	62.142	
+Si	4.82319	70.9662	66.0993	
+Si	2.53744	76.9852	46.3783	
+Si	0.412109	72.6749	57.6298	
+Si	-0.78336	77.4228	55.1906	
+Si	4.25124	76.5627	55.8712	
+Si	1.99053	79.7575	51.1476	
+Si	2.35254	81.3412	60.0396	
+Si	9.39616	70.8233	47.9627	
+Si	10.3381	74.6899	64.9192	
+Si	11.0587	80.423	63.3686	
+Si	10.6991	-0.57996	63.0497	
+Si	14.3797	68.7167	46.3094	
+Si	17.7617	71.6057	59.7942	
+Si	12.3338	80.083	50.4285	
+Si	15.3079	79.4976	60.3014	
+Si	14.5109	84.7429	59.1208	
+Si	20.4762	71.5714	61.3892	
+Si	21.1338	76.414	51.3616	
+Si	20.9493	-0.3292	65.2725	
+Si	10.409	80.2511	68.0668	
+Si	10.6546	83.4169	67.2816	
+Si	9.24332	81.0839	72.6384	
+Si	7.62611	80.3534	76.389	
+Si	8.67537	85.1519	76.9855	
+Si	11.9863	71.0433	69.4954	
+Si	15.0607	71.5181	68.6064	
+Si	14.8956	69.2537	72.6558	
+Si	13.403	75.5831	69.4389	
+Si	17.051	77.3256	75.8149	
+Si	14.5959	85.0438	80.3608	
+Si	15.9881	84.0574	83.148	
+Si	19.5489	70.7065	78.079	
+Si	19.8588	71.2972	84.5219	
+Si	22.5812	77.8062	75.189	
+Si	20.1634	75.826	84.1674	
+Si	20.7377	82.4586	84.2454	
+Si	20.1213	-2.43577	78.2193	
+Si	22.7822	-3.86219	77.2731	
+Si	26.1396	2.57594	61.2063	
+Si	25.6127	1.26306	65.0028	
+Si	23.4405	13.9385	83.2222	
+Si	28.2423	20.712	66.4293	
+Si	31.0605	2.73012	77.7934	
+Si	30.305	11.3134	78.0978	
+Si	31.0539	17.8478	80.5563	
+Si	26.9841	32.4987	6.14141	
+Si	24.8783	32.456	0.304164	
+Si	24.1389	29.5403	4.46498	
+Si	25.3244	39.3117	13.9663	
+Si	25.6352	42.0909	9.81648	
+Si	27.9263	44.4934	9.94068	
+Si	30.8948	35.2616	8.41552	
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+Si	29.1636	44.6875	2.89675	
+Si	24.2579	28.0439	29.3725	
+Si	25.5329	34.9169	37.1453	
+Si	25.7184	36.2967	34.3939	
+Si	27.9661	36.4169	42.2755	
+Si	23.2328	34.0859	40.7132	
+Si	24.9871	39.1738	40.9926	
+Si	25.2394	43.6341	39.8693	
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+Ca	9.68971	81.8256	60.3504	
+Ca	7.98043	82.2358	57.3747	
+Ca	8.80017	81.5529	65.3388	
+Ca	10.9728	83.8566	63.8584	
+Ca	15.9467	66.6505	47.9631	
+Ca	16.6143	69.6091	49.0313	
+Ca	16.088	68.6453	59.7937	
+Ca	14.3306	72.1305	60.82	
+Ca	12.8372	76.9455	48.387	
+Ca	15.5008	81.8299	57.7399	
+Ca	18.2741	79.825	58.0579	
+Ca	13.0187	82.0525	60.8644	
+Ca	17.2098	85.3676	61.4885	
+Ca	15.2876	-1.04108	65.4771	
+Ca	20.7547	71.361	57.8659	
+Ca	19.6035	68.6899	59.6494	
+Ca	21.7176	68.9003	62.3729	
+Ca	21.3984	73.5438	49.3759	
+Ca	19.6857	74.5946	59.9316	
+Ca	18.0509	76.788	65.0639	
+Ca	5.31713	-0.35944	68.5661	
+Ca	9.25826	70.3906	74.8858	
+Ca	5.72716	76.0923	72.959	
+Ca	7.20381	76.8878	76.0172	
+Ca	9.35741	73.1706	80.946	
+Ca	12.5132	73.3059	81.6837	
+Ca	11.677	76.2631	79.8443	
+Ca	17.0288	68.7501	69.3207	
+Ca	16.2718	74.3494	70.3209	
+Ca	13.8142	79.0726	68.9347	
+Ca	11.5443	78.5734	71.1755	
+Ca	16.3196	76.7083	72.6155	
+Ca	14.69	74.7733	75.1994	
+Ca	14.6236	82.1168	79.1425	
+Ca	19.0537	70.9224	81.2317	
+Ca	21.741	73.2713	79.0138	
+Ca	23.3363	71.1124	84.8538	
+Ca	19.5064	75.8522	74.0533	
+Ca	23.8098	75.3841	84.5461	
+Ca	24.744	20.1242	88.3446	
+Ca	28.1892	3.44433	63.6091	
+Ca	24.38	7.9673	63.5841	
+Ca	29.2625	9.76172	64.4584	
+Ca	23.5073	5.17736	74.4836	
+Ca	25.5741	0.288414	80.8213	
+Ca	25.3661	14.0529	80.4958	
+Ca	22.8097	16.3281	81.067	
+Ca	25.5679	16.7042	83.2946	
+Ca	30.4397	1.43688	69.0409	
+Ca	31.883	2.59272	74.9235	
+Ca	29.2695	11.0625	70.8841	
+Ca	29.7706	15.1941	74.8298	
+Ca	31.7046	17.73	76.8307	
+Ca	34.451	19.3206	75.9954	
+Ca	27.1031	31.0966	2.91265	
+Ca	27.0334	34.2437	2.78537	
+Ca	24.5593	33.0911	3.99784	
+Ca	22.5546	38.102	14.8295	
+Ca	26.8769	42.1638	4.86645	
+Ca	26.8261	43.7014	18.7327	
+Ca	30.516	41.8853	4.5674	
+Ca	31.4286	45.3103	5.02061	
+Ca	25.9525	38.3701	37.186	
+Ca	28.614	35.8395	38.2686	
+Ca	28.3486	35.6678	32.1664	
+Ca	25.1494	33.8761	43.7624	
+Ca	25.4123	37.3517	44.0713	
+Ca	25.2659	41.9022	42.9441	
+Ca	24.8847	45.191	43.1235	
+Ca	30.9546	37.5188	37.9061	
+Ca	30.1691	40.5427	37.3713	
+Ca	30.7814	43.1571	42.4378	
+Ca	33.38	40.9313	43.2029	
+Ca	25.1693	28.6806	60.1183	
+Ca	22.2664	26.4382	60.3505	
+Ca	26.2122	23.9668	65.6776	
+Ca	29.068	29.3999	57.0944	
+Ca	27.1664	38.3315	52.2565	
+Ca	27.4356	34.6675	56.4298	
+Ca	27.5269	34.8937	52.8274	
+Ca	25.985	40.7347	49.708	
+Ca	29.4472	41.6615	51.0301	
+Ca	25.9149	42.9909	52.3844	
+Ca	25.2867	40.5628	54.4005	
+Ca	25.965	40.0233	60.8182	
+Ca	31.2594	26.8716	62.032	
+Ca	27.8534	31.2082	54.8368	
+Ca	33.5513	32.1508	51.7727	
+Ca	32.3707	27.1818	56.2534	
+Ca	32.6142	30.0757	62.0532	
+Ca	30.6111	31.0424	67.977	
+Ca	31.894	27.8151	67.4109	
+Ca	33.1074	31.1281	65.9435	
+Ca	29.8762	32.2488	63.4098	
+Ca	33.8627	37.8509	49.5214	
+Ca	30.224	36.012	54.6496	
+Ca	32.2012	43.8687	52.6422	
+Ca	29.4289	44.4293	57.1097	
+Ca	31.0318	41.5595	57.8959	
+Ca	31.6173	41.559	61.2083	
+Ca	32.9363	44.092	59.2896	
+Ca	30.2566	41.4574	65.3986	
+Ca	36.6918	33.2689	54.1874	
+Ca	39.2525	31.1985	54.29	
+Ca	38.4648	36.9774	57.1308	
+Ca	36.1968	44.3049	52.9225	
