/IDENT        1    1
???
 /NAME         1    1
 
 /HISTORY      1    1
editor.tk   3.00 000 11/23/1998   norbertk   11/27/1998 12:22:02 sun4m-izar
 /MOLECULS     1    1
1 1 14
 /VALENCE      1    1
1
 /ATOMS       14   14
1 6 0 1 4
2 6 0 5 8
3 6 0 9 12
4 6 0 13 15
5 8 4 16 16
6 8 4 17 18
7 1 0 19 19
8 1 0 20 20
9 1 0 21 21
10 1 0 22 22
11 1 0 23 23
12 1 0 24 24
13 1 0 25 25
14 1 0 26 26
 /BONDS       26   26
1 1 2 1
2 1 7 1
3 1 8 1
4 1 9 1
5 2 1 1
6 2 3 1
7 2 10 1
8 2 11 1
9 3 2 1
10 3 4 1
11 3 12 1
12 3 13 1
13 4 3 1
14 4 5 2
15 4 6 1
16 5 4 2
17 6 4 1
18 6 14 1
19 7 1 1
20 8 1 1
21 9 1 1
22 10 2 1
23 11 2 1
24 12 3 1
25 13 3 1
26 14 6 1
 /2DCOORD     16   16
45
110.8379 315.0467 69.5 161.1621
1 135 137
2 173.9711 114.5
3 212.9423 137
4 251.9134 114.5
5 251.9134 69.5
6 290.8846 137
7 148.95 161.1621
8 110.8379 150.95
9 121.05 112.8379
10 156.0374 93.1274
11 191.9049 93.1274
12 230.876 158.3726
13 195.0085 158.3726
14 315.0467 150.95
 /ENSPROP      0    4
E_WEIGHT
gr/mol
Molecular weight of ensemble
F
 /EWEIGHT      1    1
88.106000
 /ENSPROP      0    4
E_INPUTDATE
 
Time stamp for molecule
 
 /INDATE       1    1
Nov 27 10:13:13 1998
 /ENSPROP      0    4
E_CHANGEDATE
 
Change data time stamp for molecule
 
 /INDATE       1    1
Nov 27 12:22:02 1998
 /ATOPROP      0    4
A_NOM_CHARGE
[E]
Nominal atom charge
I
 /ACHARGE     14   14
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     14   14
slategrey
slategrey
slategrey
slategrey
red
red
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
 /ENDBLOCK     0    0