1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
|
4 10
Aa
Aa 0.80 0.80 0.80
Ab
Ab 1.00 1.00 0.00
Ac
Ac 1.00 0.80 0.20
Ad
Ad 0.00 0.80 1.00
------------------- Aa Ab Ac Ad
. 13.8794 14.2981 1 0 0 0
. 27.8655 28.2919 1 0 0 0
. 14.4333 14.6733 1 0 0 0
. 14.9400 15.2000 1 0 0 0
. 28.9467 29.1733 1 0 0 0
. 29.8867 30.1133 1 0 0 0
. 68.7993 69.0600 0 1 0 0
. 70.8533 71.1000 0 1 0 0
. 196.8867 197.2867 0 0 1 0
. 43.9400 44.0267 1 0 0 1
--- polyatomic extension
1 1
AaAd
AaAd 0.80 0.80 1.00
----------------- AaAd
. 43.9400 44.0267 1
|