+Ca	39.4347	45.2881	52.6684	
+Ca	38.7163	42.5141	54.7969	
+Ca	38.2734	42.4139	63.577	
+Ca	40.8694	32.2908	62.1627	
+Ca	42.275	37.7104	65.056	
+Ca	40.7121	45.3152	56.1302	
+Ca	25.6609	31.0429	74.8378	
+Ca	26.0923	30.6346	78.7859	
+Ca	24.9125	29.9544	82.8944	
+Ca	29.47	42.2729	72.2096	
+Ca	26.4511	42.9684	80.8347	
+Ca	27.0548	43.3808	84.2374	
+Ca	25.9121	41.0721	-0.42719	
+Ca	30.0629	30.8504	79.6042	
+Ca	31.1279	32.8138	82.4223	
+Ca	30.4905	33.3958	-1.94732	
+Ca	30.4668	37.2887	85.1551	
+Ca	32.142	40.2442	83.8245	
+Ca	29.7106	42.2346	82.2089	
+Ca	29.6192	44.7241	79.6102	
+Ca	31.609	42.3957	78.5789	
+Ca	27.5025	50.3926	0.819415	
+Ca	29.9054	48.0394	2.45654	
+Ca	27.7298	46.5907	0.327035	
+Ca	26.0898	53.0897	3.38236	
+Ca	24.6212	54.0371	10.0932	
+Ca	26.7233	56.4998	8.98616	
+Ca	24.4759	58.0516	6.39233	
+Ca	29.6196	46.0348	20.019	
+Ca	29.3915	49.1921	19.79	
+Ca	31.5095	47.9045	22.5041	
+Ca	25.3409	47.5685	24.8408	
+Ca	28.8392	48.9038	25.2999	
+Ca	29.2025	47.905	31.2548	
+Ca	27.4184	60.2516	24.5439	
+Ca	24.1859	59.3291	26.8658	
+Ca	26.9464	59.5923	28.4787	
+Ca	28.6948	59.3391	32.4983	
+Ca	25.6898	63.2858	29.8944	
+Ca	29.9948	54.3682	39.5156	
+Ca	32.2736	52.8685	42.2527	
+Ca	30.7546	60.1348	41.7774	
+Ca	30.7609	63.7223	42.6485	
+Ca	33.5328	48.025	45.2111	
+Ca	37.7162	52.7805	43.4965	
+Ca	24.9141	46.6987	49.0579	
+Ca	26.4415	51.7334	53.3581	
+Ca	25.8392	49.7805	50.9153	
+Ca	25.2896	49.1531	60.3738	
+Ca	26.797	53.9952	65.884	
+Ca	24.1946	51.3608	65.7542	
+Ca	25.0275	60.3686	48.1573	
+Ca	26.5427	58.183	62.5258	
+Ca	24.8545	64.0372	59.3411	
+Ca	28.222	64.6545	58.6541	
+Ca	25.6995	61.5238	63.5543	
+Ca	25.5554	63.8989	67.0286	
+Ca	34.8064	46.5649	57.7507	
+Ca	32.6192	59.2096	64.5014	
+Ca	30.1004	62.4841	51.6366	
+Ca	31.2492	65.7589	56.8005	
+Ca	37.0082	45.0997	49.0605	
+Ca	35.3071	48.4719	48.9085	
+Ca	36.3609	53.3159	56.1845	
+Ca	39.8545	53.786	53.4274	
+Ca	36.7716	54.694	53.2215	
+Ca	38.9847	50.1624	51.503	
+Ca	35.9222	59.806	52.8917	
+Ca	42.8209	48.2029	54.3558	
+Ca	43.8221	45.5695	62.3942	
+Ca	42.6318	46.52	65.6201	
+Ca	42.9987	50.0353	60.3492	
+Ca	41.2739	58.9394	51.5221	
+Ca	26.8695	49.395	68.4447	
+Ca	27.4199	53.605	82.9883	
+Ca	25.9863	56.7939	83.1981	
+Ca	26.1676	56.2122	79.9004	
+Ca	25.9353	59.9378	70.0846	
+Ca	25.1412	61.2401	76.6805	
+Ca	27.3819	60.7367	73.3994	
+Ca	24.8023	65.3054	70.3474	
+Ca	27.3579	62.9285	69.5757	
+Ca	28.3498	65.5329	72.5066	
+Ca	24.4029	65.6343	82.016	
+Ca	31.6817	48.7588	69.379	
+Ca	30.9144	49.2014	72.8884	
+Ca	35.1268	47.0478	77.5604	
+Ca	31.5638	46.1633	81.7835	
+Ca	31.3174	48.9391	83.717	
+Ca	31.0875	45.7611	-0.056	
+Ca	31.1648	53.6322	70.0161	
+Ca	28.5245	57.9901	75.532	
+Ca	32.0101	56.7985	75.5576	
+Ca	30.6841	59.9648	74.0382	
+Ca	29.0269	58.9703	-1.86995	
+Ca	30.2253	63.4065	74.6764	
+Ca	29.804	64.9254	78.0006	
+Ca	36.2817	48.3258	73.5506	
+Ca	36.9012	50.581	71.1412	
+Ca	34.9028	45.516	80.7232	
+Ca	24.445	69.1207	47.7508	
+Ca	25.5735	72.1519	46.1923	
+Ca	26.596	74.9364	65.8414	
+Ca	23.8593	79.8875	57.2563	
+Ca	29.162	-7.27005	67.3434	
+Ca	28.9868	-4.65598	65.235	
+Ca	26.9362	69.2416	81.2539	
+Ca	27.7349	72.9164	80.2315	
+Ca	26.5913	77.8634	79.0399	
+Ca	45.9903	48.2631	54.6517	
+Ca	-3.41562	48.9199	15.1846	
+Ca	-0.13013	63.5109	13.9366	
+Ca	-3.93991	59.4001	39.259	
+Ca	-2.86408	60.7193	45.6432	
+Ca	-2.57775	60.6611	42.2902	
+Ca	-5.93538	61.7255	43.8907	
+Ca	-3.98631	65.5399	39.4202	
+Ca	-5.7031	62.0417	47.8054	
+Ca	-5.04513	66.5984	47.3913	
+Ca	-1.64692	56.0563	63.0519	
+Ca	-3.02193	64.1515	48.922	
+Ca	-3.98392	62.4633	51.6025	
+Ca	-3.02244	69.8512	50.6073	
+Ca	-3.58329	72.9033	48.2839	
+Ca	-1.48634	75.8828	58.5391	
+Ca	-3.74766	75.2309	61.2164	
+Ca	-4.9674	75.0394	58.1567	
+Ca	-3.85541	76.6692	67.242	
+Ca	-5.64662	70.5566	68.5847	
Index: tests/Tesselations/cycloheptane.test
===================================================================
--- tests/Tesselations/cycloheptane.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cycloheptane.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat
===================================================================
--- tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,42 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H08_ H12_ H13", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+5 8.6586 6.1486 0
+5.8635 8.4046 7.6783 0
+5 6.2994 6.8126 0
+5.8636 6.5536 5.2829 0
+7.3542 8.4502 5.0387 1
+6.9547 9.9582 5.8977 1
+7.3543 6.508 7.9225 1
+6.9548 5 7.0635 1
+8.9465 9.5601 6.9649 1
+7.953 8.4731 7.9612 1
+8.9466 5.3982 5.9963 1
+7.953 6.4851 5 1
+9.7848 7.8062 5.6598 0
+9.7848 7.1521 7.3014 0
+
+11 13 14
+7 11 14
+11 12 13
+7 8 11
+7 10 14
+8 11 12
+5 12 13
+3 7 8
+2 7 10
+9 10 14
+4 8 12
+4 5 12
+5 9 13
+2 3 7
+3 4 8
+2 6 10
+6 9 10
+9 13 14
+1 4 5
+5 6 9
+1 2 3
+1 3 4
+1 2 6
+1 5 6
Index: tests/Tesselations/cycloheptane/cycloheptane.xyz
===================================================================
