Index: tests/regression/Tesselation/3/post/NonConvexEnvelope.dat
===================================================================
--- tests/regression/Tesselation/3/post/NonConvexEnvelope.dat	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
+++ tests/regression/Tesselation/3/post/NonConvexEnvelope.dat	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
@@ -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
+6.9077 1.1106 0.1214 1
+0.3612 -3.628 1.323 1
+0.4884 -3.5983 -0.4521 3
+1.4985 -2.5112 0.5308 4
+-1.9534 -3.5752 0.5362 2
+-1.1883 -0.199 1.5176 3
+-0.7165 -1.6046 2.5129 1
+1.7627 -1.4479 -0.8349 4
+-1.003 -1.3584 -2.8848 2
+0.0217 -2.6629 -2.2008 1
+-2.8885 -1.5706 1.7543 2
+-2.0579 -3.6765 -1.7622 0
+-2.9259 -2.1146 -1.7672 1
+1.0353 0.1785 2.542 3
+1.6325 -1.3323 1.8306 2
+0.7271 1.177 0.3594 3
+1.3374 -0.2942 -2.961 2
+0.6036 1.0859 -2.1126 3
+-3.2034 -0.5041 -1.0881 3
+-5.1809 -1.8679 0.9687 1
+-4.6025 -2.4721 -0.6025 2
+-4.3385 -3.4329 0.8725 0
+3.191 1.3217 -2.8354 1
+-4.0905 0.6312 1.6028 3
+2.8131 1.4776 2.5103 0
+3.9137 2.2936 1.3739 0
+2.159 2.5738 1.2698 2
+3.6606 -0.4593 2.1396 2
+3.2007 -1.4419 0.7311 4
+-3.3002 2.3589 0.0094 5
+-4.377 1.6962 -1.2433 3
+5.2593 1.4547 -1.7445 0
+4.6863 2.7674 -0.6775 0
+5.746 -0.9031 1.204 0
+5.1212 -0.8867 -0.4582 4
+-5.2641 2.8314 1.4476 0
+5.2727 1.6068 1.2828 2
+-6.2394 4.6427 0.0632 0
+-4.4738 4.5591 -0.1458 1
+-5.5506 3.8964 -1.3985 0
+-6.7081 0.9923 0.6224 2
+-7.5442 2.5597 0.5118 0
+-6.8554 1.8134 -0.9499 1
+7.1391 2.0447 0.0264 0
+
+1 32 44
+1 32 35
+32 33 44
+1 34 35
+23 32 35
+23 32 33
+26 33 44
+1 34 37
+29 34 35
+17 23 35
+18 23 33
+26 27 33
+26 37 44
+1 37 44
+28 34 37
+28 29 34
+4 29 35
+17 18 23
+8 17 35
+18 27 33
+25 26 27
+25 26 37
+25 28 37
+15 28 29
+2 4 29
+3 4 35
+9 17 18
+8 10 17
+3 8 35
+16 18 27
+14 25 27
+14 25 28
+14 15 28
+2 15 29
+2 3 4
+9 10 17
+9 18 31
+3 8 10
+16 18 30
+16 27 30
+14 27 30
+7 14 15
+2 7 15
+2 3 5
+9 10 12
+9 19 31
+18 30 31
+3 10 12
+6 14 30
+6 7 14
+2 5 7
+3 5 12
+9 12 13
+9 13 19
+13 19 31
+30 31 39
+6 24 30
+6 7 24
+5 7 11
+5 12 22
+12 13 21
+13 21 31
+27 30 39
+31 39 40
+24 30 36
+7 11 24
+5 11 22
+12 21 22
+21 31 43
+31 40 43
+40 42 43
+41 42 43
+21 41 43
+20 21 41
+20 24 41
+24 36 41
+36 41 42
+36 38 42
+38 40 42
+38 39 40
+36 38 39
+30 36 39
+27 30 39
+11 20 24
+11 20 22
+20 21 22
Index: tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d
===================================================================
--- tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
+++ tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
@@ -0,0 +1,337 @@
+# Raster3D object description, created by MoleCuilder
+@header.r3d
+# All atoms as spheres
+2
+  0.952534 -3.05798 0.420171 	0.1	1. 1. 1.
+2
+  -0.139866 -1.98848 0.359771 	0.1	1. 1. 1.
+2
+  0.0788342 -1.07508 -0.875229 	0.1	1. 1. 1.
+2
+  -1.49147 -2.63828 0.0780712 	0.1	1. 1. 1.
+2
+  -0.0588658 -1.09478 1.58347 	0.1	1. 1. 1.
+2
+  1.53473 -0.644479 -0.868129 	0.1	1. 1. 1.
+2
+  -0.333166 -2.00128 -2.02443 	0.1	1. 1. 1.
+2
+  -2.62147 -1.78218 0.653571 	0.1	1. 1. 1.
+2
+  -1.60077 -2.70398 -1.46563 	0.1	1. 1. 1.
+2
+  1.37913 -0.560579 1.65607 	0.1	1. 1. 1.
+2
+  1.75933 0.205421 0.395371 	0.1	1. 1. 1.
+2
+  1.79893 0.246421 -2.08883 	0.1	1. 1. 1.
+2
+  -2.64037 -0.423279 -0.0491288 	0.1	1. 1. 1.
+2
+  -3.96017 -2.48928 0.432671 	0.1	1. 1. 1.
+2
+  3.23013 0.593821 0.484471 	0.1	1. 1. 1.
+2
+  3.14803 0.889821 -1.96833 	0.1	1. 1. 1.
+2
+  -3.79507 0.418021 0.498371 	0.1	1. 1. 1.
+2
+  3.36023 1.76962 1.45487 	0.1	1. 1. 1.
+2
+  3.78273 1.01752 -0.849429 	0.1	1. 1. 1.
+2
+  4.07093 -0.563879 1.01767 	0.1	1. 1. 1.
+2
+  -3.81397 1.77692 -0.204329 	0.1	1. 1. 1.
+2
+  5.17783 1.62112 -0.842829 	0.1	1. 1. 1.
+2
+  5.49863 -0.464179 0.482071 	0.1	1. 1. 1.
+2
+  -4.96867 2.61822 0.343171 	0.1	1. 1. 1.
