#MD System 2.0

@Title (C O H2)24  (P2_12_12_1) ~ Glucose

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
6 {} {0.16757124710929949 0.099902449622228398 0.91793659520776605} C 1 1
6 {} {0.082610861708447197 0.17501158170322209 0.0380909494590412} C2 2 1
6 {} {0.93862598844336098 0.15208845307332369 0.019696620611491699} C3 3 1
6 {} {0.91457660347829917 0.056879234301387603 0.1254160654198998} C4 4 1
6 {} {0.0033452759603027002 0.98743020897584299 0.99248592487487286} C5 5 1
6 {} {0.98234249940009566 0.89420580626488988 0.1058602709616874} C6 6 1
8 {} {0.1537190669817797 0.097950087422603194 0.64320748840431596} O 7 1
8 {} {0.1140910858160914 0.26062821404880521 0.92687643204848891} O2 8 1
8 {} {0.86777231669158073 0.21659963993648521 0.17101471766838561} O3 9 1
8 {} {0.7811743523825817 0.034315832384098299 0.083190999985632202} O4 10 1
8 {} {0.13552616451264621 0.014173652153683 0.037493795843194601} O5 11 1
8 {} {0.0454053051304266 0.82645735957943989 0.94917658701016816} O6 12 1
1 {} {0.22798339649372271 0.063715639074818101 0.57136147271000781} H 13 1
1 {} {0.053546370736809602 0.27764830850793598 0.77978536780874674} H3 14 1
1 {} {0.080372146944993006 0.78133722259097638 0.076845063395412194} H2 15 1
1 {} {0.77340433865120295 0.21619764755748611 0.12718947196774649} H4 16 1
1 {} {0.75019793511918142 0.99200668673103432 0.75193057626792548} H5 17 1
1 {} {0.26874847626276838 0.11095418891304359 0.97742159568983011} H6 18 1
1 {} {0.1080374559994437 0.17820927386172089 0.24955741772856849} H7 19 1
1 {} {0.90675167345448537 0.15485444019914721 0.81072319698418949} H8 20 1
1 {} {0.93521018395174205 0.057354139918181703 0.33960214321088272} H9 21 1
1 {} {0.98463250814007131 0.98608932627726242 0.77721731994594967} H10 22 1
1 {} {0.0184458899108665 0.89169549656944225 0.31058847648717353} H11 23 1
1 {} {0.8778307345871309 0.88103409235118868 0.1136336210090992} H12 24 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10.355136611866854 14.847332743873125 5.0542868592723273 90.0 90.0 90.0} {{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}} {{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}} P212121 19 {{10.355136611866854 0.0 0.0} {2.7223473101020644e-007 14.847332743873123 0.0} {9.2673374222735141e-008 9.2673372523513396e-008 5.0542868592723256}} {{0.096570430452265849 0.0 0.0} {-1.7706766333879844e-009 0.067352164678376888 0.0} {-1.7706766009215694e-009 -1.2349422225716088e-009 0.19785184890435198}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
6 0 0 0
10 0 0 0
17 0 0 0
2 1 0 0
7 1 0 0
18 1 0 0
3 2 0 0
8 2 0 0
19 2 0 0
4 3 0 0
9 3 0 0
20 3 0 0
5 4 0 0
10 4 0 0
21 4 0 0
11 5 0 0
22 5 0 0
23 5 0 0
12 6 0 0
13 7 0 0
15 8 0 0
16 9 0 0
14 11 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 4 {0 0 1} 0
0 5 1 {0 0 1} 0
0 6 2 {0 0 0} 0
0 7 3 {0 0 0} 0
1 24 0 {0 0 0} 0
1 25 1 {0 0 0} 0
1 26 2 {0 0 0} 0
1 27 3 {0 0 0} 0
2 0 40 {0 0 1} 0
2 41 1 {0 0 1} 0
2 42 2 {0 0 0} 0
2 43 3 {0 0 0} 0
3 68 0 {0 0 0} 0
3 69 1 {0 0 0} 0
3 70 2 {0 0 0} 0
3 71 3 {0 0 0} 0
4 8 4 {1 0 0} 0
4 9 5 {0 0 0} 0
4 6 10 {1 0 0} 0
4 11 7 {0 0 0} 0
5 28 4 {0 0 1} 0
5 5 29 {0 0 1} 0
5 30 6 {0 0 0} 0
5 31 7 {0 0 0} 0
6 72 4 {0 0 0} 0
6 73 5 {0 0 0} 0
6 74 6 {0 0 0} 0
6 75 7 {0 0 0} 0
7 12 8 {0 0 0} 0
7 13 9 {0 0 0} 0
7 14 10 {0 0 0} 0
7 15 11 {0 0 0} 0
8 32 8 {0 0 0} 0
8 33 9 {0 0 0} 0
8 34 10 {0 0 0} 0
8 35 11 {0 0 0} 0
9 76 8 {0 0 1} 0
9 9 77 {0 0 1} 0
9 78 10 {0 0 0} 0
9 79 11 {0 0 0} 0
10 12 16 {1 -1 -1} 0
10 13 17 {0 0 1} 0
10 18 14 {1 0 0} 0
10 15 19 {0 1 0} 0
11 36 12 {0 0 0} 0
11 37 13 {0 0 0} 0
11 38 14 {0 0 0} 0
11 39 15 {0 0 0} 0
12 80 12 {0 0 0} 0
12 81 13 {0 0 0} 0
12 82 14 {0 0 0} 0
12 83 15 {0 0 0} 0
13 20 16 {1 0 -1} 0
13 21 17 {0 0 1} 0
13 18 22 {1 0 0} 0
13 23 19 {0 0 0} 0
14 16 40 {0 1 1} 0
14 41 17 {0 0 1} 0
14 42 18 {0 0 0} 0
14 43 19 {0 1 0} 0
15 84 16 {1 0 0} 0
15 85 17 {0 0 0} 0
15 18 86 {1 0 0} 0
15 87 19 {0 0 0} 0
16 20 44 {1 0 -1} 0
16 21 45 {0 0 1} 0
16 46 22 {1 0 0} 0
16 47 23 {0 0 0} 0
17 20 88 {1 0 0} 0
17 89 21 {0 0 0} 0
17 90 22 {1 0 0} 0
17 91 23 {0 0 0} 0
18 92 20 {0 0 0} 0
18 93 21 {0 0 0} 0
18 94 22 {0 0 0} 0
18 95 23 {0 0 0} 0
19 48 24 {0 0 0} 0
19 49 25 {0 0 0} 0
19 50 26 {0 0 0} 0
19 51 27 {0 0 0} 0
20 52 28 {0 0 0} 0
20 53 29 {0 0 0} 0
20 54 30 {0 0 0} 0
20 55 31 {0 0 0} 0
21 60 32 {0 0 0} 0
21 61 33 {0 0 0} 0
21 62 34 {0 0 0} 0
21 63 35 {0 0 0} 0
22 64 39 {0 0 0} 0
22 65 38 {0 0 0} 0
22 66 37 {0 0 0} 0
22 67 36 {0 0 0} 0
23 44 56 {0 0 1} 0
23 57 45 {0 0 1} 0
23 58 46 {0 0 0} 0
23 59 47 {0 0 0} 0
@end