--- tests/Tesselations/cycloheptane/cycloheptane.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/cycloheptane/cycloheptane.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,23 @@
+21
+NCI NSC 5164 Cycloheptane (8CI9CI)
+C   -1.5167    0.7428    0.1234
+C   -1.5167   -0.7429   -0.1234
+C   -0.2715    1.4100   -0.4687
+C   -0.2715   -1.4100    0.4688
+C    0.9161    1.1880    0.4734
+C    0.9162   -1.1879   -0.4734
+C    1.7410    0.0000    0.0000
+H   -2.4055    1.1795   -0.3320
+H   -1.5420    0.9255    1.1977
+H   -2.4055   -1.1797    0.3320
+H   -1.5419   -0.9255   -1.1977
+H   -0.0513    0.9711   -1.4419
+H   -0.4508    2.4791   -0.5829
+H   -0.0512   -0.9711    1.4419
+H   -0.4507   -2.4791    0.5829
+H    1.5410    2.0810    0.4843
+H    0.5475    0.9940    1.4806
+H    1.5411   -2.0809   -0.4843
+H    0.5475   -0.9940   -1.4806
+H    2.3793    0.3271   -0.8208
+H    2.3793   -0.3270    0.8208
Index: tests/Tesselations/dimethyl_bromomalonate.test
===================================================================
--- tests/Tesselations/dimethyl_bromomalonate.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/dimethyl_bromomalonate.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat
===================================================================
--- tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,36 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H12_ H13_ H14", N=12, E=20, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+8.1538 5 6.6665 1
+6.8226 7.583 6.9158 4
+8.3215 8.9565 6.0497 1
+11.4075 7.0268 6.1418 3
+10.2442 7.0102 8.0205 2
+9.1667 6.6366 5 1
+5.6524 9.1737 6.2435 1
+5 8.2898 7.644 0
+6.3807 9.3936 7.8527 1
+12.5832 8.1832 7.4193 1
+12.822 6.4244 7.5516 1
+13.4745 7.3082 6.1511 0
+
+4 11 12
+1 4 11
+4 10 12
+1 4 6
+1 5 11
+3 4 10
+10 11 12
+1 2 6
+3 4 6
+1 2 5
+5 10 11
+3 5 10
+2 6 7
+3 6 7
+2 5 9
+3 5 9
+2 7 8
+3 7 9
+2 8 9
+7 8 9
Index: tests/Tesselations/dimethyl_bromomalonate/dimethyl_bromomalonate.xyz
===================================================================
--- tests/Tesselations/dimethyl_bromomalonate/dimethyl_bromomalonate.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/dimethyl_bromomalonate/dimethyl_bromomalonate.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,19 @@
+17
+NCI NSC 175888 No Name
+C    0.1684    0.0862   -0.6343
+C   -0.7820    1.2230   -0.3596
+C    1.4571    0.3173    0.1119
+Br   -0.6406   -1.6032   -0.0372
+O   -1.9718    0.9798    0.2121
+O   -0.4729    2.3533   -0.6540
+O    2.6131    0.4236   -0.5619
+O    1.4498    0.4070    1.3168
+C   -2.8875    2.0751    0.4768
+C    3.8548    0.6463    0.1571
+H    0.3723    0.0334   -1.7037
+H   -3.1420    2.5705   -0.4602
+H   -3.7944    1.6866    0.9403
+H   -2.4137    2.7904    1.1490
+H    3.7888    1.5800    0.7156
+H    4.0276   -0.1788    0.8479
+H    4.6801    0.7050   -0.5526
Index: tests/Tesselations/glucose.test
===================================================================
--- tests/Tesselations/glucose.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/glucose.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat
===================================================================
--- tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,57 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- C09_ O12_ H17", N=19, E=34, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+9.5866 5 7.577 1
+8.4149 7.4116 8.4659 1
+10.7728 8.1356 6.0987 0
+5.8481 7.0147 7.2548 3
+6.9582 5.7712 5.5314 0
+13.2253 6.9022 6.7645 1
+5 7.2382 6.4246 1
+9.4732 5.8444 5.6948 2
+8.2899 7.8851 6.4588 2
+10.8863 7.2913 7.9809 1
+9.6484 5.3188 8.4878 0
+7.0832 5.2977 7.5386 1
+8.4415 6.6041 8.9973 0
+12.0695 5.2505 7.2169 2
+11.9664 5.8208 5.5339 0
+10.7111 7.8168 5.1879 1
+5.745 7.4139 8.253 1
+6.9316 6.5787 5 1
+13.9687 6.3319 6.5257 0
+
+6 14 19
+6 10 14
+14 15 19
+3 6 10
+10 11 14
+1 14 15
+15 16 19
+3 6 16
+2 3 10
+10 11 13
+1 11 14
+1 8 15
+8 15 16
+6 16 19
+3 9 16
+2 3 9
+2 10 13
+11 12 13
+1 11 12
+1 5 8
+8 16 18
+9 16 18
+2 9 17
+2 13 17
+12 13 17
+1 5 12
+5 8 18
+7 9 18
+7 9 17
+4 12 17
+5 7 12
+5 7 18
+4 7 17
+4 7 12
Index: tests/Tesselations/glucose/glucose.xyz
===================================================================
--- tests/Tesselations/glucose/glucose.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/glucose/glucose.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,26 @@
+24
+NCI NSC 406891 Sugar, grape
+C    0.5323   -0.5022   -0.1225
+C   -0.6882    0.3464    0.2398
+C    1.8050    0.3228    0.0790
+O    0.5755   -1.6575    0.7174
+C   -1.9609   -0.4786    0.0383
+O   -0.5962    0.7541    1.6063
+C    3.0255   -0.5258   -0.2833
+O    1.7617    1.4781   -0.7609
+C   -3.1630    0.3572    0.3952
+O   -2.0529   -0.8863   -1.3282
+O    4.2142    0.2447   -0.0951
+O   -4.0111    0.5807   -0.4350
+H    0.4621   -0.8131   -1.1648
+H   -0.7212    1.2276   -0.4008