+2
+  5.93083 0.990421 0.337371 	0.1	1. 1. 1.
+2
+  -4.98757 3.97722 -0.359529 	0.1	1. 1. 1.
+2
+  -6.29237 1.89422 0.0890712 	0.1	1. 1. 1.
+2
+  7.33693 1.04442 0.0886712 	0.1	1. 1. 1.
+2
+  0.790434 -3.69418 1.29027 	0.1	1. 1. 1.
+2
+  0.917634 -3.66448 -0.484829 	0.1	1. 1. 1.
+2
+  1.92773 -2.57738 0.498071 	0.1	1. 1. 1.
+2
+  -0.574266 -0.203779 -0.824729 	0.1	1. 1. 1.
+2
+  -1.52417 -3.64138 0.503471 	0.1	1. 1. 1.
+2
+  -0.759066 -0.265179 1.48487 	0.1	1. 1. 1.
+2
+  -0.287266 -1.67078 2.48017 	0.1	1. 1. 1.
+2
+  2.19193 -1.51408 -0.867629 	0.1	1. 1. 1.
+2
+  -0.573766 -1.42458 -2.91753 	0.1	1. 1. 1.
+2
+  0.450934 -2.72908 -2.23353 	0.1	1. 1. 1.
+2
+  -2.45927 -1.63678 1.72157 	0.1	1. 1. 1.
+2
+  -1.62867 -3.74268 -1.79493 	0.1	1. 1. 1.
+2
+  -2.49667 -2.18078 -1.79993 	0.1	1. 1. 1.
+2
+  1.46453 0.112321 2.50927 	0.1	1. 1. 1.
+2
+  2.06173 -1.39848 1.79787 	0.1	1. 1. 1.
+2
+  1.15633 1.11082 0.326671 	0.1	1. 1. 1.
+2
+  1.76663 -0.360379 -2.99373 	0.1	1. 1. 1.
+2
+  1.03283 1.01972 -2.14533 	0.1	1. 1. 1.
+2
+  -1.69727 0.0925205 0.131971 	0.1	1. 1. 1.
+2
+  -2.77417 -0.570279 -1.12083 	0.1	1. 1. 1.
+2
+  -4.75167 -1.93408 0.935971 	0.1	1. 1. 1.
+2
+  -4.17327 -2.53828 -0.635229 	0.1	1. 1. 1.
+2
+  -3.90927 -3.49908 0.839771 	0.1	1. 1. 1.
+2
+  3.62023 1.25552 -2.86813 	0.1	1. 1. 1.
+2
+  -4.73807 -0.0977795 0.317371 	0.1	1. 1. 1.
+2
+  -3.66127 0.565021 1.57007 	0.1	1. 1. 1.
+2
+  3.24233 1.41142 2.47757 	0.1	1. 1. 1.
+2
+  4.34293 2.22742 1.34117 	0.1	1. 1. 1.
+2
+  2.58823 2.50762 1.23707 	0.1	1. 1. 1.
+2
+  4.08983 -0.525479 2.10687 	0.1	1. 1. 1.
+2
+  3.62993 -1.50808 0.698371 	0.1	1. 1. 1.
+2
+  -2.87097 2.29272 -0.0233288 	0.1	1. 1. 1.
+2
+  -3.94777 1.63002 -1.27603 	0.1	1. 1. 1.
+2
+  5.68853 1.38852 -1.77723 	0.1	1. 1. 1.
+2
+  5.11553 2.70122 -0.710229 	0.1	1. 1. 1.
+2
+  6.17523 -0.969279 1.17127 	0.1	1. 1. 1.
+2
+  5.55043 -0.952879 -0.490929 	0.1	1. 1. 1.
+2
+  -4.83487 2.76522 1.41487 	0.1	1. 1. 1.
+2
+  5.70193 1.54062 1.25007 	0.1	1. 1. 1.
+2
+  -5.81017 4.57652 0.0304712 	0.1	1. 1. 1.
+2
+  -4.04457 4.49292 -0.178529 	0.1	1. 1. 1.
+2
+  -5.12137 3.83022 -1.43123 	0.1	1. 1. 1.
+2
+  -6.27887 0.926121 0.589671 	0.1	1. 1. 1.
+2
+  -7.11497 2.49352 0.479071 	0.1	1. 1. 1.
+2
+  -6.42617 1.74722 -0.982629 	0.1	1. 1. 1.
+2
+  7.56833 1.97852 -0.00632877 	0.1	1. 1. 1.
+# All tesselation triangles
+8
+  25. -1.   1. 1. 1.   0.0    0 0 0 2
+  SOLID     1.0 0.0 0.0
+  BACKFACE  0.3 0.3 1.0   0 0
+1
+  7.33693 1.04442 0.0886712 	5.68853 1.38852 -1.77723 	7.56833 1.97852 -0.00632877 	1. 0. 0.
+1
+  7.33693 1.04442 0.0886712 	5.68853 1.38852 -1.77723 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  5.68853 1.38852 -1.77723 	5.11553 2.70122 -0.710229 	7.56833 1.97852 -0.00632877 	1. 0. 0.
+1
+  7.33693 1.04442 0.0886712 	6.17523 -0.969279 1.17127 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  3.62023 1.25552 -2.86813 	5.68853 1.38852 -1.77723 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  3.62023 1.25552 -2.86813 	5.68853 1.38852 -1.77723 	5.11553 2.70122 -0.710229 	1. 0. 0.
+1
+  4.34293 2.22742 1.34117 	5.11553 2.70122 -0.710229 	7.56833 1.97852 -0.00632877 	1. 0. 0.
+1
+  7.33693 1.04442 0.0886712 	6.17523 -0.969279 1.17127 	5.70193 1.54062 1.25007 	1. 0. 0.
+1
+  3.62993 -1.50808 0.698371 	6.17523 -0.969279 1.17127 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  1.76663 -0.360379 -2.99373 	3.62023 1.25552 -2.86813 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  1.03283 1.01972 -2.14533 	3.62023 1.25552 -2.86813 	5.11553 2.70122 -0.710229 	1. 0. 0.
+1
+  4.34293 2.22742 1.34117 	2.58823 2.50762 1.23707 	5.11553 2.70122 -0.710229 	1. 0. 0.
