home
***
CD-ROM
|
disk
|
FTP
|
other
***
search
/
c't freeware shareware 2000 February
/
CT_SW0002.ISO
/
mac
/
software
/
wissen
/
chemie
/
cl6setup.exe
/
_SETUP.1
/
PCB-3.SYB
< prev
next >
Wrap
Text File
|
1993-07-12
|
2KB
|
49 lines
22 mol |Benzen |PCB variation #3
1 2 -0.2263 1.1426 -0.6581C
2 2 -1.2323 0.5818 0.1410C
3 2 -0.9492 -0.5516 0.9199C
4 2 0.3386 -1.1033 0.8861C
5 2 1.3456 -0.5444 0.0873C
6 2 1.0583 0.5875 -0.6906C
7 2 3.7712 -0.5267 0.7330C
8 2 2.7153 -1.1805 0.0835C
9 2 2.9524 -2.4077 -0.5575C
10 2 4.2343 -2.9705 -0.5395C
11 2 5.2867 -2.3136 0.1111C
12 2 5.0526 -1.0889 0.7478C
13 13 -0.4480 2.0319 -1.2724H
14 15 -2.8014 1.3337 0.1259Cl
15 15 -2.1375 -1.3062 1.9425Cl
16 13 0.5735 -1.9903 1.4987H
17 15 2.2683 1.3052 -1.7097Cl
18 13 3.5949 0.4372 1.2399H
19 15 1.6743 -3.2384 -1.3919Cl
20 13 4.4191 -3.9350 -1.0420H
21 15 6.8744 -3.0152 0.1310Cl
22 13 5.8719 -0.5604 1.2639H
23 mol
1 2 1 2
2 3 2 1
3 4 3 2
4 5 4 1
5 6 5 2
6 6 1 1
7 8 7 2
8 8 5 1
9 9 8 1
10 10 9 2
11 11 10 1
12 12 11 2
13 12 7 1
14 13 1 1
15 14 2 1
16 15 3 1
17 16 4 1
18 17 6 1
19 18 7 1
20 19 9 1
21 20 10 1
22 21 11 1
23 22 12 1
0 mol