/IDENT        1    1
08441 Fluka 55870
 /NAME         1    1
2-Hydroxymethyl-tetrahydropyran
 /HISTORY      4    4
browser.tk  3.00 000 11/23/1998   norbertk   11/27/1998 13:13:42 sun4m-izar
tkserver    2.00 000 02/12/1996   ralf       02/22/1996 17:04:48 sun4m-orion
tclserver_     s 2.0 02/22/1996   000        01/01/1970 01:00:00 1/24/1996
                     01/01/1970              01/01/1970 01:00:00 
 /MOLECULS     1    1
1 1 20
 /VALENCE      1    1
1
 /ATOMS       20   20
1 8 4 1 2
2 6 0 3 6
3 8 4 7 8
4 6 0 9 12
5 6 0 13 16
6 6 0 17 20
7 6 0 21 24
8 6 0 25 28
9 1 0 29 29
10 1 0 30 30
11 1 0 31 31
12 1 0 32 32
13 1 0 33 33
14 1 0 34 34
15 1 0 35 35
16 1 0 36 36
17 1 0 37 37
18 1 0 38 38
19 1 0 39 39
20 1 0 40 40
 /BONDS       40   40
1 1 2 1
2 1 4 1
3 2 1 1
4 2 5 1
5 2 6 1
6 2 9 1
7 3 5 1
8 3 10 1
9 4 1 1
10 4 7 1
11 4 11 1
12 4 12 1
13 5 2 1
14 5 3 1
15 5 13 1
16 5 14 1
17 6 2 1
18 6 8 1
19 6 15 1
20 6 16 1
21 7 4 1
22 7 8 1
23 7 17 1
24 7 18 1
25 8 6 1
26 8 7 1
27 8 19 1
28 8 20 1
29 9 2 1
30 10 3 1
31 11 4 1
32 12 4 1
33 13 5 1
34 14 5 1
35 15 6 1
36 16 6 1
37 17 7 1
38 18 7 1
39 19 8 1
40 20 8 1
 /2DCOORD     22   22
1.5404
-3.2918 3.7754 -2.4729 1.9581
1 0.9625 1.3542
2 -0.0708 0.2083
3 -2.6375 -0.5708
4 2.4667 1.0042
5 -1.5833 0.55
6 0.3708 -1.25
7 2.9292 -0.4458
8 1.8792 -1.5917
9 0.8613 0
10 -3.2918 -1.2665
11 3.4137 1.1277
12 2.5139 1.9581
13 -1.2116 1.4298
14 -2.3836 1.0712
15 -0.5772 -1.366
16 0.3226 -2.2038
17 3.5114 -1.2028
18 3.7754 -0.0029
19 1.511 -2.4729
20 2.6839 -2.1061
 /GRTEXT       2    2
08441 Fluka 55870
2-Hydroxymethyl-tetrahydropyran
 /ENSPROP      0    4
E_BEILSTEIN
none
Beilstein registry number
S
 /BEIL         1    1
102998
 /ENSPROP      0    4
CASNUMBER
none
CA registry number
S
 /CASNUMBE     1    1
100-72-1
 /ENSPROP      0    4
REFERENCE
none
literature reference(s)
S
 /REFERENC     1    1
{{Beilstein Vol/Suppl/Page} 17 V 136}
 /ENSPROP      0    4
PURITY
none
purity info
S
 /PURITY       1    1
pract. > 98.00 (GC)
 /MOLPROP      0    4
M_LABEL
 
Arbitrary molecule label
I
 /MOLLBL       1    1
1
 /ATOPROP      0    4
A_RADICAL
 
Flag for radical center
I
 /ARADICAL    20   20
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
 /ATOPROP      0    4
A_NOM_CHARGE
[E]
Nominal atom charge
I
 /ACHARGE     20   20
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
 /ATOPROP      0    4
A_COLOR
 
X color data base format atom color description
S
 /AXCOLOR     20   20
red
slategrey
red
slategrey
slategrey
slategrey
slategrey
slategrey
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
PaleTurquoise1
 /ENDBLOCK     0    0