+1
+  4.34293 2.22742 1.34117 	5.70193 1.54062 1.25007 	7.56833 1.97852 -0.00632877 	1. 0. 0.
+1
+  7.33693 1.04442 0.0886712 	5.70193 1.54062 1.25007 	7.56833 1.97852 -0.00632877 	1. 0. 0.
+1
+  4.08983 -0.525479 2.10687 	6.17523 -0.969279 1.17127 	5.70193 1.54062 1.25007 	1. 0. 0.
+1
+  4.08983 -0.525479 2.10687 	3.62993 -1.50808 0.698371 	6.17523 -0.969279 1.17127 	1. 0. 0.
+1
+  1.92773 -2.57738 0.498071 	3.62993 -1.50808 0.698371 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  1.76663 -0.360379 -2.99373 	1.03283 1.01972 -2.14533 	3.62023 1.25552 -2.86813 	1. 0. 0.
+1
+  2.19193 -1.51408 -0.867629 	1.76663 -0.360379 -2.99373 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  1.03283 1.01972 -2.14533 	2.58823 2.50762 1.23707 	5.11553 2.70122 -0.710229 	1. 0. 0.
+1
+  3.24233 1.41142 2.47757 	4.34293 2.22742 1.34117 	2.58823 2.50762 1.23707 	1. 0. 0.
+1
+  3.24233 1.41142 2.47757 	4.34293 2.22742 1.34117 	5.70193 1.54062 1.25007 	1. 0. 0.
+1
+  3.24233 1.41142 2.47757 	4.08983 -0.525479 2.10687 	5.70193 1.54062 1.25007 	1. 0. 0.
+1
+  2.06173 -1.39848 1.79787 	4.08983 -0.525479 2.10687 	3.62993 -1.50808 0.698371 	1. 0. 0.
+1
+  0.790434 -3.69418 1.29027 	1.92773 -2.57738 0.498071 	3.62993 -1.50808 0.698371 	1. 0. 0.
+1
+  0.917634 -3.66448 -0.484829 	1.92773 -2.57738 0.498071 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  -0.573766 -1.42458 -2.91753 	1.76663 -0.360379 -2.99373 	1.03283 1.01972 -2.14533 	1. 0. 0.
+1
+  2.19193 -1.51408 -0.867629 	0.450934 -2.72908 -2.23353 	1.76663 -0.360379 -2.99373 	1. 0. 0.
+1
+  0.917634 -3.66448 -0.484829 	2.19193 -1.51408 -0.867629 	5.55043 -0.952879 -0.490929 	1. 0. 0.
+1
+  1.15633 1.11082 0.326671 	1.03283 1.01972 -2.14533 	2.58823 2.50762 1.23707 	1. 0. 0.
+1
+  1.46453 0.112321 2.50927 	3.24233 1.41142 2.47757 	2.58823 2.50762 1.23707 	1. 0. 0.
+1
+  1.46453 0.112321 2.50927 	3.24233 1.41142 2.47757 	4.08983 -0.525479 2.10687 	1. 0. 0.
+1
+  1.46453 0.112321 2.50927 	2.06173 -1.39848 1.79787 	4.08983 -0.525479 2.10687 	1. 0. 0.
+1
+  0.790434 -3.69418 1.29027 	2.06173 -1.39848 1.79787 	3.62993 -1.50808 0.698371 	1. 0. 0.
+1
+  0.790434 -3.69418 1.29027 	0.917634 -3.66448 -0.484829 	1.92773 -2.57738 0.498071 	1. 0. 0.
+1
+  -0.573766 -1.42458 -2.91753 	0.450934 -2.72908 -2.23353 	1.76663 -0.360379 -2.99373 	1. 0. 0.
+1
+  -0.573766 -1.42458 -2.91753 	1.03283 1.01972 -2.14533 	-3.94777 1.63002 -1.27603 	1. 0. 0.
+1
+  0.917634 -3.66448 -0.484829 	2.19193 -1.51408 -0.867629 	0.450934 -2.72908 -2.23353 	1. 0. 0.
+1
+  1.15633 1.11082 0.326671 	1.03283 1.01972 -2.14533 	-2.87097 2.29272 -0.0233288 	1. 0. 0.
+1
+  1.15633 1.11082 0.326671 	2.58823 2.50762 1.23707 	-2.87097 2.29272 -0.0233288 	1. 0. 0.
+1
+  1.46453 0.112321 2.50927 	2.58823 2.50762 1.23707 	-2.87097 2.29272 -0.0233288 	1. 0. 0.
+1
+  -0.287266 -1.67078 2.48017 	1.46453 0.112321 2.50927 	2.06173 -1.39848 1.79787 	1. 0. 0.
+1
+  0.790434 -3.69418 1.29027 	-0.287266 -1.67078 2.48017 	2.06173 -1.39848 1.79787 	1. 0. 0.
+1
+  0.790434 -3.69418 1.29027 	0.917634 -3.66448 -0.484829 	-1.52417 -3.64138 0.503471 	1. 0. 0.
+1
+  -0.573766 -1.42458 -2.91753 	0.450934 -2.72908 -2.23353 	-1.62867 -3.74268 -1.79493 	1. 0. 0.
+1
+  -0.573766 -1.42458 -2.91753 	-2.77417 -0.570279 -1.12083 	-3.94777 1.63002 -1.27603 	1. 0. 0.
+1
+  1.03283 1.01972 -2.14533 	-2.87097 2.29272 -0.0233288 	-3.94777 1.63002 -1.27603 	1. 0. 0.
+1
+  0.917634 -3.66448 -0.484829 	0.450934 -2.72908 -2.23353 	-1.62867 -3.74268 -1.79493 	1. 0. 0.
+1
+  -0.759066 -0.265179 1.48487 	1.46453 0.112321 2.50927 	-2.87097 2.29272 -0.0233288 	1. 0. 0.
+1
+  -0.759066 -0.265179 1.48487 	-0.287266 -1.67078 2.48017 	1.46453 0.112321 2.50927 	1. 0. 0.
+1
+  0.790434 -3.69418 1.29027 	-1.52417 -3.64138 0.503471 	-0.287266 -1.67078 2.48017 	1. 0. 0.