+H    1.8752    0.6338    1.1213
+H    0.6373   -1.3387    1.6282
+H   -1.9279   -1.3598    0.6790
+H   -0.5696   -0.0534    2.1377
+H    3.0584   -1.4070    0.3573
+H    2.9553   -0.8367   -1.3257
+H    1.7000    1.1593   -1.6717
+H   -3.2661    0.7564    1.3934
+H   -2.0795   -0.0788   -1.8596
+H    4.9576   -0.3256   -0.3339
Index: tests/Tesselations/heptan.test
===================================================================
--- tests/Tesselations/heptan.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/heptan.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat
===================================================================
--- tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,48 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H07_ H08_ H11", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+9.6377 5 6.78 0
+9.6377 5 5 0
+8.3885 7.142 6.78 0
+8.3885 7.142 5 0
+10.8869 7.142 5 0
+10.8869 7.142 6.78 0
+7.1392 5 5 0
+7.1392 5 6.78 0
+12.1362 5 6.78 0
+12.1362 5 5 0
+5 5.8833 5.89 0
+5.89 7.142 6.78 0
+5.89 7.142 5 0
+14.2754 5.8833 5.89 0
+13.3854 7.142 5 0
+13.3854 7.142 6.78 0
+
+14 15 16
+6 15 16
+5 6 15
+9 14 16
+6 9 16
+3 5 6
+3 4 5
+5 10 15
+9 10 14
+1 6 9
+1 3 6
+3 4 13
+3 12 13
+2 4 5
+2 5 10
+10 14 15
+2 9 10
+1 2 9
+1 3 8
+4 7 13
+3 8 12
+11 12 13
+2 4 7
+1 2 7
+1 7 8
+7 11 13
+8 11 12
+7 8 11
Index: tests/Tesselations/heptan/heptan.xyz
===================================================================
--- tests/Tesselations/heptan/heptan.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/heptan/heptan.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,25 @@
+23
+	Created by molecuilder on Mon Jul 28 11:56:27 2008
+H	-0.000000727	-1.220059091	0.930454545	
+H	-0.000000727	-1.220059091	-0.849545455	
+H	-1.249200727	0.921940909	0.930454545	
+H	-1.249200727	0.921940909	-0.849545455	
+H	1.249199273	0.921940909	-0.849545455	
+H	1.249199273	0.921940909	0.930454545	
+H	-2.498500727	-1.220059091	-0.849545455	
+H	-2.498500727	-1.220059091	0.930454545	
+H	2.498499273	-1.220059091	0.930454545	
+H	2.498499273	-1.220059091	-0.849545455	
+H	-4.637700727	-0.336759091	0.040454545	
+H	-3.747700727	0.921940909	0.930454545	
+H	-3.747700727	0.921940909	-0.849545455	
+H	4.637703273	-0.336759091	0.040454545	
+H	3.747703273	0.921940909	-0.849545455	
+H	3.747703273	0.921940909	0.930454545	
+C	-0.000000727	-0.590759091	0.040454545	
+C	-1.249200727	0.292640909	0.040454545	
+C	1.249199273	0.292640909	0.040454545	
+C	-2.498500727	-0.590759091	0.040454545	
+C	2.498499273	-0.590759091	0.040454545	
+C	-3.747700727	0.292640909	0.040454545	
+C	3.747703273	0.292640909	0.040454545	
Index: tests/Tesselations/isoleucine.test
===================================================================
--- tests/Tesselations/isoleucine.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/isoleucine.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat
===================================================================
--- tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,51 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H20_ H21_ H22", N=17, E=30, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+10.8909 7.216 6.6663 5
+9.4763 5.271 6.3191 1
+11.3575 6.6774 7.6421 1
+11.523 8.2614 6.1101 1
+9.5952 6.9017 5 2
+8.5137 8.5149 6.5416 3
+9.4847 5.1453 7.3202 0
+8.5581 5 6.0005 0
+7.1069 7.1222 5.0484 1
+7.0198 5.8637 6.3042 2
+9.3625 7.5438 8.6595 1
+7.5898 7.7009 8.6939 1
+8.337 6.11 8.4129 0
+12.3517 8.5835 6.4903 1
+5.9384 7.477 7.8458 1
+6.0254 8.7354 6.59 0
+5 7.3015 6.3435 0
+
+1 3 14
+1 2 3
+1 4 14
+1 2 5
+2 3 7
+1 4 5
+4 6 14
+2 5 8
+2 7 8
+3 7 13
+4 5 6
+6 11 14
+5 8 9
+7 8 13
+3 11 13
+5 6 9
+6 11 12
+3 11 14
+8 9 10
+8 10 13
+11 12 13
+6 9 16
+6 12 16
+9 10 17
+10 13 15
+12 13 15
+9 16 17
+12 15 16
+10 15 17
+15 16 17
Index: tests/Tesselations/isoleucine/isoleucine.xyz
===================================================================
--- tests/Tesselations/isoleucine/isoleucine.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/isoleucine/isoleucine.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,24 @@
+22
+NCI NSC 46708 2-Amino-3-methylvaleric acid
+C    0.3772   -0.3291   -0.6807
+C   -0.7998    0.4009   -0.0307
+C    1.6687    0.1728   -0.0881
+N    0.2541   -1.7722   -0.4353
+C   -2.1110   -0.1087   -0.6323
+C   -0.7939    0.1376    1.4765
+O    2.1353   -0.3658    0.8877
+O    2.3008    1.2182   -0.6443
+C   -3.2881    0.6214    0.0177
+H    0.3730   -0.1415   -1.7544
+H   -0.7085    1.4717   -0.2128
+H    0.2625   -1.8979    0.5658
+H   -0.6641   -2.0432   -0.7539
+H   -2.1153    0.0790   -1.7060
+H   -2.2024   -1.1795   -0.4502
+H    0.1403    0.5006    1.9051
+H   -1.6324    0.6577    1.9395
+H   -0.8852   -0.9332    1.6585
+H    3.1295    1.5403   -0.2641
+H   -3.2838    0.4338    1.0914
+H   -3.1968    1.6922   -0.1644
+H   -4.2222    0.2583   -0.4109
