Hello everybody,
I am using amber 9 in order to setup "top" and "crd" files of a
solvated counterionized sugar.
I can generate the "top" and "crd" files with tleap but I do not
understand the values of the charges in the "CHARGE"
flag of the resulting "top" file (see attached file) . As an example:
- oxygen of TIP3 water (0): -1.51973982E+01 where I would expect
-0.834000 from "solvents.lib" file provided with amber 9
- hydrogen of TIP3 water (H1 & H2): 7.59869910E+00 where I would
expect 0.417000
- sodium ion (Na+): 1.82223000E+01 where I would expect 1.000000
from "ions94.lib" file provided with amber 9
Is there something that I missed there ? Some kind of scaling factor
applied by AMBER during top file creation ?
I would like to mention that I observed the same kind of values with the
"prmtop" provided for the dhfr benchmark (amber9/benchmarks/dhfr).
thank you very much for your help
Eric
%VERSION VERSION_STAMP = V0001.000 DATE = 04/20/10 14:49:19
%FLAG TITLE
%FORMAT(20a4)
%FLAG POINTERS
%FORMAT(10I8)
4597 11 4531 65 87 99 173 202 0 0
6575 1509 65 99 202 10 18 29 11 1
0 0 0 0 0 0 0 1 20 0
0
%FLAG ATOM_NAME
%FORMAT(20a4)
HO1 O1 C1 H1 C2 H2 O2 H2O C3 H3 O3 H3O C4 H4 C5 H5 O5 C6 O6A O6B
O4 C1 H1 C2 H2 O2 H2O C3 H3 O3 H3O C4 H4 C5 H5 O5 C6 O6A O6B O4
C1 H1 C2 H2 O2 H2O C3 H3 O3 H3O C4 H4 C5 H5 O5 C6 O6A O6B O4 C1
H1 C2 H2 O2 H2O C3 H3 O3 H3O C4 H4 C5 H5 O5 C6 O6A O6B O4 C1 H1
C2 H2 O2 H2O C3 H3 O3 H3O C4 H4 O4 H4O C5 H5 O5 C6 O6A O6B Na+ Na+
Na+ Na+ Na+ O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
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H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
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1.00800000E+00 1.00800000E+00
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%FORMAT(10I8)
1 2 3 4 3 5 2 1 3 5
2 1 3 5 3 5 6 7 8 8
6 3 4 3 5 2 1 3 5 2
1 3 5 3 5 6 7 8 8 6
3 4 3 5 2 1 3 5 2 1
3 5 3 5 6 7 8 8 6 3
4 3 5 2 1 3 5 2 1 3
5 3 5 6 7 8 8 6 3 4
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2 1 3 5 6 7 8 8 9 9
9 9 9 10 11 11 10 11 11 10
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11 10 11 11 10 11 11 10 11 11
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11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11 10 11 11
10 11 11 10 11 11 10 11 11 10
11 11 10 11 11 10 11 11 10 11
11 10 11 11 10 11 11
%FLAG NUMBER_EXCLUDED_ATOMS
%FORMAT(10I8)
5 8 13 6 12 7 6 1 11 6
5 1 12 6 7 5 4 3 1 1
8 13 6 12 7 6 1 11 6 5
1 12 6 7 5 4 3 1 1 8
13 6 12 7 6 1 11 6 5 1
12 6 7 5 4 3 1 1 8 13
6 12 7 6 1 11 6 5 1 12
6 7 5 4 3 1 1 8 13 6
12 7 6 1 11 6 5 1 9 6
5 1 5 4 3 2 1 1 1 1
1 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1
%FLAG NONBONDED_PARM_INDEX
%FORMAT(10I8)
1 2 4 7 11 16 22 29 37 46
56 2 3 5 8 12 17 23 30 38
47 57 4 5 6 9 13 18 24 31
39 48 58 7 8 9 10 14 19 25
32 40 49 59 11 12 13 14 15 20
26 33 41 50 60 16 17 18 19 20
21 27 34 42 51 61 22 23 24 25
26 27 28 35 43 52 62 29 30 31
32 33 34 35 36 44 53 63 37 38
39 40 41 42 43 44 45 54 64 46
47 48 49 50 51 52 53 54 55 -1
56 57 58 59 60 61 62 63 64 -1
66
%FLAG RESIDUE_LABEL
%FORMAT(20a4)
ROH 4OA 4OA 4OA 4OA 0OA Na+ Na+ Na+ Na+ Na+ WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT
%FLAG RESIDUE_POINTER
%FORMAT(10I8)
1 3 22 41 60 79 99 100 101 102
103 104 107 110 113 116 119 122 125 128
131 134 137 140 143 146 149 152 155 158
161 164 167 170 173 176 179 182 185 188
191 194 197 200 203 206 209 212 215 218
221 224 227 230 233 236 239 242 245 248
251 254 257 260 263 266 269 272 275 278
281 284 287 290 293 296 299 302 305 308
311 314 317 320 323 326 329 332 335 338
341 344 347 350 353 356 359 362 365 368
371 374 377 380 383 386 389 392 395 398
401 404 407 410 413 416 419 422 425 428
431 434 437 440 443 446 449 452 455 458
461 464 467 470 473 476 479 482 485 488
491 494 497 500 503 506 509 512 515 518
521 524 527 530 533 536 539 542 545 548