+1
+  0.917634 -3.66448 -0.484829 	-1.52417 -3.64138 0.503471 	-1.62867 -3.74268 -1.79493 	1. 0. 0.
+1
+  -0.573766 -1.42458 -2.91753 	-1.62867 -3.74268 -1.79493 	-2.49667 -2.18078 -1.79993 	1. 0. 0.
+1
+  -0.573766 -1.42458 -2.91753 	-2.49667 -2.18078 -1.79993 	-2.77417 -0.570279 -1.12083 	1. 0. 0.
+1
+  -2.49667 -2.18078 -1.79993 	-2.77417 -0.570279 -1.12083 	-3.94777 1.63002 -1.27603 	1. 0. 0.
+1
+  -2.87097 2.29272 -0.0233288 	-3.94777 1.63002 -1.27603 	-4.04457 4.49292 -0.178529 	1. 0. 0.
+1
+  -0.759066 -0.265179 1.48487 	-3.66127 0.565021 1.57007 	-2.87097 2.29272 -0.0233288 	1. 0. 0.
+1
+  -0.759066 -0.265179 1.48487 	-0.287266 -1.67078 2.48017 	-3.66127 0.565021 1.57007 	1. 0. 0.
+1
+  -1.52417 -3.64138 0.503471 	-0.287266 -1.67078 2.48017 	-2.45927 -1.63678 1.72157 	1. 0. 0.
+1
+  -1.52417 -3.64138 0.503471 	-1.62867 -3.74268 -1.79493 	-3.90927 -3.49908 0.839771 	1. 0. 0.
+1
+  -1.62867 -3.74268 -1.79493 	-2.49667 -2.18078 -1.79993 	-4.17327 -2.53828 -0.635229 	1. 0. 0.
+1
+  -2.49667 -2.18078 -1.79993 	-4.17327 -2.53828 -0.635229 	-3.94777 1.63002 -1.27603 	1. 0. 0.
+1
+  2.58823 2.50762 1.23707 	-2.87097 2.29272 -0.0233288 	-4.04457 4.49292 -0.178529 	1. 0. 0.
+1
+  -3.94777 1.63002 -1.27603 	-4.04457 4.49292 -0.178529 	-5.12137 3.83022 -1.43123 	1. 0. 0.
+1
+  -3.66127 0.565021 1.57007 	-2.87097 2.29272 -0.0233288 	-4.83487 2.76522 1.41487 	1. 0. 0.
+1
+  -0.287266 -1.67078 2.48017 	-2.45927 -1.63678 1.72157 	-3.66127 0.565021 1.57007 	1. 0. 0.
+1
+  -1.52417 -3.64138 0.503471 	-2.45927 -1.63678 1.72157 	-3.90927 -3.49908 0.839771 	1. 0. 0.
+1
+  -1.62867 -3.74268 -1.79493 	-4.17327 -2.53828 -0.635229 	-3.90927 -3.49908 0.839771 	1. 0. 0.
+1
+  -4.17327 -2.53828 -0.635229 	-3.94777 1.63002 -1.27603 	-6.42617 1.74722 -0.982629 	1. 0. 0.
+1
+  -3.94777 1.63002 -1.27603 	-5.12137 3.83022 -1.43123 	-6.42617 1.74722 -0.982629 	1. 0. 0.
+1
+  -5.12137 3.83022 -1.43123 	-7.11497 2.49352 0.479071 	-6.42617 1.74722 -0.982629 	1. 0. 0.
+1
+  -6.27887 0.926121 0.589671 	-7.11497 2.49352 0.479071 	-6.42617 1.74722 -0.982629 	1. 0. 0.
+1
+  -4.17327 -2.53828 -0.635229 	-6.27887 0.926121 0.589671 	-6.42617 1.74722 -0.982629 	1. 0. 0.
+1
+  -4.75167 -1.93408 0.935971 	-4.17327 -2.53828 -0.635229 	-6.27887 0.926121 0.589671 	1. 0. 0.
+1
+  -4.75167 -1.93408 0.935971 	-3.66127 0.565021 1.57007 	-6.27887 0.926121 0.589671 	1. 0. 0.
+1
+  -3.66127 0.565021 1.57007 	-4.83487 2.76522 1.41487 	-6.27887 0.926121 0.589671 	1. 0. 0.
+1
+  -4.83487 2.76522 1.41487 	-6.27887 0.926121 0.589671 	-7.11497 2.49352 0.479071 	1. 0. 0.
+1
+  -4.83487 2.76522 1.41487 	-5.81017 4.57652 0.0304712 	-7.11497 2.49352 0.479071 	1. 0. 0.
+1
+  -5.81017 4.57652 0.0304712 	-5.12137 3.83022 -1.43123 	-7.11497 2.49352 0.479071 	1. 0. 0.
+1
+  -5.81017 4.57652 0.0304712 	-4.04457 4.49292 -0.178529 	-5.12137 3.83022 -1.43123 	1. 0. 0.
+1
+  -4.83487 2.76522 1.41487 	-5.81017 4.57652 0.0304712 	-4.04457 4.49292 -0.178529 	1. 0. 0.
+1
+  -2.87097 2.29272 -0.0233288 	-4.83487 2.76522 1.41487 	-4.04457 4.49292 -0.178529 	1. 0. 0.
+1
+  2.58823 2.50762 1.23707 	-2.87097 2.29272 -0.0233288 	-4.04457 4.49292 -0.178529 	1. 0. 0.
+1
+  -2.45927 -1.63678 1.72157 	-4.75167 -1.93408 0.935971 	-3.66127 0.565021 1.57007 	1. 0. 0.
+1
+  -2.45927 -1.63678 1.72157 	-4.75167 -1.93408 0.935971 	-3.90927 -3.49908 0.839771 	1. 0. 0.
+1
+  -4.75167 -1.93408 0.935971 	-4.17327 -2.53828 -0.635229 	-3.90927 -3.49908 0.839771 	1. 0. 0.