Index: tests/Tesselations/neohexane.test
===================================================================
--- tests/Tesselations/neohexane.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/neohexane.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat
===================================================================
--- tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,42 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H10_ H15_ H20", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+7.1525 6.2503 8.0589 1
+7.1525 8.0303 8.0578 1
+9.2453 8.3877 5 0
+7.4655 8.3878 5.0272 0
+8.3746 9.2785 6.2715 0
+9.6507 8.0303 8.0197 0
+9.6507 6.2503 8.0207 0
+10.5213 7.1395 6.7481 0
+7.4655 5.8893 5.0286 0
+9.2453 5.8893 5.0015 0
+8.3746 5 6.2741 0
+5.8707 6.2491 5.9362 1
+5 7.1398 7.2078 0
+5.8707 8.029 5.9352 1
+
+6 7 8
+1 6 7
+7 8 10
+1 2 6
+1 7 11
+7 10 11
+3 8 10
+1 2 13
+2 5 6
+1 11 12
+9 10 11
+3 6 8
+3 9 10
+1 12 13
+2 13 14
+2 5 14
+3 5 6
+9 11 12
+3 4 9
+12 13 14
+4 5 14
+3 4 5
+9 12 14
+4 9 14
Index: tests/Tesselations/neohexane/neohexane.xyz
===================================================================
--- tests/Tesselations/neohexane/neohexane.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/neohexane/neohexane.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,22 @@
+20
+NCI NSC 74126 2, 2-Dimethylbutane
+C    0.4214    0.0000    0.0039
+C   -0.8142    0.0005    0.9062
+C    0.4079    1.2487   -0.8801
+C    1.6840    0.0005    0.8681
+C    0.4079   -1.2498   -0.8786
+C   -2.0768    0.0000    0.0421
+H   -0.8046   -0.8891    1.5360
+H   -0.8046    0.8909    1.5349
+H    1.2882    1.2483   -1.5229
+H   -0.4916    1.2484   -1.4957
+H    0.4175    2.1391   -0.2514
+H    1.6936    0.8909    1.4968
+H    1.6936   -0.8891    1.4978
+H    2.5642    0.0001    0.2252
+H   -0.4916   -1.2501   -1.4943
+H    1.2882   -1.2501   -1.5214
+H    0.4175   -2.1394   -0.2488
+H   -2.0864   -0.8903   -0.5867
+H   -2.9571    0.0004    0.6849
+H   -2.0864    0.8896   -0.5877
Index: tests/Tesselations/proline.test
===================================================================
--- tests/Tesselations/proline.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/proline.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/proline/NonConvexEnvelope-proline.dat
===================================================================
--- tests/Tesselations/proline/NonConvexEnvelope-proline.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/proline/NonConvexEnvelope-proline.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,39 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- H10_ H13_ H17", N=13, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+9.2095 7.1856 6.6953 4
+9.3187 7.948 7.6262 2
+10.2878 6.5357 6.23 2
+7.0148 8.1597 6.2354 3
+11.1521 6.6776 6.6399 1
+7.983 6.7387 5 0
+6.9212 5 6.045 0
+7.7507 5.407 7.5776 1
+7.026 8.6532 5.3554 2
+5 5.7027 7.1829 0
+5.9424 6.6792 8.3566 0
+5.0178 8.3949 6.9381 1
+5.1862 7.3838 5.4662 0
+
+2 5 8
+2 8 11
+3 5 8
+2 11 12
+8 10 11
+1 3 5
+3 7 8
+2 4 12
+10 11 12
+7 8 10
+1 3 9
+1 2 5
+3 6 7
+2 4 9
+4 9 12
+10 12 13
+7 10 13
+1 2 9
+3 6 9
+6 7 13
+9 12 13
+6 9 13
Index: tests/Tesselations/proline/proline.xyz
===================================================================
--- tests/Tesselations/proline/proline.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/proline/proline.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,19 @@
+17
+NCI NSC 46703 2-Pyrrolidinecarboxylic acid, (S)-
+C    1.3674    0.1032    0.0298
+O    1.4766    0.8656    0.9607
+O    2.4457   -0.5467   -0.4355
+C    0.0194   -0.1227   -0.6050
+C   -0.7011   -1.2899    0.0949
+N   -0.8273    1.0773   -0.4301
+C   -2.0129   -0.6836    0.6439
+C   -2.2114    0.5722   -0.2416
+H    3.3100   -0.4048   -0.0256
+H    0.1409   -0.3437   -1.6655
+H   -0.9209   -2.0824   -0.6205
+H   -0.0914   -1.6754    0.9121
+H   -0.8161    1.5708   -1.3101
+H   -2.8421   -1.3797    0.5174
+H   -1.8997   -0.4032    1.6911
+H   -2.8243    1.3125    0.2726
+H   -2.6559    0.3014   -1.1993
Index: tests/Tesselations/putrescine.test
===================================================================
--- tests/Tesselations/putrescine.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/putrescine.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat
===================================================================
--- tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,42 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- N06_ H17_ H18", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+10.8857 5.9511 6.2964 1
+5.5257 8.9311 6.4164 1
+11.2585 6.5433 5.582 0
+11.1228 5 6.0984 0
+9.0552 5.4596 7.1069 1
+9.0368 5.8078 5.3891 1
+9.289 8.1152 5.7681 1
+9.6236 7.8638 7.4867 0
+7.4751 8.1171 7.9137 0
+7.1007 6.7291 6.8796 1
+6.8065 8.155 5 1
+7.4243 9.5405 5.8797 1
+5 8.0834 6.4872 0
+5.08 9.5464 5.7662 0