551 554 557 560 563 566 569 572 575 578
581 584 587 590 593 596 599 602 605 608
611 614 617 620 623 626 629 632 635 638
641 644 647 650 653 656 659 662 665 668
671 674 677 680 683 686 689 692 695 698
701 704 707 710 713 716 719 722 725 728
731 734 737 740 743 746 749 752 755 758
761 764 767 770 773 776 779 782 785 788
791 794 797 800 803 806 809 812 815 818
821 824 827 830 833 836 839 842 845 848
851 854 857 860 863 866 869 872 875 878
881 884 887 890 893 896 899 902 905 908
911 914 917 920 923 926 929 932 935 938
941 944 947 950 953 956 959 962 965 968
971 974 977 980 983 986 989 992 995 998
1001 1004 1007 1010 1013 1016 1019 1022 1025 1028
1031 1034 1037 1040 1043 1046 1049 1052 1055 1058
1061 1064 1067 1070 1073 1076 1079 1082 1085 1088
1091 1094 1097 1100 1103 1106 1109 1112 1115 1118
1121 1124 1127 1130 1133 1136 1139 1142 1145 1148
1151 1154 1157 1160 1163 1166 1169 1172 1175 1178
1181 1184 1187 1190 1193 1196 1199 1202 1205 1208
1211 1214 1217 1220 1223 1226 1229 1232 1235 1238
1241 1244 1247 1250 1253 1256 1259 1262 1265 1268
1271 1274 1277 1280 1283 1286 1289 1292 1295 1298
1301 1304 1307 1310 1313 1316 1319 1322 1325 1328
1331 1334 1337 1340 1343 1346 1349 1352 1355 1358
1361 1364 1367 1370 1373 1376 1379 1382 1385 1388
1391 1394 1397 1400 1403 1406 1409 1412 1415 1418
1421 1424 1427 1430 1433 1436 1439 1442 1445 1448
1451 1454 1457 1460 1463 1466 1469 1472 1475 1478
1481 1484 1487 1490 1493 1496 1499 1502 1505 1508
1511 1514 1517 1520 1523 1526 1529 1532 1535 1538
1541 1544 1547 1550 1553 1556 1559 1562 1565 1568
1571 1574 1577 1580 1583 1586 1589 1592 1595 1598
1601 1604 1607 1610 1613 1616 1619 1622 1625 1628
1631 1634 1637 1640 1643 1646 1649 1652 1655 1658
1661 1664 1667 1670 1673 1676 1679 1682 1685 1688
1691 1694 1697 1700 1703 1706 1709 1712 1715 1718
1721 1724 1727 1730 1733 1736 1739 1742 1745 1748
1751 1754 1757 1760 1763 1766 1769 1772 1775 1778
1781 1784 1787 1790 1793 1796 1799 1802 1805 1808
1811 1814 1817 1820 1823 1826 1829 1832 1835 1838
1841 1844 1847 1850 1853 1856 1859 1862 1865 1868
1871 1874 1877 1880 1883 1886 1889 1892 1895 1898
1901 1904 1907 1910 1913 1916 1919 1922 1925 1928
1931 1934 1937 1940 1943 1946 1949 1952 1955 1958
1961 1964 1967 1970 1973 1976 1979 1982 1985 1988
1991 1994 1997 2000 2003 2006 2009 2012 2015 2018
2021 2024 2027 2030 2033 2036 2039 2042 2045 2048
2051 2054 2057 2060 2063 2066 2069 2072 2075 2078
2081 2084 2087 2090 2093 2096 2099 2102 2105 2108
2111 2114 2117 2120 2123 2126 2129 2132 2135 2138
2141 2144 2147 2150 2153 2156 2159 2162 2165 2168
2171 2174 2177 2180 2183 2186 2189 2192 2195 2198
2201 2204 2207 2210 2213 2216 2219 2222 2225 2228
2231 2234 2237 2240 2243 2246 2249 2252 2255 2258
2261 2264 2267 2270 2273 2276 2279 2282 2285 2288
2291 2294 2297 2300 2303 2306 2309 2312 2315 2318
2321 2324 2327 2330 2333 2336 2339 2342 2345 2348
2351 2354 2357 2360 2363 2366 2369 2372 2375 2378
2381 2384 2387 2390 2393 2396 2399 2402 2405 2408
2411 2414 2417 2420 2423 2426 2429 2432 2435 2438
2441 2444 2447 2450 2453 2456 2459 2462 2465 2468
2471 2474 2477 2480 2483 2486 2489 2492 2495 2498
2501 2504 2507 2510 2513 2516 2519 2522 2525 2528
2531 2534 2537 2540 2543 2546 2549 2552 2555 2558
2561 2564 2567 2570 2573 2576 2579 2582 2585 2588
2591 2594 2597 2600 2603 2606 2609 2612 2615 2618
2621 2624 2627 2630 2633 2636 2639 2642 2645 2648
2651 2654 2657 2660 2663 2666 2669 2672 2675 2678
2681 2684 2687 2690 2693 2696 2699 2702 2705 2708
2711 2714 2717 2720 2723 2726 2729 2732 2735 2738
2741 2744 2747 2750 2753 2756 2759 2762 2765 2768
2771 2774 2777 2780 2783 2786 2789 2792 2795 2798
2801 2804 2807 2810 2813 2816 2819 2822 2825 2828
2831 2834 2837 2840 2843 2846 2849 2852 2855 2858
2861 2864 2867 2870 2873 2876 2879 2882 2885 2888
2891 2894 2897 2900 2903 2906 2909 2912 2915 2918
2921 2924 2927 2930 2933 2936 2939 2942 2945 2948