+9
+#  terminating special property
+# current virtual sphere
+8
+  25.0    0.6     -1.0 -1.0 -1.0     0.2        0 0 0 0
+2
+  -4.27807 -2.65715 0.380171	5	1 0 0
+9
+  terminating special property
Index: tests/regression/Tesselation/3/post/tecplot.phy
===================================================================
--- tests/regression/Tesselation/3/post/tecplot.phy	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
+++ tests/regression/Tesselation/3/post/tecplot.phy	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
@@ -0,0 +1,7 @@
+#!PHY 700
+800 600 3.8929440389294406e+01 3.8585209003215432e+01 401
+
+
+
+
+
Index: tests/regression/Tesselation/3/post/test.conf
===================================================================
--- tests/regression/Tesselation/3/post/test.conf	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
+++ tests/regression/Tesselation/3/post/test.conf	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
@@ -0,0 +1,147 @@
+# ParallelCarParinello - main configuration file - created with molecuilder
+
+mainname	pcp	# programm name (for runtime files)
+defaultpath	not specified	# where to put files during runtime
+pseudopotpath	not specified	# where to find pseudopotentials
+
+ProcPEGamma	8	# for parallel computing: share constants
+ProcPEPsi	1	# for parallel computing: share wave functions
+DoOutVis	0	# Output data for OpenDX
+DoOutMes	1	# Output data for measurements
+DoOutOrbitals	0	# Output all Orbitals
+DoOutCurr	0	# Ouput current density for OpenDx
+DoOutNICS	0	# Output Nucleus independent current shieldings
+DoPerturbation	0	# Do perturbation calculate and determine susceptibility and shielding
+DoFullCurrent	0	# Do full perturbation
+DoConstrainedMD	0	# Do perform a constrained (>0, relating to current MD step) instead of unconstrained (0) MD
+Thermostat	Berendsen	2.5	# Which Thermostat and its parameters to use in MD case.
+CommonWannier	0	# Put virtual centers at indivual orbits, all common, merged by variance, to grid point, to cell center
+SawtoothStart	0.01	# Absolute value for smooth transition at cell border 
+VectorPlane	0	# Cut plane axis (x, y or z: 0,1,2) for two-dim current vector plot
+VectorCut	0	# Cut plane axis value
+AddGramSch	1	# Additional GramSchmidtOrtogonalization to be safe
+Seed		1	# initial value for random seed for Psi coefficients
+
+MaxOuterStep	0	# number of MolecularDynamics/Structure optimization steps
+Deltat	0.01	# time per MD step
+OutVisStep	10	# Output visual data every ...th step
+OutSrcStep	5	# Output "restart" data every ..th step
+TargetTemp	0.000950045	# Target temperature
+MaxPsiStep	0	# number of Minimisation steps per state (0 - default)
+EpsWannier	1e-07	# tolerance value for spread minimisation of orbitals
+
+# Values specifying when to stop
+MaxMinStep	100	# Maximum number of steps
+RelEpsTotalE	1e-07	# relative change in total energy
+RelEpsKineticE	1e-05	# relative change in kinetic energy
+MaxMinStopStep	0	# check every ..th steps
+MaxMinGapStopStep	0	# check every ..th steps
+
+# Values specifying when to stop for INIT, otherwise same as above
+MaxInitMinStep	100	# Maximum number of steps
+InitRelEpsTotalE	1e-05	# relative change in total energy
+InitRelEpsKineticE	0.0001	# relative change in kinetic energy
+InitMaxMinStopStep	0	# check every ..th steps
+InitMaxMinGapStopStep	0	# check every ..th steps
+
+BoxLength			# (Length of a unit cell)
+20	
+0	20	
+0	0	20	
+
+ECut		128	# energy cutoff for discretization in Hartrees
+MaxLevel	5	# number of different levels in the code, >=2
+Level0Factor	2	# factor by which node number increases from S to 0 level
+RiemannTensor	0	# (Use metric)
+PsiType		0	# 0 - doubly occupied, 1 - SpinUp,SpinDown
+MaxPsiDouble	0	# here: specifying both maximum number of SpinUp- and -Down-states
+PsiMaxNoUp	0	# here: specifying maximum number of SpinUp-states
+PsiMaxNoDown	0	# here: specifying maximum number of SpinDown-states
+AddPsis		0	# Additional unoccupied Psis for bandgap determination
+
+RCut		20	# R-cut for the ewald summation
+StructOpt	0	# Do structure optimization beforehand
+IsAngstroem	1	# 0 - Bohr, 1 - Angstroem
+RelativeCoord	0	# whether ion coordinates are relative (1) or absolute (0)
+MaxTypes	3	# maximum number of different ion types
+
+# Ion type data (PP = PseudoPotential, Z = atomic number)
+#Ion_TypeNr.	Amount	Z	RGauss	L_Max(PP)L_Loc(PP)IonMass	# chemical name, symbol
+Ion_Type1	46	1	1.0	3	3	1.00800000000	Hydrogen	H
+Ion_Type2	27	6	1.0	3	3	12.01100000000	Carbon	C
+Ion_Type3	1	8	1.0	3	3	15.99900000000	Oxygen	O
+#Ion_TypeNr._Nr.R[0]    R[1]    R[2]    MoveType (0 MoveIon, 1 FixedIon)
+Ion_Type2_1	0.523300000	-2.991800000	0.452900000	0 # molecule nr 0
+Ion_Type2_2	-0.569100000	-1.922300000	0.392500000	0 # molecule nr 1
+Ion_Type2_3	-0.350400000	-1.008900000	-0.842500000	0 # molecule nr 2
+Ion_Type2_4	-1.920700000	-2.572100000	0.110800000	0 # molecule nr 3
+Ion_Type2_5	-0.488100000	-1.028600000	1.616200000	0 # molecule nr 4
+Ion_Type2_6	1.105500000	-0.578300000	-0.835400000	0 # molecule nr 5
+Ion_Type2_7	-0.762400000	-1.935100000	-1.991700000	0 # molecule nr 6
+Ion_Type2_8	-3.050700000	-1.716000000	0.686300000	0 # molecule nr 7
+Ion_Type2_9	-2.030000000	-2.637800000	-1.432900000	0 # molecule nr 8
+Ion_Type2_10	0.949900000	-0.494400000	1.688800000	0 # molecule nr 9
+Ion_Type2_11	1.330100000	0.271600000	0.428100000	0 # molecule nr 10
+Ion_Type2_12	1.369700000	0.312600000	-2.056100000	0 # molecule nr 11
+Ion_Type2_13	-3.069600000	-0.357100000	-0.016400000	0 # molecule nr 12