+
+3 4 6
+4 5 6
+3 6 7
+1 4 5
+5 6 10
+3 7 8
+6 7 11
+1 3 4
+1 5 8
+5 9 10
+6 10 11
+1 3 8
+7 8 12
+7 11 12
+5 8 9
+9 10 13
+10 11 13
+8 9 12
+11 12 14
+2 9 13
+11 13 14
+2 9 12
+2 12 14
+2 13 14
Index: tests/Tesselations/putrescine/putrescine.xyz
===================================================================
--- tests/Tesselations/putrescine/putrescine.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/putrescine/putrescine.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,20 @@
+18
+NCI NSC 60545 NSC60545 1,4-butanediamine
+N    0.0000    0.0000    0.0000
+C   -1.4400    0.1400    0.0400
+C   -1.8200    1.5800    0.3400
+C   -3.3200    1.7400    0.6400
+C   -4.0200    2.6800   -0.3400
+N   -5.3600    2.9800    0.1200
+H    0.3728    0.5922   -0.7144
+H    0.2371   -0.9511   -0.1980
+H   -1.8305   -0.4915    0.8105
+H   -1.8489   -0.1433   -0.9073
+H   -1.5967    2.1641   -0.5283
+H   -1.2621    1.9127    1.1903
+H   -3.4106    2.1660    1.6173
+H   -3.7850    0.7780    0.5832
+H   -4.0792    2.2039   -1.2964
+H   -3.4614    3.5894   -0.4167
+H   -5.8857    2.1323    0.1908
+H   -5.8057    3.5953   -0.5302
Index: tests/Tesselations/round_cluster.test
===================================================================
--- tests/Tesselations/round_cluster.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/round_cluster.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat
===================================================================
--- tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,1401 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- O633_ O960_ O1013", N=467, E=930, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+41.4883 31.1464 29.9646 2
+35.0153 37.6127 31.0313 4
+35.4614 38.2024 24.7455 4
+34.6818 38.0762 33.5449 1
+37.9286 37.6063 27.0612 3
+36.8205 33.7621 31.4256 4
+39.8903 35.1962 22.8664 2
+41.4136 31.937 22.4036 2
+39.618 33.2065 27.0116 3
+36.9059 28.9178 38.5127 1
+35.7764 32.1073 35.1494 4
+39.9252 27.9542 32.053 3
+39.693 27.0248 34.4735 2
+39.6522 29.4881 34.0519 3
+37.9042 31.4474 31.8991 4
+37.4986 29.5234 36.1559 4
+37.7507 32.575 29.4172 4
+32.2762 40.4952 33.0242 3
+28.8285 39.9757 35.8897 4
+34.8872 40.6664 29.5487 2
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Index: tests/Tesselations/round_cluster/round_cluster.dbond
===================================================================
--- tests/Tesselations/round_cluster/round_cluster.dbond	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/round_cluster/round_cluster.dbond	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
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+1130	3	
+1436	6	
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+1137	36	
+1137	2	
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+1130	1	
+1230	202	
+1186	202	
+1186	1110	
+1459	1110	
+1459	9	
+1427	20	
+1427	17	
+1427	0	
Index: tests/Tesselations/round_cluster/round_cluster.xyz
===================================================================
--- tests/Tesselations/round_cluster/round_cluster.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/round_cluster/round_cluster.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,1948 @@
+1946
+	Created by molecuilder on Tue Dec 16 19:27:37 2008
+O	40.4774	48.7176	75.721	
+O	34.0045	55.1839	76.7877	
+O	34.4506	55.7736	70.5019	
+O	33.6709	55.6474	79.3013	
+O	33.0546	53.34	78.4521	
+O	36.9178	55.1775	72.8176	
+O	35.8096	51.3333	77.182	
+O	38.8795	52.7674	68.6228	
+O	37.021	53.1694	70.554	
+O	40.4027	49.5082	68.16	
+O	36.8732	51.2471	68.9128	
+O	38.6072	50.7777	72.768	
+O	34.8369	51.1369	72.0499	
+O	35.895	46.489	84.2691	
+O	34.7656	49.6785	80.9058	
+O	33.8658	47.5167	79.7818	
+O	36.5306	45.6194	79.0273	
+O	38.9144	45.5254	77.8094	
+O	38.6822	44.596	80.2299	
+O	38.6414	47.0593	79.8083	
+O	36.8933	49.0186	77.6555	
+O	36.4878	47.0946	81.9123	
+O	36.7399	50.1462	75.1736	
+O	36.7678	46.8331	75.49	
+O	35.8394	45.6921	73.5224	
+O	33.8916	48.5595	72.9267	
+O	34.7005	49.1897	76.4451	
+O	35.6121	46.592	70.1131	
+O	37.5978	47.8068	68.8128	
+O	37.9045	45.2361	66.0727	
+O	31.2653	58.0664	78.7806	
+O	27.8177	57.5469	81.6461	
+O	33.8763	58.2376	75.3051	
+O	28.2951	58.4042	73.3507	
+O	29.4688	57.0331	71.6158	
+O	29.4353	57.3142	68.2565	
+O	33.0277	57.5978	69.3653	
+O	31.6096	58.168	72.5761	
+O	31.9635	56.0566	71.1617	
+O	28.7981	53.7799	80.9737	
+O	32.108	53.1768	81.4958	
+O	29.7378	50.2717	81.6297	
+O	32.5509	49.7908	79.5891	
+O	29.1792	52.4044	78.7817	
+O	31.6219	55.3601	77.7133	
+O	34.4437	53.1009	74.2105	
+O	31.5065	51.2323	76.489	
+O	30.4153	53.5658	74.6497	
+O	30.7897	55.9039	73.5409	
+O	29.3793	52.2553	70.6795	
+O	28.5987	54.4904	73.2351	
+O	31.4211	52.3634	67.3839	
+O	32.6435	55.134	68.7885	
+O	29.3849	54.77	68.3692	
+O	29.3977	47.2847	85.731	
+O	30.5343	49.6228	86.1896	
+O	33.4136	48.3625	85.0895	
+O	27.9856	49.2351	86.7298	
+O	31.4481	46.5776	79.4351	
