/IDENT        1    1
???
 /NAME         1    1
 
 /HISTORY      1    1
editor.tk   3.00 000 11/23/1998   norbertk   11/26/1998 13:01:29 sun4m-izar
 /MOLECULS     1    1
1 1 17
 /VALENCE      1    1
1
 /ATOMS       17   17
1 6 0 1 4
2 6 0 5 8
3 6 0 9 12
4 35 6 13 13
5 6 0 14 16
6 8 4 17 17
7 8 4 18 19
8 6 0 20 23
9 1 0 24 24
10 1 0 25 25
11 1 0 26 26
12 1 0 27 27
13 1 0 28 28
14 1 0 29 29
15 1 0 30 30
16 1 0 31 31
17 1 0 32 32
 /BONDS       32   32
1 1 2 1
2 1 9 1
3 1 10 1
4 1 11 1
5 2 1 1
6 2 3 1
7 2 12 1
8 2 13 1
9 3 2 1
10 3 4 1
11 3 5 1
12 3 14 1
13 4 3 1
14 5 3 1
15 5 6 2
16 5 7 1
17 6 5 2
18 7 5 1
19 7 8 1
20 8 7 1
21 8 15 1
22 8 16 1
23 8 17 1
24 9 1 1
25 10 1 1
26 11 1 1
27 12 2 1
28 13 2 1
29 14 3 1
30 15 8 1
31 16 8 1
32 17 8 1
 /BSEARCH     16   16
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
0 0 0 0 0
 /2DCOORD     19   19
45
110.8379 354.0179 85 197.5
1 135 130
2 173.9711 152.5
3 212.9423 130
4 212.9423 85
5 251.9134 152.5
6 251.9134 197.5
7 290.8846 130
8 329.8557 152.5
9 121.05 154.1621
10 110.8379 116.05
11 148.95 105.8379
12 191.9049 173.8726
13 156.0374 173.8726
14 188.7802 116.05
15 343.8057 128.3379
16 354.0179 166.45
17 315.9058 176.6621
 /ENSPROP      0    4
E_WEIGHT
gr/mol
Molecular weight of ensemble
F
 /EWEIGHT      1    1
181.028900
 /ENSPROP      0    4
E_INPUTDATE
 
Time stamp for molecule
 
 /INDATE       1    1
Nov 26 11:13:46 1998
 /ENSPROP      0    4
E_CHANGEDATE
 
Change data time stamp for molecule
 
 /INDATE       1    1
Nov 26 13:01:29 1998
 /ATOPROP      0    4
A_NOM_CHARGE
[E]
Nominal atom charge
I
 /ACHARGE     17   17
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     17   17
slategrey
slategrey
slategrey
peru
slategrey
red
red
slategrey
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
 /ENDBLOCK     0    0