2951 2954 2957 2960 2963 2966 2969 2972 2975 2978
2981 2984 2987 2990 2993 2996 2999 3002 3005 3008
3011 3014 3017 3020 3023 3026 3029 3032 3035 3038
3041 3044 3047 3050 3053 3056 3059 3062 3065 3068
3071 3074 3077 3080 3083 3086 3089 3092 3095 3098
3101 3104 3107 3110 3113 3116 3119 3122 3125 3128
3131 3134 3137 3140 3143 3146 3149 3152 3155 3158
3161 3164 3167 3170 3173 3176 3179 3182 3185 3188
3191 3194 3197 3200 3203 3206 3209 3212 3215 3218
3221 3224 3227 3230 3233 3236 3239 3242 3245 3248
3251 3254 3257 3260 3263 3266 3269 3272 3275 3278
3281 3284 3287 3290 3293 3296 3299 3302 3305 3308
3311 3314 3317 3320 3323 3326 3329 3332 3335 3338
3341 3344 3347 3350 3353 3356 3359 3362 3365 3368
3371 3374 3377 3380 3383 3386 3389 3392 3395 3398
3401 3404 3407 3410 3413 3416 3419 3422 3425 3428
3431 3434 3437 3440 3443 3446 3449 3452 3455 3458
3461 3464 3467 3470 3473 3476 3479 3482 3485 3488
3491 3494 3497 3500 3503 3506 3509 3512 3515 3518
3521 3524 3527 3530 3533 3536 3539 3542 3545 3548
3551 3554 3557 3560 3563 3566 3569 3572 3575 3578
3581 3584 3587 3590 3593 3596 3599 3602 3605 3608
3611 3614 3617 3620 3623 3626 3629 3632 3635 3638
3641 3644 3647 3650 3653 3656 3659 3662 3665 3668
3671 3674 3677 3680 3683 3686 3689 3692 3695 3698
3701 3704 3707 3710 3713 3716 3719 3722 3725 3728
3731 3734 3737 3740 3743 3746 3749 3752 3755 3758
3761 3764 3767 3770 3773 3776 3779 3782 3785 3788
3791 3794 3797 3800 3803 3806 3809 3812 3815 3818
3821 3824 3827 3830 3833 3836 3839 3842 3845 3848
3851 3854 3857 3860 3863 3866 3869 3872 3875 3878
3881 3884 3887 3890 3893 3896 3899 3902 3905 3908
3911 3914 3917 3920 3923 3926 3929 3932 3935 3938
3941 3944 3947 3950 3953 3956 3959 3962 3965 3968
3971 3974 3977 3980 3983 3986 3989 3992 3995 3998
4001 4004 4007 4010 4013 4016 4019 4022 4025 4028
4031 4034 4037 4040 4043 4046 4049 4052 4055 4058
4061 4064 4067 4070 4073 4076 4079 4082 4085 4088
4091 4094 4097 4100 4103 4106 4109 4112 4115 4118
4121 4124 4127 4130 4133 4136 4139 4142 4145 4148
4151 4154 4157 4160 4163 4166 4169 4172 4175 4178
4181 4184 4187 4190 4193 4196 4199 4202 4205 4208
4211 4214 4217 4220 4223 4226 4229 4232 4235 4238
4241 4244 4247 4250 4253 4256 4259 4262 4265 4268
4271 4274 4277 4280 4283 4286 4289 4292 4295 4298
4301 4304 4307 4310 4313 4316 4319 4322 4325 4328
4331 4334 4337 4340 4343 4346 4349 4352 4355 4358
4361 4364 4367 4370 4373 4376 4379 4382 4385 4388
4391 4394 4397 4400 4403 4406 4409 4412 4415 4418
4421 4424 4427 4430 4433 4436 4439 4442 4445 4448
4451 4454 4457 4460 4463 4466 4469 4472 4475 4478
4481 4484 4487 4490 4493 4496 4499 4502 4505 4508
4511 4514 4517 4520 4523 4526 4529 4532 4535 4538
4541 4544 4547 4550 4553 4556 4559 4562 4565 4568
4571 4574 4577 4580 4583 4586 4589 4592 4595
%FLAG BOND_FORCE_CONSTANT
%FORMAT(5E16.8)
3.20000000E+02 5.53000000E+02 2.85000000E+02 6.56000000E+02 3.40000000E+02
2.20000000E+02 3.10000000E+02 3.40000000E+02 5.53000000E+02 5.53000000E+02
%FLAG BOND_EQUIL_VALUE
%FORMAT(5E16.8)
1.43000000E+00 9.60000000E-01 1.46000000E+00 1.25000000E+00 1.09000000E+00
1.53000000E+00 1.52000000E+00 1.09000000E+00 9.57200000E-01 1.51360000E+00
%FLAG ANGLE_FORCE_CONSTANT
%FORMAT(5E16.8)
6.00000000E+01 7.00000000E+01 1.00000000E+02 5.50000000E+01 6.00000000E+01
7.00000000E+01 1.00000000E+02 8.00000000E+01 6.30000000E+01 6.00000000E+01
5.00000000E+01 7.00000000E+01 4.50000000E+01 6.30000000E+01 5.00000000E+01
6.00000000E+01 4.50000000E+01 4.50000000E+01
%FLAG ANGLE_EQUIL_VALUE
%FORMAT(5E16.8)
1.91986300E+00 1.87622975E+00 1.95476960E+00 1.91113635E+00 1.91986300E+00
1.89368305E+00 1.95476960E+00 2.19911580E+00 1.96105279E+00 1.91986300E+00
1.91113635E+00 2.00712950E+00 1.93731630E+00 1.93906163E+00 1.94778828E+00
1.91986300E+00 1.98094955E+00 1.93731630E+00
%FLAG DIHEDRAL_FORCE_CONSTANT
%FORMAT(5E16.8)
5.00000000E-02 -1.00000000E-01 9.50000000E-01 5.50000000E-01 1.00000000E-01