+O	31.2734	46.3787	84.113	
+O	29.2349	46.4909	81.3793	
+O	28.879	45.5611	83.7693	
+O	30.1132	49.4674	77.7881	
+O	31.8356	46.0576	73.8644	
+O	34.9028	45.117	75.8671	
+O	29.0306	50.7146	75.8476	
+O	30.243	47.3952	68.0578	
+O	31.6831	44.3172	68.1024	
+O	29.6214	47.1898	72.9484	
+O	31.8575	49.8216	67.0828	
+O	34.1763	47.5964	68.1478	
+O	29.0341	45.8415	69.7941	
+O	32.9756	46.4323	70.1893	
+O	24.5078	57.6486	80.5327	
+O	23.6459	58.0472	82.9514	
+O	25.7669	59.621	78.1898	
+O	28.0851	60.2834	77.3078	
+O	27.5612	57.7855	77.84	
+O	24.8801	58.3927	73.2031	
+O	26.9276	56.6783	71.8068	
+O	26.107	56.9911	75.1553	
+O	29.1527	55.6225	75.5892	
+O	27.8505	54.6324	78.6579	
+O	25.1065	57.6099	70.441	
+O	25.8318	61.6758	71.8114	
+O	27.2165	61.0422	68.3638	
+O	25.5583	53.041	84.3238	
+O	28.1541	55.4446	84.1999	
+O	28.5172	51.6009	83.766	
+O	24.5406	55.2834	77.6309	
+O	23.2834	54.0145	80.5716	
+O	24.9056	52.3023	81.5185	
+O	25.8884	53.8427	75.1681	
+O	24.2655	55.9241	72.35	
+O	26.4138	51.4314	74.3642	
+O	25.791	51.9395	76.8693	
+O	24.5555	53.4638	67.3217	
+O	24.6599	52.627	69.7976	
+O	25.3372	53.4535	72.0922	
+O	25.0025	55.0601	69.9903	
+O	28.5208	49.0048	83.4262	
+O	25.2194	49.2394	84.8712	
+O	24.9119	45.0044	84.9944	
+O	26.8146	46.4019	82.5448	
+O	25.501	50.2955	79.917	
+O	24.6309	46.3863	80.4727	
+O	25.6355	46.182	78.0721	
+O	27.2669	47.9836	78.8302	
+O	24.5558	49.2653	82.3386	
+O	23.6251	49.2874	77.0096	
+O	25.8108	48.826	72.8663	
+O	26.4536	46.3774	72.5965	
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+O	19.7041	32.6583	60.072	
+O	19.2684	37.3822	59.1101	
+O	16.933	38.2483	59.1262	
+O	9.93	31.9254	76.58	
+O	11.8396	37.0878	81.5638	
+O	11.1208	35.7154	79.5221	
+O	6.27354	37.5332	77.0112	
+O	9.79438	35.4856	75.5875	
+O	8.84825	34.5316	72.814	
+O	12.0379	28.0171	74.6251	
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+O	10.9206	31.2693	73.4175	
+O	10.356	37.5158	74.231	
+O	12.0649	36.6701	75.9488	
+O	10.0649	37.9027	76.828	
+O	8.72766	37.9587	71.3898	
+O	12.391	34.5656	84.3303	
+O	11.5726	38.4168	84.8635	
+O	8.12568	42.2119	72.8327	
+O	7.70157	43.6557	76.8503	
+O	10.7284	26.6622	72.8469	
+O	11.5037	30.9448	70.8458	
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+O	16.0823	32.8875	69.2867	
+O	16.5193	30.9855	77.4682	
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+O	14.468	40.4572	71.823	
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+O	17.4185	40.3875	72.9455	
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+O	33.0887	44.2688	54.7925	
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+Si	21.6847	25.9751	79.8448	
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+Ca	13.7518	31.2898	74.7728	
+Ca	13.55	34.5993	75.2907	
+Ca	16.5337	28.8549	68.7871	
+Ca	15.2271	25.5781	74.3205	
+Ca	14.9018	28.9405	72.6488	
+Ca	18.0847	27.3387	73.8116	
+Ca	13.8093	26.9578	79.1106	
+Ca	13.5218	28.6101	76.4477	
+Ca	13.6146	27.3018	69.8881	
+Ca	11.6989	42.4639	83.0272	
+Ca	8.1993	41.3756	83.332	
+Ca	8.92914	44.286	81.3684	
+Ca	11.8363	43.1481	77.0088	
+Ca	5.48564	43.551	79.7069	
+Ca	10.2808	39.6623	81.3912	
+Ca	7.41421	36.9868	81.7592	
+Ca	12.5914	29.9724	79.4001	
+Ca	10.7518	32.9057	80.4837	
+Ca	20.2246	45.8861	63.9419	
+Ca	20.485	44.1305	60.7469	
+Ca	23.0757	41.8455	66.327	
+Ca	20.7211	40.4253	65.1782	
+Ca	19.9712	43.4757	55.7683	
+Ca	14.5132	45.9352	54.5417	
+Ca	21.514	38.7232	58.6974	
+Ca	17.5948	44.2383	52.5198	
+Ca	21.5727	40.5721	55.9173	
+Ca	22.7828	35.4869	53.0776	
+Ca	20.9454	38.3823	53.3924	
+Ca	18.4045	40.0043	56.1421	
+Ca	20.9017	44.5313	52.0937	
+Ca	22.0069	40.7899	61.4761	
+Ca	22.2893	42.8841	58.1184	
+Ca	15.6622	39.11	62.9348	
+Ca	13.8953	40.4364	65.4878	
+Ca	16.3106	45.5847	62.3492	
+Ca	16.542	45.0376	65.8643	
+Ca	18.374	43.0443	63.2861	
+Ca	15.9792	38.6468	67.97	
+Ca	17.221	40.3605	65.6585	
+Ca	21.7642	37.6477	64.3102	
+Ca	18.2604	37.2203	64.6327	
+Ca	23.2833	34.6512	62.2916	
+Ca	22.8988	35.5388	59.0178	
+Ca	18.3481	30.8496	65.9386	
+Ca	21.438	29.9082	65.8682	
+Ca	21.1681	29.6442	60.3627	
+Ca	18.9519	26.6101	61.1773	
+Ca	21.1048	24.703	66.3891	
+Ca	20.9369	26.9679	63.8926	
+Ca	15.8947	25.8337	67.5575	
+Ca	19.2538	24.2382	69.3125	
+Ca	21.6183	22.5712	71.247	
+Ca	17.5784	26.3765	64.41	
+Ca	21.2417	31.8814	63.1555	
+Ca	20.1804	36.2635	61.2485	
+Ca	8.92243	30.5749	78.4562	
+Ca	9.87625	34.5406	77.7725	
+Ca	10.4707	29.6318	75.1608	
+Ca	10.1833	33.4553	74.3584	
+Ca	8.16259	37.4801	78.4084	
+Ca	10.0891	40.2435	77.2353	
+Ca	11.0189	37.9311	71.9556	
+Ca	10.7138	36.292	84.2061	
+Ca	9.41191	42.4467	74.9965	
+Ca	15.1289	32.2263	71.214	
+Ca	14.8315	34.829	68.8505	
+Ca	17.966	33.6202	70.6303	
+Ca	16.4567	41.3902	71.0017	
+Ca	13.3467	42.6143	71.4016	
+Ca	14.3723	45.1265	68.9029	
+Ca	15.4444	41.3227	74.0151	
+Ca	14.2475	40.0996	76.8111	
+Ca	16.2368	42.0185	79.7558	
+Ca	13.1	44.3569	80.1908	
+Ca	16.3291	45.5245	79.5838	
+Ca	18.6529	24.5612	75.8922	
+Ca	22.1211	25.9468	76.0397	