+Ion_Type2_14	-4.389400000	-2.423100000	0.465400000	0 # molecule nr 13
+Ion_Type2_15	2.800900000	0.660000000	0.517200000	0 # molecule nr 14
+Ion_Type2_16	2.718800000	0.956000000	-1.935600000	0 # molecule nr 15
+Ion_Type2_17	-4.224300000	0.484200000	0.531100000	0 # molecule nr 16
+Ion_Type2_18	2.931000000	1.835800000	1.487600000	0 # molecule nr 17
+Ion_Type2_19	3.353500000	1.083700000	-0.816700000	0 # molecule nr 18
+Ion_Type2_20	3.641700000	-0.497700000	1.050400000	0 # molecule nr 19
+Ion_Type2_21	-4.243200000	1.843100000	-0.171600000	0 # molecule nr 20
+Ion_Type2_22	4.748600000	1.687300000	-0.810100000	0 # molecule nr 21
+Ion_Type2_23	5.069400000	-0.398000000	0.514800000	0 # molecule nr 22
+Ion_Type2_24	-5.397900000	2.684400000	0.375900000	0 # molecule nr 23
+Ion_Type2_25	5.501600000	1.056600000	0.370100000	0 # molecule nr 24
+Ion_Type2_26	-5.416800000	4.043400000	-0.326800000	0 # molecule nr 25
+Ion_Type2_27	-6.721600000	1.960400000	0.121800000	0 # molecule nr 26
+Ion_Type3_1	6.907700000	1.110600000	0.121400000	0 # molecule nr 27
+Ion_Type1_1	0.361200000	-3.628000000	1.323000000	0 # molecule nr 28
+Ion_Type1_2	0.488400000	-3.598300000	-0.452100000	0 # molecule nr 29
+Ion_Type1_3	1.498500000	-2.511200000	0.530800000	0 # molecule nr 30
+Ion_Type1_4	-1.003500000	-0.137600000	-0.792000000	0 # molecule nr 31
+Ion_Type1_5	-1.953400000	-3.575200000	0.536200000	0 # molecule nr 32
+Ion_Type1_6	-1.188300000	-0.199000000	1.517600000	0 # molecule nr 33
+Ion_Type1_7	-0.716500000	-1.604600000	2.512900000	0 # molecule nr 34
+Ion_Type1_8	1.762700000	-1.447900000	-0.834900000	0 # molecule nr 35
+Ion_Type1_9	-1.003000000	-1.358400000	-2.884800000	0 # molecule nr 36
+Ion_Type1_10	0.021700000	-2.662900000	-2.200800000	0 # molecule nr 37
+Ion_Type1_11	-2.888500000	-1.570600000	1.754300000	0 # molecule nr 38
+Ion_Type1_12	-2.057900000	-3.676500000	-1.762200000	0 # molecule nr 39
+Ion_Type1_13	-2.925900000	-2.114600000	-1.767200000	0 # molecule nr 40
+Ion_Type1_14	1.035300000	0.178500000	2.542000000	0 # molecule nr 41
+Ion_Type1_15	1.632500000	-1.332300000	1.830600000	0 # molecule nr 42
+Ion_Type1_16	0.727100000	1.177000000	0.359400000	0 # molecule nr 43
+Ion_Type1_17	1.337400000	-0.294200000	-2.961000000	0 # molecule nr 44
+Ion_Type1_18	0.603600000	1.085900000	-2.112600000	0 # molecule nr 45
+Ion_Type1_19	-2.126500000	0.158700000	0.164700000	0 # molecule nr 46
+Ion_Type1_20	-3.203400000	-0.504100000	-1.088100000	0 # molecule nr 47
+Ion_Type1_21	-5.180900000	-1.867900000	0.968700000	0 # molecule nr 48
+Ion_Type1_22	-4.602500000	-2.472100000	-0.602500000	0 # molecule nr 49
+Ion_Type1_23	-4.338500000	-3.432900000	0.872500000	0 # molecule nr 50
+Ion_Type1_24	3.191000000	1.321700000	-2.835400000	0 # molecule nr 51
+Ion_Type1_25	-5.167300000	-0.031600000	0.350100000	0 # molecule nr 52
+Ion_Type1_26	-4.090500000	0.631200000	1.602800000	0 # molecule nr 53
+Ion_Type1_27	2.813100000	1.477600000	2.510300000	0 # molecule nr 54
+Ion_Type1_28	3.913700000	2.293600000	1.373900000	0 # molecule nr 55
+Ion_Type1_29	2.159000000	2.573800000	1.269800000	0 # molecule nr 56
+Ion_Type1_30	3.660600000	-0.459300000	2.139600000	0 # molecule nr 57
+Ion_Type1_31	3.200700000	-1.441900000	0.731100000	0 # molecule nr 58
+Ion_Type1_32	-3.300200000	2.358900000	0.009400000	0 # molecule nr 59
+Ion_Type1_33	-4.377000000	1.696200000	-1.243300000	0 # molecule nr 60
+Ion_Type1_34	5.259300000	1.454700000	-1.744500000	0 # molecule nr 61
+Ion_Type1_35	4.686300000	2.767400000	-0.677500000	0 # molecule nr 62
+Ion_Type1_36	5.746000000	-0.903100000	1.204000000	0 # molecule nr 63
+Ion_Type1_37	5.121200000	-0.886700000	-0.458200000	0 # molecule nr 64
+Ion_Type1_38	-5.264100000	2.831400000	1.447600000	0 # molecule nr 65
+Ion_Type1_39	5.272700000	1.606800000	1.282800000	0 # molecule nr 66
+Ion_Type1_40	-6.239400000	4.642700000	0.063200000	0 # molecule nr 67
+Ion_Type1_41	-4.473800000	4.559100000	-0.145800000	0 # molecule nr 68
+Ion_Type1_42	-5.550600000	3.896400000	-1.398500000	0 # molecule nr 69
+Ion_Type1_43	-6.708100000	0.992300000	0.622400000	0 # molecule nr 70
+Ion_Type1_44	-7.544200000	2.559700000	0.511800000	0 # molecule nr 71
+Ion_Type1_45	-6.855400000	1.813400000	-0.949900000	0 # molecule nr 72
+Ion_Type1_46	7.139100000	2.044700000	0.026400000	0 # molecule nr 73
Index: tests/regression/Tesselation/3/pre/test.conf
===================================================================
--- tests/regression/Tesselation/3/pre/test.conf	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
+++ tests/regression/Tesselation/3/pre/test.conf	(revision ebcadedc2eb5f524f09fc7618fe9f4fea00cdbb8)
@@ -0,0 +1,147 @@
+# ParallelCarParinello - main configuration file - created with molecuilder
+
+mainname	pcp	# programm name (for runtime files)
+defaultpath	not specified	# where to put files during runtime
+pseudopotpath	not specified	# where to find pseudopotentials
+
+ProcPEGamma	8	# for parallel computing: share constants
+ProcPEPsi	1	# for parallel computing: share wave functions
+DoOutVis	0	# Output data for OpenDX
+DoOutMes	1	# Output data for measurements
+DoOutOrbitals	0	# Output all Orbitals
+DoOutCurr	0	# Ouput current density for OpenDx
+DoOutNICS	0	# Output Nucleus independent current shieldings
+DoPerturbation	0	# Do perturbation calculate and determine susceptibility and shielding
+DoFullCurrent	0	# Do full perturbation
+DoConstrainedMD	0	# Do perform a constrained (>0, relating to current MD step) instead of unconstrained (0) MD
+Thermostat	Berendsen	2.5	# Which Thermostat and its parameters to use in MD case.