3.00000000E-01 1.27000000E+00 3.70000000E-01 1.80000000E-01 -1.10000000E+00
2.50000000E-01 -2.70000000E-01 -1.00000000E+00 1.00000000E-01 -1.00000000E-01
8.20000000E-01 -1.12500000E+00 0.00000000E+00 1.60000000E-01 1.70000000E-01
2.70000000E-01 -7.50000000E-01 6.00000000E-01 1.50000000E-01 4.50000000E-01
0.00000000E+00 -2.50000000E+00 2.00000000E-01 1.05000000E+01
%FLAG DIHEDRAL_PERIODICITY
%FORMAT(5E16.8)
3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00
1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00
2.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00
2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00
3.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00
2.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00
%FLAG DIHEDRAL_PHASE
%FORMAT(5E16.8)
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00
%FLAG SOLTY
%FORMAT(5E16.8)
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00
%FLAG LENNARD_JONES_ACOEF
%FORMAT(5E16.8)
0.00000000E+00 0.00000000E+00 5.81803229E+05 0.00000000E+00 7.91544157E+05
1.04308023E+06 0.00000000E+00 3.15360051E+04 4.68930885E+04 1.32801250E+03
0.00000000E+00 4.66922514E+04 6.78771368E+04 2.09814978E+03 3.25969625E+03
0.00000000E+00 4.58874091E+05 6.28541240E+05 2.44050579E+04 3.63097246E+04
3.61397723E+05 0.00000000E+00 7.01803794E+05 9.24822270E+05 4.15766412E+04
6.01816484E+04 5.57281136E+05 8.19971662E+05 0.00000000E+00 4.71003287E+05
6.47841731E+05 2.47595516E+04 3.69471530E+04 3.70622491E+05 5.74393458E+05
3.79876399E+05 0.00000000E+00 1.10266668E+05 1.46262291E+05 6.41478454E+03
9.32828112E+03 8.74378859E+04 1.29679981E+05 9.00460732E+04 2.04815198E+04
0.00000000E+00 5.82502563E+05 7.85891943E+05 3.23214010E+04 4.75704382E+04
4.60243367E+05 6.96792394E+05 4.72924678E+05 1.09667424E+05 5.81923367E+05
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00
%FLAG LENNARD_JONES_BCOEF
%FORMAT(5E16.8)
0.00000000E+00 0.00000000E+00 6.99746810E+02 0.00000000E+00 6.93079947E+02
6.75612247E+02 0.00000000E+00 8.51470647E+01 8.81685417E+01 9.13231543E+00
0.00000000E+00 1.03606917E+02 1.06076943E+02 1.14788417E+01 1.43076527E+01
0.00000000E+00 5.89183300E+02 5.85549272E+02 7.10161395E+01 8.66220817E+01
4.95732238E+02 0.00000000E+00 6.14502845E+02 5.99015525E+02 7.81725398E+01
9.40505980E+01 5.19163331E+02 5.31102864E+02 0.00000000E+00 6.29300710E+02
6.26720080E+02 7.54103785E+01 9.21192136E+01 5.29252520E+02 5.55666448E+02
5.64885984E+02 0.00000000E+00 1.03189022E+02 1.00918423E+02 1.30081605E+01
1.56864859E+01 8.71188216E+01 8.94769186E+01 9.32045579E+01 1.50643699E+01
0.00000000E+00 6.45613575E+02 6.36792659E+02 7.94844734E+01 9.64285838E+01
5.44086937E+02 5.64597060E+02 5.81450986E+02 9.48901345E+01 5.95014434E+02
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00
%FLAG BONDS_INC_HYDROGEN
%FORMAT(10I8)
0 3 2 42 45 5 36 39 5 30
33 2 24 27 5 18 21 2 12 15
5 6 9 8 99 102 5 93 96 5
87 90 2 81 84 5 75 78 2 69
72 5 63 66 8 156 159 5 150 153
5 144 147 2 138 141 5 132 135 2
126 129 5 120 123 8 213 216 5 207
210 5 201 204 2 195 198 5 189 192
2 183 186 5 177 180 8 276 279 5
270 273 2 264 267 5 258 261 2 252
255 5 246 249 2 240 243 5 234 237
8 312 309 9 315 309 9 315 312 10
321 318 9 324 318 9 324 321 10 330
327 9 333 327 9 333 330 10 339 336
9 342 336 9 342 339 10 348 345 9
351 345 9 351 348 10 357 354 9 360
354 9 360 357 10 366 363 9 369 363
9 369 366 10 375 372 9 378 372 9
378 375 10 384 381 9 387 381 9 387
384 10 393 390 9 396 390 9 396 393
10 402 399 9 405 399 9 405 402 10
411 408 9 414 408 9 414 411 10 420
417 9 423 417 9 423 420 10 429 426
9 432 426 9 432 429 10 438 435 9
441 435 9 441 438 10 447 444 9 450
444 9 450 447 10 456 453 9 459 453
9 459 456 10 465 462 9 468 462 9
468 465 10 474 471 9 477 471 9 477
474 10 483 480 9 486 480 9 486 483
10 492 489 9 495 489 9 495 492 10
501 498 9 504 498 9 504 501 10 510