+Ca	20.8489	32.8953	81.7237	
+Ca	21.6397	43.9443	68.7519	
+Ca	19.1948	41.2105	68.6934	
+Ca	21.8662	43.8919	77.37	
+Ca	10.7698	55.243	63.1773	
+Ca	10.4846	52.9812	66.2349	
+Ca	8.21238	50.4892	66.1524	
+Ca	15.897	48.5389	60.6125	
+Ca	11.5575	49.4519	65.592	
+Ca	14.9881	48.4701	66.7113	
+Ca	14.7785	50.6172	64.2366	
+Ca	17.5973	50.581	66.4473	
+Ca	18.3027	54.5164	59.4987	
+Ca	16.9853	51.5114	59.6979	
+Ca	21.468	46.7259	54.2492	
+Ca	21.9585	49.1428	58.4592	
+Ca	18.166	48.928	57.6153	
+Ca	19.6955	52.8226	65.4772	
+Ca	22.6278	54.667	65.8567	
+Ca	20.1231	54.1918	62.3145	
+Ca	20.5531	57.2667	62.4218	
+Ca	10.5098	49.1656	75.8753	
+Ca	15.4781	52.452	75.6796	
+Ca	13.25	54.8742	75.9684	
+Ca	16.3989	55.4511	77.3197	
+Ca	15.4723	57.2601	74.7748	
+Ca	16.8872	54.3449	73.5391	
+Ca	15.2886	59.2823	77.5297	
+Ca	20.8942	47.3945	83.6944	
+Ca	23.0474	50.7853	81.1381	
+Ca	22.7048	47.6101	81.0463	
+Ca	18.8601	54.9937	70.9553	
+Ca	21.1607	52.2116	71.4447	
+Ca	21.9062	52.1228	75.9923	
+Ca	18.7819	52.9706	76.5825	
+Ca	21.1861	52.8667	79.4907	
+Ca	21.863	56.0198	71.2695	
+Ca	21.9679	59.8572	70.3715	
+Ca	20.8856	59.5515	66.4942	
+Ca	21.7675	57.4732	74.8021	
+Ca	21.9716	55.9876	80.5498	
+Ca	20.6169	58.1362	78.2387	
+Ca	25.1693	28.6806	60.1183	
+Ca	22.2664	26.4382	60.3505	
+Ca	26.2122	23.9668	65.6776	
+Ca	29.068	29.3999	57.0944	
+Ca	27.1664	38.3315	52.2565	
+Ca	27.4356	34.6675	56.4298	
+Ca	27.5269	34.8937	52.8274	
+Ca	25.9149	42.9909	52.3844	
+Ca	25.2867	40.5628	54.4005	
+Ca	25.965	40.0233	60.8182	
+Ca	31.2594	26.8716	62.032	
+Ca	32.6142	30.0757	62.0532	
+Ca	30.6111	31.0424	67.977	
+Ca	31.894	27.8151	67.4109	
+Ca	33.1074	31.1281	65.9435	
+Ca	29.8762	32.2488	63.4098	
+Ca	30.224	36.012	54.6496	
+Ca	29.4289	44.4293	57.1097	
+Ca	31.0318	41.5595	57.8959	
+Ca	31.6173	41.559	61.2083	
+Ca	32.9363	44.092	59.2896	
+Ca	30.2566	41.4574	65.3986	
+Ca	38.2734	42.4139	63.577	
+Ca	25.6609	31.0429	74.8378	
+Ca	26.0923	30.6346	78.7859	
+Ca	24.9125	29.9544	82.8944	
+Ca	29.47	42.2729	72.2096	
+Ca	26.4511	42.9684	80.8347	
+Ca	27.0548	43.3808	84.2374	
+Ca	30.0629	30.8504	79.6042	
+Ca	31.1279	32.8138	82.4223	
+Ca	30.4668	37.2887	85.1551	
+Ca	32.142	40.2442	83.8245	
+Ca	29.7106	42.2346	82.2089	
+Ca	29.6192	44.7241	79.6102	
+Ca	31.609	42.3957	78.5789	
+Ca	26.4415	51.7334	53.3581	
+Ca	25.2896	49.1531	60.3738	
+Ca	26.797	53.9952	65.884	
+Ca	24.1946	51.3608	65.7542	
+Ca	26.5427	58.183	62.5258	
+Ca	34.8064	46.5649	57.7507	
+Ca	26.8695	49.395	68.4447	
+Ca	27.4199	53.605	82.9883	
+Ca	25.9863	56.7939	83.1981	
+Ca	26.1676	56.2122	79.9004	
+Ca	25.9353	59.9378	70.0846	
+Ca	25.1412	61.2401	76.6805	
+Ca	27.3819	60.7367	73.3994	
+Ca	31.6817	48.7588	69.379	
+Ca	30.9144	49.2014	72.8884	
+Ca	35.1268	47.0478	77.5604	
+Ca	31.5638	46.1633	81.7835	
+Ca	31.3174	48.9391	83.717	
+Ca	31.1648	53.6322	70.0161	
+Ca	28.5245	57.9901	75.532	
+Ca	32.0101	56.7985	75.5576	
+Ca	30.6841	59.9648	74.0382	
+Ca	36.2817	48.3258	73.5506	
+Ca	36.9012	50.581	71.1412	
+Ca	34.9028	45.516	80.7232	
Index: tests/Tesselations/tartaric_acid.test
===================================================================
--- tests/Tesselations/tartaric_acid.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/tartaric_acid.test	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat
===================================================================
--- tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,42 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="0- C05_ O09_ H12", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+10.156 6.9295 6.2926 4
+8.5078 5.7627 5 1
+6.3532 6.9295 6.4864 3
+8.0014 5.7627 7.7789 1
+10.8994 6.0233 5.999 2
+10.5968 7.9362 7.0633 1
+5.6099 6.0233 6.78 2
+5.9124 7.9362 5.7157 1
+8.5615 7.8195 5.1883 2
+7.9477 7.8194 7.5908 2
+8.6709 5 5.5717 0
+7.8384 5 7.2073 0
+11.5092 7.9362 7.3836 1
+5 7.9362 5.3955 0
+
+1 5 13
+1 5 9
+1 6 13
+1 6 9
+2 5 9
+6 10 13
+6 9 10
+2 5 11
+2 9 14
+4 10 13
+8 9 10
+2 7 11
+5 11 12
+2 7 14
+8 9 14
+4 7 10
+4 5 13
+3 8 10
+7 11 12
+4 5 12
+3 7 14
+3 8 14
+4 7 12
+3 7 10
Index: tests/Tesselations/tartaric_acid/tartaric_acid.xyz
===================================================================
--- tests/Tesselations/tartaric_acid/tartaric_acid.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
+++ tests/Tesselations/tartaric_acid/tartaric_acid.xyz	(revision 36eb4ebc0db2e162c7d409c1ec3619d38d3901ef)
@@ -0,0 +1,18 @@
+16
+NCI NSC 148314 Uvic acid
+C    0.4795    0.2278   -0.5961
+C   -0.4795    0.2278    0.5961
+C    1.9014    0.2278   -0.0969
+O    0.2532   -0.9390   -1.3895
+C   -1.9014    0.2278    0.0969
+O   -0.2532   -0.9390    1.3894
+O    2.6448   -0.6784   -0.3905
+O    2.3422    1.2345    0.6738
+O   -2.6447   -0.6784    0.3905
+O   -2.3422    1.2345   -0.6738
+H    0.3069    1.1178   -1.2012
+H   -0.3069    1.1177    1.2013
+H    0.4163   -1.7017   -0.8178
+H   -0.4162   -1.7017    0.8178
+H    3.2546    1.2345    0.9941
+H   -3.2546    1.2345   -0.9940