+CommonWannier	0	# Put virtual centers at indivual orbits, all common, merged by variance, to grid point, to cell center
+SawtoothStart	0.01	# Absolute value for smooth transition at cell border 
+VectorPlane	0	# Cut plane axis (x, y or z: 0,1,2) for two-dim current vector plot
+VectorCut	0	# Cut plane axis value
+AddGramSch	1	# Additional GramSchmidtOrtogonalization to be safe
+Seed		1	# initial value for random seed for Psi coefficients
+
+MaxOuterStep	0	# number of MolecularDynamics/Structure optimization steps
+Deltat	0.01	# time per MD step
+OutVisStep	10	# Output visual data every ...th step
+OutSrcStep	5	# Output "restart" data every ..th step
+TargetTemp	0.000950045	# Target temperature
+MaxPsiStep	0	# number of Minimisation steps per state (0 - default)
+EpsWannier	1e-07	# tolerance value for spread minimisation of orbitals
+
+# Values specifying when to stop
+MaxMinStep	100	# Maximum number of steps
+RelEpsTotalE	1e-07	# relative change in total energy
+RelEpsKineticE	1e-05	# relative change in kinetic energy
+MaxMinStopStep	0	# check every ..th steps
+MaxMinGapStopStep	0	# check every ..th steps
+
+# Values specifying when to stop for INIT, otherwise same as above
+MaxInitMinStep	100	# Maximum number of steps
+InitRelEpsTotalE	1e-05	# relative change in total energy
+InitRelEpsKineticE	0.0001	# relative change in kinetic energy
+InitMaxMinStopStep	0	# check every ..th steps
+InitMaxMinGapStopStep	0	# check every ..th steps
+
+BoxLength			# (Length of a unit cell)
+20	
+0	20	
+0	0	20	
+
+ECut		128	# energy cutoff for discretization in Hartrees
+MaxLevel	5	# number of different levels in the code, >=2
+Level0Factor	2	# factor by which node number increases from S to 0 level
+RiemannTensor	0	# (Use metric)
+PsiType		0	# 0 - doubly occupied, 1 - SpinUp,SpinDown
+MaxPsiDouble	0	# here: specifying both maximum number of SpinUp- and -Down-states
+PsiMaxNoUp	0	# here: specifying maximum number of SpinUp-states
+PsiMaxNoDown	0	# here: specifying maximum number of SpinDown-states
+AddPsis		0	# Additional unoccupied Psis for bandgap determination
+
+RCut		20	# R-cut for the ewald summation
+StructOpt	0	# Do structure optimization beforehand
+IsAngstroem	1	# 0 - Bohr, 1 - Angstroem
+RelativeCoord	0	# whether ion coordinates are relative (1) or absolute (0)
+MaxTypes	3	# maximum number of different ion types
+
+# Ion type data (PP = PseudoPotential, Z = atomic number)
+#Ion_TypeNr.	Amount	Z	RGauss	L_Max(PP)L_Loc(PP)IonMass	# chemical name, symbol
+Ion_Type1	46	1	1.0	3	3	1.00800000000	Hydrogen	H
+Ion_Type2	27	6	1.0	3	3	12.01100000000	Carbon	C
+Ion_Type3	1	8	1.0	3	3	15.99900000000	Oxygen	O
+#Ion_TypeNr._Nr.R[0]    R[1]    R[2]    MoveType (0 MoveIon, 1 FixedIon)
+Ion_Type2_1	0.523300000	-2.991800000	0.452900000	0 # molecule nr 0
+Ion_Type2_2	-0.569100000	-1.922300000	0.392500000	0 # molecule nr 1
+Ion_Type2_3	-0.350400000	-1.008900000	-0.842500000	0 # molecule nr 2
+Ion_Type2_4	-1.920700000	-2.572100000	0.110800000	0 # molecule nr 3
+Ion_Type2_5	-0.488100000	-1.028600000	1.616200000	0 # molecule nr 4
+Ion_Type2_6	1.105500000	-0.578300000	-0.835400000	0 # molecule nr 5
+Ion_Type2_7	-0.762400000	-1.935100000	-1.991700000	0 # molecule nr 6
+Ion_Type2_8	-3.050700000	-1.716000000	0.686300000	0 # molecule nr 7
+Ion_Type2_9	-2.030000000	-2.637800000	-1.432900000	0 # molecule nr 8
+Ion_Type2_10	0.949900000	-0.494400000	1.688800000	0 # molecule nr 9
+Ion_Type2_11	1.330100000	0.271600000	0.428100000	0 # molecule nr 10
+Ion_Type2_12	1.369700000	0.312600000	-2.056100000	0 # molecule nr 11
+Ion_Type2_13	-3.069600000	-0.357100000	-0.016400000	0 # molecule nr 12
+Ion_Type2_14	-4.389400000	-2.423100000	0.465400000	0 # molecule nr 13
+Ion_Type2_15	2.800900000	0.660000000	0.517200000	0 # molecule nr 14
+Ion_Type2_16	2.718800000	0.956000000	-1.935600000	0 # molecule nr 15
+Ion_Type2_17	-4.224300000	0.484200000	0.531100000	0 # molecule nr 16
+Ion_Type2_18	2.931000000	1.835800000	1.487600000	0 # molecule nr 17