507 9 513 507 9 513 510 10 519 516
9 522 516 9 522 519 10 528 525 9
531 525 9 531 528 10 537 534 9 540
534 9 540 537 10 546 543 9 549 543
9 549 546 10 555 552 9 558 552 9
558 555 10 564 561 9 567 561 9 567
564 10 573 570 9 576 570 9 576 573
10 582 579 9 585 579 9 585 582 10
591 588 9 594 588 9 594 591 10 600
597 9 603 597 9 603 600 10 609 606
9 612 606 9 612 609 10 618 615 9
621 615 9 621 618 10 627 624 9 630
624 9 630 627 10 636 633 9 639 633
9 639 636 10 645 642 9 648 642 9
648 645 10 654 651 9 657 651 9 657
654 10 663 660 9 666 660 9 666 663
10 672 669 9 675 669 9 675 672 10
681 678 9 684 678 9 684 681 10 690
687 9 693 687 9 693 690 10 699 696
9 702 696 9 702 699 10 708 705 9
711 705 9 711 708 10 717 714 9 720
714 9 720 717 10 726 723 9 729 723
9 729 726 10 735 732 9 738 732 9
738 735 10 744 741 9 747 741 9 747
744 10 753 750 9 756 750 9 756 753
10 762 759 9 765 759 9 765 762 10
771 768 9 774 768 9 774 771 10 780
777 9 783 777 9 783 780 10 789 786
9 792 786 9 792 789 10 798 795 9
801 795 9 801 798 10 807 804 9 810
804 9 810 807 10 816 813 9 819 813
9 819 816 10 825 822 9 828 822 9
828 825 10 834 831 9 837 831 9 837
834 10 843 840 9 846 840 9 846 843
10 852 849 9 855 849 9 855 852 10
861 858 9 864 858 9 864 861 10 870
867 9 873 867 9 873 870 10 879 876
9 882 876 9 882 879 10 888 885 9
891 885 9 891 888 10 897 894 9 900
894 9 900 897 10 906 903 9 909 903
9 909 906 10 915 912 9 918 912 9
918 915 10 924 921 9 927 921 9 927
924 10 933 930 9 936 930 9 936 933
10 942 939 9 945 939 9 945 942 10
951 948 9 954 948 9 954 951 10 960
957 9 963 957 9 963 960 10 969 966
9 972 966 9 972 969 10 978 975 9
981 975 9 981 978 10 987 984 9 990
984 9 990 987 10 996 993 9 999 993
9 999 996 10 1005 1002 9 1008 1002 9
1008 1005 10 1014 1011 9 1017 1011 9 1017
1014 10 1023 1020 9 1026 1020 9 1026 1023
10 1032 1029 9 1035 1029 9 1035 1032 10
1041 1038 9 1044 1038 9 1044 1041 10 1050
1047 9 1053 1047 9 1053 1050 10 1059 1056
9 1062 1056 9 1062 1059 10 1068 1065 9
1071 1065 9 1071 1068 10 1077 1074 9 1080
1074 9 1080 1077 10 1086 1083 9 1089 1083
9 1089 1086 10 1095 1092 9 1098 1092 9
1098 1095 10 1104 1101 9 1107 1101 9 1107
1104 10 1113 1110 9 1116 1110 9 1116 1113
10 1122 1119 9 1125 1119 9 1125 1122 10
1131 1128 9 1134 1128 9 1134 1131 10 1140
1137 9 1143 1137 9 1143 1140 10 1149 1146
9 1152 1146 9 1152 1149 10 1158 1155 9
1161 1155 9 1161 1158 10 1167 1164 9 1170
1164 9 1170 1167 10 1176 1173 9 1179 1173
9 1179 1176 10 1185 1182 9 1188 1182 9
1188 1185 10 1194 1191 9 1197 1191 9 1197
1194 10 1203 1200 9 1206 1200 9 1206 1203
10 1212 1209 9 1215 1209 9 1215 1212 10
1221 1218 9 1224 1218 9 1224 1221 10 1230
1227 9 1233 1227 9 1233 1230 10 1239 1236
9 1242 1236 9 1242 1239 10 1248 1245 9
1251 1245 9 1251 1248 10 1257 1254 9 1260
1254 9 1260 1257 10 1266 1263 9 1269 1263
9 1269 1266 10 1275 1272 9 1278 1272 9
1278 1275 10 1284 1281 9 1287 1281 9 1287
1284 10 1293 1290 9 1296 1290 9 1296 1293
10 1302 1299 9 1305 1299 9 1305 1302 10
1311 1308 9 1314 1308 9 1314 1311 10 1320
1317 9 1323 1317 9 1323 1320 10 1329 1326
9 1332 1326 9 1332 1329 10 1338 1335 9
1341 1335 9 1341 1338 10 1347 1344 9 1350
1344 9 1350 1347 10 1356 1353 9 1359 1353
9 1359 1356 10 1365 1362 9 1368 1362 9
1368 1365 10 1374 1371 9 1377 1371 9 1377
1374 10 1383 1380 9 1386 1380 9 1386 1383
10 1392 1389 9 1395 1389 9 1395 1392 10
1401 1398 9 1404 1398 9 1404 1401 10 1410
1407 9 1413 1407 9 1413 1410 10 1419 1416
9 1422 1416 9 1422 1419 10 1428 1425 9
1431 1425 9 1431 1428 10 1437 1434 9 1440
1434 9 1440 1437 10 1446 1443 9 1449 1443
9 1449 1446 10 1455 1452 9 1458 1452 9
1458 1455 10 1464 1461 9 1467 1461 9 1467
1464 10 1473 1470 9 1476 1470 9 1476 1473
10 1482 1479 9 1485 1479 9 1485 1482 10
1491 1488 9 1494 1488 9 1494 1491 10 1500
1497 9 1503 1497 9 1503 1500 10 1509 1506
9 1512 1506 9 1512 1509 10 1518 1515 9
1521 1515 9 1521 1518 10 1527 1524 9 1530
