/IDENT        1    1
???
 /NAME         1    1
 
 /HISTORY      1    1
editor.tk   3.00 000 11/23/1998   norbertk   11/27/1998 12:15:28 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 6 0 13 15
5 6 0 16 18
6 6 0 19 22
7 6 0 23 24
8 7 2 25 25
9 1 0 26 26
10 1 0 27 27
11 1 0 28 28
12 1 0 29 29
13 1 0 30 30
14 1 0 31 31
15 1 0 32 32
16 1 0 33 33
17 1 0 34 34
 /BONDS       34   34
1 1 2 1
2 1 5 1
3 1 9 1
4 1 10 1
5 2 1 1
6 2 3 1
7 2 11 1
8 2 12 1
9 3 2 1
10 3 4 1
11 3 13 1
12 3 14 1
13 4 3 1
14 4 5 2
15 4 6 1
16 5 1 1
17 5 4 2
18 5 15 1
19 6 4 1
20 6 7 1
21 6 16 1
22 6 17 1
23 7 6 1
24 7 8 3
25 8 7 3
26 9 1 1
27 10 1 1
28 11 2 1
29 12 2 1
30 13 3 1
31 14 3 1
32 15 5 1
33 16 6 1
34 17 6 1
 /BLABEL       1    1
4 5 2048
 /2DCOORD     19   19
45
101.5598 241 20 207.7472
1 142 180
2 187 180
3 200.9058 137.2025
4 164.5001 110.7521
5 128.0943 137.2024
6 164.5002 65.7521
7 203.4714 43.2522
8 241 20
9 144.9163 207.7472
10 114.7097 185.8007
11 214.2903 185.8007
12 184.0837 207.7472
13 214.8558 113.0404
14 226.3937 148.5504
15 101.5598 128.5807
16 137.024 70.5968
17 154.9579 39.5346
 /ENSPROP      0    4
E_WEIGHT
gr/mol
Molecular weight of ensemble
F
 /EWEIGHT      1    1
107.154800
 /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 12:15:28 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
slategrey
slategrey
slategrey
slategrey
deepskyblue
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
paleturquoise1
 /ENDBLOCK     0    0