+Ion_Type2_19	3.353500000	1.083700000	-0.816700000	0 # molecule nr 18
+Ion_Type2_20	3.641700000	-0.497700000	1.050400000	0 # molecule nr 19
+Ion_Type2_21	-4.243200000	1.843100000	-0.171600000	0 # molecule nr 20
+Ion_Type2_22	4.748600000	1.687300000	-0.810100000	0 # molecule nr 21
+Ion_Type2_23	5.069400000	-0.398000000	0.514800000	0 # molecule nr 22
+Ion_Type2_24	-5.397900000	2.684400000	0.375900000	0 # molecule nr 23
+Ion_Type2_25	5.501600000	1.056600000	0.370100000	0 # molecule nr 24
+Ion_Type2_26	-5.416800000	4.043400000	-0.326800000	0 # molecule nr 25
+Ion_Type2_27	-6.721600000	1.960400000	0.121800000	0 # molecule nr 26
+Ion_Type3_1	6.907700000	1.110600000	0.121400000	0 # molecule nr 27
+Ion_Type1_1	0.361200000	-3.628000000	1.323000000	0 # molecule nr 28
+Ion_Type1_2	0.488400000	-3.598300000	-0.452100000	0 # molecule nr 29
+Ion_Type1_3	1.498500000	-2.511200000	0.530800000	0 # molecule nr 30
+Ion_Type1_4	-1.003500000	-0.137600000	-0.792000000	0 # molecule nr 31
+Ion_Type1_5	-1.953400000	-3.575200000	0.536200000	0 # molecule nr 32
+Ion_Type1_6	-1.188300000	-0.199000000	1.517600000	0 # molecule nr 33
+Ion_Type1_7	-0.716500000	-1.604600000	2.512900000	0 # molecule nr 34
+Ion_Type1_8	1.762700000	-1.447900000	-0.834900000	0 # molecule nr 35
+Ion_Type1_9	-1.003000000	-1.358400000	-2.884800000	0 # molecule nr 36
+Ion_Type1_10	0.021700000	-2.662900000	-2.200800000	0 # molecule nr 37
+Ion_Type1_11	-2.888500000	-1.570600000	1.754300000	0 # molecule nr 38
+Ion_Type1_12	-2.057900000	-3.676500000	-1.762200000	0 # molecule nr 39
+Ion_Type1_13	-2.925900000	-2.114600000	-1.767200000	0 # molecule nr 40
+Ion_Type1_14	1.035300000	0.178500000	2.542000000	0 # molecule nr 41
+Ion_Type1_15	1.632500000	-1.332300000	1.830600000	0 # molecule nr 42
+Ion_Type1_16	0.727100000	1.177000000	0.359400000	0 # molecule nr 43
+Ion_Type1_17	1.337400000	-0.294200000	-2.961000000	0 # molecule nr 44
+Ion_Type1_18	0.603600000	1.085900000	-2.112600000	0 # molecule nr 45
+Ion_Type1_19	-2.126500000	0.158700000	0.164700000	0 # molecule nr 46
+Ion_Type1_20	-3.203400000	-0.504100000	-1.088100000	0 # molecule nr 47
+Ion_Type1_21	-5.180900000	-1.867900000	0.968700000	0 # molecule nr 48
+Ion_Type1_22	-4.602500000	-2.472100000	-0.602500000	0 # molecule nr 49
+Ion_Type1_23	-4.338500000	-3.432900000	0.872500000	0 # molecule nr 50
+Ion_Type1_24	3.191000000	1.321700000	-2.835400000	0 # molecule nr 51
+Ion_Type1_25	-5.167300000	-0.031600000	0.350100000	0 # molecule nr 52
+Ion_Type1_26	-4.090500000	0.631200000	1.602800000	0 # molecule nr 53
+Ion_Type1_27	2.813100000	1.477600000	2.510300000	0 # molecule nr 54
+Ion_Type1_28	3.913700000	2.293600000	1.373900000	0 # molecule nr 55
+Ion_Type1_29	2.159000000	2.573800000	1.269800000	0 # molecule nr 56
+Ion_Type1_30	3.660600000	-0.459300000	2.139600000	0 # molecule nr 57
+Ion_Type1_31	3.200700000	-1.441900000	0.731100000	0 # molecule nr 58
+Ion_Type1_32	-3.300200000	2.358900000	0.009400000	0 # molecule nr 59
+Ion_Type1_33	-4.377000000	1.696200000	-1.243300000	0 # molecule nr 60
+Ion_Type1_34	5.259300000	1.454700000	-1.744500000	0 # molecule nr 61
+Ion_Type1_35	4.686300000	2.767400000	-0.677500000	0 # molecule nr 62
+Ion_Type1_36	5.746000000	-0.903100000	1.204000000	0 # molecule nr 63
+Ion_Type1_37	5.121200000	-0.886700000	-0.458200000	0 # molecule nr 64
+Ion_Type1_38	-5.264100000	2.831400000	1.447600000	0 # molecule nr 65
+Ion_Type1_39	5.272700000	1.606800000	1.282800000	0 # molecule nr 66
+Ion_Type1_40	-6.239400000	4.642700000	0.063200000	0 # molecule nr 67
+Ion_Type1_41	-4.473800000	4.559100000	-0.145800000	0 # molecule nr 68
+Ion_Type1_42	-5.550600000	3.896400000	-1.398500000	0 # molecule nr 69
+Ion_Type1_43	-6.708100000	0.992300000	0.622400000	0 # molecule nr 70
+Ion_Type1_44	-7.544200000	2.559700000	0.511800000	0 # molecule nr 71
+Ion_Type1_45	-6.855400000	1.813400000	-0.949900000	0 # molecule nr 72
+Ion_Type1_46	7.139100000	2.044700000	0.026400000	0 # molecule nr 73