1524 9 1530 1527 10 1536 1533 9 1539 1533
9 1539 1536 10 1545 1542 9 1548 1542 9
1548 1545 10 1554 1551 9 1557 1551 9 1557
1554 10 1563 1560 9 1566 1560 9 1566 1563
10 1572 1569 9 1575 1569 9 1575 1572 10
1581 1578 9 1584 1578 9 1584 1581 10 1590
1587 9 1593 1587 9 1593 1590 10 1599 1596
9 1602 1596 9 1602 1599 10 1608 1605 9
1611 1605 9 1611 1608 10 1617 1614 9 1620
1614 9 1620 1617 10 1626 1623 9 1629 1623
9 1629 1626 10 1635 1632 9 1638 1632 9
1638 1635 10 1644 1641 9 1647 1641 9 1647
1644 10 1653 1650 9 1656 1650 9 1656 1653
10 1662 1659 9 1665 1659 9 1665 1662 10
1671 1668 9 1674 1668 9 1674 1671 10 1680
1677 9 1683 1677 9 1683 1680 10 1689 1686
9 1692 1686 9 1692 1689 10 1698 1695 9
1701 1695 9 1701 1698 10 1707 1704 9 1710
1704 9 1710 1707 10 1716 1713 9 1719 1713
9 1719 1716 10 1725 1722 9 1728 1722 9
1728 1725 10 1734 1731 9 1737 1731 9 1737
1734 10 1743 1740 9 1746 1740 9 1746 1743
10 1752 1749 9 1755 1749 9 1755 1752 10
1761 1758 9 1764 1758 9 1764 1761 10 1770
1767 9 1773 1767 9 1773 1770 10 1779 1776
9 1782 1776 9 1782 1779 10 1788 1785 9
1791 1785 9 1791 1788 10 1797 1794 9 1800
1794 9 1800 1797 10 1806 1803 9 1809 1803
9 1809 1806 10 1815 1812 9 1818 1812 9
1818 1815 10 1824 1821 9 1827 1821 9 1827
1824 10 1833 1830 9 1836 1830 9 1836 1833
10 1842 1839 9 1845 1839 9 1845 1842 10
1851 1848 9 1854 1848 9 1854 1851 10 1860
1857 9 1863 1857 9 1863 1860 10 1869 1866
9 1872 1866 9 1872 1869 10 1878 1875 9
1881 1875 9 1881 1878 10 1887 1884 9 1890
1884 9 1890 1887 10 1896 1893 9 1899 1893
9 1899 1896 10 1905 1902 9 1908 1902 9
1908 1905 10 1914 1911 9 1917 1911 9 1917
1914 10 1923 1920 9 1926 1920 9 1926 1923
10 1932 1929 9 1935 1929 9 1935 1932 10
1941 1938 9 1944 1938 9 1944 1941 10 1950
1947 9 1953 1947 9 1953 1950 10 1959 1956
9 1962 1956 9 1962 1959 10 1968 1965 9
1971 1965 9 1971 1968 10 1977 1974 9 1980
1974 9 1980 1977 10 1986 1983 9 1989 1983
9 1989 1986 10 1995 1992 9 1998 1992 9
1998 1995 10 2004 2001 9 2007 2001 9 2007
2004 10 2013 2010 9 2016 2010 9 2016 2013
10 2022 2019 9 2025 2019 9 2025 2022 10
2031 2028 9 2034 2028 9 2034 2031 10 2040
2037 9 2043 2037 9 2043 2040 10 2049 2046
9 2052 2046 9 2052 2049 10 2058 2055 9
2061 2055 9 2061 2058 10 2067 2064 9 2070
2064 9 2070 2067 10 2076 2073 9 2079 2073
9 2079 2076 10 2085 2082 9 2088 2082 9
2088 2085 10 2094 2091 9 2097 2091 9 2097
2094 10 2103 2100 9 2106 2100 9 2106 2103
10 2112 2109 9 2115 2109 9 2115 2112 10
2121 2118 9 2124 2118 9 2124 2121 10 2130
2127 9 2133 2127 9 2133 2130 10 2139 2136
9 2142 2136 9 2142 2139 10 2148 2145 9
2151 2145 9 2151 2148 10 2157 2154 9 2160
2154 9 2160 2157 10 2166 2163 9 2169 2163
9 2169 2166 10 2175 2172 9 2178 2172 9
2178 2175 10 2184 2181 9 2187 2181 9 2187
2184 10 2193 2190 9 2196 2190 9 2196 2193
10 2202 2199 9 2205 2199 9 2205 2202 10
2211 2208 9 2214 2208 9 2214 2211 10 2220
2217 9 2223 2217 9 2223 2220 10 2229 2226
9 2232 2226 9 2232 2229 10 2238 2235 9
2241 2235 9 2241 2238 10 2247 2244 9 2250
2244 9 2250 2247 10 2256 2253 9 2259 2253
9 2259 2256 10 2265 2262 9 2268 2262 9
2268 2265 10 2274 2271 9 2277 2271 9 2277
2274 10 2283 2280 9 2286 2280 9 2286 2283
10 2292 2289 9 2295 2289 9 2295 2292 10
2301 2298 9 2304 2298 9 2304 2301 10 2310
2307 9 2313 2307 9 2313 2310 10 2319 2316
9 2322 2316 9 2322 2319 10 2328 2325 9
2331 2325 9 2331 2328 10 2337 2334 9 2340
2334 9 2340 2337 10 2346 2343 9 2349 2343
9 2349 2346 10 2355 2352 9 2358 2352 9
2358 2355 10 2364 2361 9 2367 2361 9 2367
2364 10 2373 2370 9 2376 2370 9 2376 2373
10 2382 2379 9 2385 2379 9 2385 2382 10
2391 2388 9 2394 2388 9 2394 2391 10 2400
2397 9 2403 2397 9 2403 2400 10 2409 2406
9 2412 2406 9 2412 2409 10 2418 2415 9
2421 2415 9 2421 2418 10 2427 2424 9 2430
2424 9 2430 2427 10 2436 2433 9 2439 2433
9 2439 2436 10 2445 2442 9 2448 2442 9
2448 2445 10 2454 2451 9 2457 2451 9 2457
2454 10 2463 2460 9 2466 2460 9 2466 2463
10 2472 2469 9 2475 2469 9 2475 2472 10
2481 2478 9 2484 2478 9 2484 2481 10 2490
2487 9 2493 2487 9 2493 2490 10 2499 2496
9 2502 2496 9 2502 2499 10 2508 2505 9
2511 2505 9 2511 2508 10 2517 2514 9 2520
2514 9 2520 2517 10 2526 2523 9 2529 2523
9 2529 2526 10 2535 2532 9 2538 2532 9
2538 2535 10 2544 2541 9 2547 2541 9 2547
2544 10 2553 2550 9 2556 2550 9 2556 2553
10 2562 2559 9 2565 2559 9 2565 2562 10
2571 2568 9 2574 2568 9 2574 2571 10 2580
2577 9 2583 2577 9 2583 2580 10 2589 2586
9 2592 2586 9 2592 2589 10 2598 2595 9
2601 2595 9 2601 2598 10 2607 2604 9 2610
2604 9 2610 2607 10 2616 2613 9 2619 2613
9 2619 2616 10 2625 2622 9 2628 2622 9
2628 2625 10 2634 2631 9 2637 2631 9 2637
2634 10 2643 2640 9 2646 2640 9 2646 2643
10 2652 2649 9 2655 2649 9 2655 2652 10
2661 2658 9 2664 2658 9 2664 2661 10 2670
2667 9 2673 2667 9 2673 2670 10 2679 2676
9 2682 2676 9 2682 2679 10 2688 2685 9
2691 2685 9 2691 2688 10 2697 2694 9 2700
2694 9 2700 2697 10 2706 2703 9 2709 2703
9 2709 2706 10 2715 2712 9 2718 2712 9
2718 2715 10 2724 2721 9 2727 2721 9 2727
2724 10 2733 2730 9 2736 2730 9 2736 2733
10 2742 2739 9 2745 2739 9 2745 2742 10
2751 2748 9 2754 2748 9 2754 2751 10 2760
2757 9 2763 2757 9 2763 2760 10 2769 2766
9 2772 2766 9 2772 2769 10 2778 2775 9
2781 2775 9 2781 2778 10 2787 2784 9 2790
2784 9 2790 2787 10 2796 2793 9 2799 2793
9 2799 2796 10 2805 2802 9 2808 2802 9
2808 2805 10 2814 2811 9 2817 2811 9 2817
2814 10 2823 2820 9 2826 2820 9 2826 2823
10 2832 2829 9 2835 2829 9 2835 2832 10
2841 2838 9 2844 2838 9 2844 2841 10 2850
2847 9 2853 2847 9 2853 2850 10 2859 2856
9 2862 2856 9 2862 2859 10 2868 2865 9
2871 2865 9 2871 2868 10 2877 2874 9 2880
2874 9 2880 2877 10 2886 2883 9 2889 2883
9 2889 2886 10 2895 2892 9 2898 2892 9
2898 2895 10 2904 2901 9 2907 2901 9 2907
2904 10 2913 2910 9 2916 2910 9 2916 2913
10 2922 2919 9 2925 2919 9 2925 2922 10
2931 2928 9 2934 2928 9 2934 2931 10 2940
2937 9 2943 2937 9 2943 2940 10 2949 2946
9 2952 2946 9 2952 2949 10 2958 2955 9
2961 2955 9 2961 2958 10 2967 2964 9 2970
2964 9 2970 2967 10 2976 2973 9 2979 2973
9 2979 2976 10 2985 2982 9 2988 2982 9
2988 2985 10 2994 2991 9 2997 2991 9 2997
2994 10 3003 3000 9 3006 3000 9 3006 3003
10 3012 3009 9 3015 3009 9 3015 3012 10
3021 3018 9 3024 3018 9 3024 3021 10 3030
3027 9 3033 3027 9 3033 3030 10 3039 3036
9 3042 3036 9 3042 3039 10 3048 3045 9
3051 3045 9 3051 3048 10 3057 3054 9 3060
3054 9 3060 3057 10 3066 3063 9 3069 3063
9 3069 3066 10 3075 3072 9 3078 3072 9
3078 3075 10 3084 3081 9 3087 3081 9 3087
3084 10 3093 3090 9 3096 3090 9 3096 3093
10 3102 3099 9 3105 3099 9 3105 3102 10
3111 3108 9 3114 3108 9 3114 3111 10 3120
3117 9 3123 3117 9 3123 3120 10 3129 3126
9 3132 3126 9 3132 3129 10 3138 3135 9
3141 3135 9 3141 3138 10 3147 3144 9 3150
3144 9 3150 3147 10 3156 3153 9 3159 3153
9 3159 3156 10 3165 3162 9 3168 3162 9
3168 3165 10 3174 3171 9 3177 3171 9 3177
3174 10 3183 3180 9 3186 3180 9 3186 3183
10 3192 3189 9 3195 3189 9 3195 3192 10
3201 3198 9 3204 3198 9 3204 3201 10 3210
3207 9 3213 3207 9 3213 3210 10 3219 3216
9 3222 3216 9 3222 3219 10 3228 3225 9
3231 3225 9 3231 3228 10 3237 3234 9 3240
3234 9 3240 3237 10 3246 3243 9 3249 3243
9 3249 3246 10 3255 3252 9 3258 3252 9
3258 3255 10 3264 3261 9 3267 3261 9 3267
3264 10 3273 3270 9 3276 3270 9 3276 3273
10 3282 3279 9 3285 3279 9 3285 3282 10
3291 3288 9 3294 3288 9 3294 3291 10 3300
3297 9 3303 3297 9 3303 3300 10 3309 3306
9 3312 3306 9 3312 3309 10 3318 3315 9
3321 3315 9 3321 3318 10 3327 3324 9 3330
3324 9 3330 3327 10 3336 3333 9 3339 3333
9 3339 3336 10 3345 3342 9 3348 3342 9
3348 3345 10 3354 3351 9 3357 3351 9 3357
3354 10 3363 3360 9 3366 3360 9 3366 3363
10 3372 3369 9 3375 3369 9 3375 3372 10
3381 3378 9 3384 3378 9 3384 3381 10 3390
3387 9 3393 3387 9 3393 3390 10 3399 3396
9 3402 3396 9 3402 3399 10 3408 3405 9
3411 3405 9 3411 3408 10 3417 3414 9 3420
3414 9 3420 3417 10 3426 3423 9 3429 3423
9 3429 3426 10 3435 3432 9 3438 3432 9
3438 3435 10 3444 3441 9 3447 3441 9 3447
3444 10 3453 3450 9 3456 3450 9 3456 3453
10 3462 3459 9 3465 3459 9 3465 3462 10
3471 3468 9 3474 3468 9 3474 3471 10 3480
3477 9 3483 3477 9 3483 3480 10 3489 3486
9 3492 3486 9 3492 3489 10 3498 3495 9
3501 3495 9 3501 3498 10 3507 3504 9 3510
3504 9 3510 3507 10 3516 3513 9 3519 3513
9 3519 3516 10 3525 3522 9 3528 3522 9
3528 3525 10 3534 3531 9 3537 3531 9 3537
3534 10 3543 3540 9 3546 3540 9 3546 3543
10 3552 3549 9 3555 3549 9 3555 3552 10
3561 3558 9 3564 3558 9 3564 3561 10 3570
3567 9 3573 3567 9 3573 3570 10 3579 3576
9 3582 3576 9 3582 3579 10 3588 3585 9
3591 3585 9 3591 3588 10 3597 3594 9 3600
3594 9 3600 3597 10 3606 3603 9 3609 3603
9 3609 3606 10 3615 3612 9 3618 3612 9
3618 3615 10 3624 3621 9 3627 3621 9 3627
3624 10 3633 3630 9 3636 3630 9 3636 3633
10 3642 3639 9 3645 3639 9 3645 3642 10
3651 3648 9 3654 3648 9 3654 3651 10 3660
3657 9 3663 3657 9 3663 3660 10 3669 3666
9 3672 3666 9 3672 3669 10 3678 3675 9
3681 3675 9 3681 3678 10 3687 3684 9 3690
3684 9 3690 3687 10 3696 3693 9 3699 3693
9 3699 3696 10 3705 3702 9 3708 3702 9
3708 3705 10 3714 3711 9 3717 3711 9 3717
3714 10 3723 3720 9 3726 3720 9 3726 3723
10 3732 3729 9 3735 3729 9 3735 3732 10
3741 3738 9 3744 3738 9 3744 3741 10 3750
3747 9 3753 3747 9 3753 3750 10 3759 3756
9 3762 3756 9 3762 3759 10 3768 3765 9
3771 3765 9 3771 3768 10 3777 3774 9 3780
3774 9 3780 3777 10 3786 3783 9 3789 3783
9 3789 3786 10 3795 3792 9 3798 3792 9
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8421 8418 9 8424 8418 9 8424 8421 10 8430
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8748 8745 10 8754 8751 9 8757 8751 9 8757
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8838 8835 10 8844 8841 9 8847 8841 9 8847
8844 10 8853 8850 9 8856 8850 9 8856 8853
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8871 8868 9 8874 8868 9 8874 8871 10 8880
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10 9582 9579 9 9585 9579 9 9585 9582 10
9591 9588 9 9594 9588 9 9594 9591 10 9600
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9738 9735 10 9744 9741 9 9747 9741 9 9747
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10008 10005 10 10014 10011 9 10017 10011 9 10017
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10041 10038 9 10044 10038 9 10044 10041 10 10050
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10098 10095 10 10104 10101 9 10107 10101 9 10107
10104 10 10113 10110 9 10116 10110 9 10116 10113
10 10122 10119 9 10125 10119 9 10125 10122 10
10131 10128 9 10134 10128 9 10134 10131 10 10140
10137 9 10143 10137 9 10143 10140 10 10149 10146
9 10152 10146 9 10152 10149 10 10158 10155 9
10161 10155 9 10161 10158 10 10167 10164 9 10170
10164 9 10170 10167 10 10176 10173 9 10179 10173
9 10179 10176 10 10185 10182 9 10188 10182 9
10188 10185 10 10194 10191 9 10197 10191 9 10197
10194 10 10203 10200 9 10206 10200 9 10206 10203
10 10212 10209 9 10215 10209 9 10215 10212 10
10221 10218 9 10224 10218 9 10224 10221 10 10230
10227 9 10233 10227 9 10233 10230 10 10239 10236
9 10242 10236 9 10242 10239 10 10248 10245 9
10251 10245 9 10251 10248 10 10257 10254 9 10260
10254 9 10260 10257 10 10266 10263 9 10269 10263
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10278 10275 10 10284 10281 9 10287 10281 9 10287
10284 10 10293 10290 9 10296 10290 9 10296 10293
10 10302 10299 9 10305 10299 9 10305 10302 10
10311 10308 9 10314 10308 9 10314 10311 10 10320
10317 9 10323 10317 9 10323 10320 10 10329 10326
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10368 10365 10 10374 10371 9 10377 10371 9 10377
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10401 10398 9 10404 10398 9 10404 10401 10 10410
10407 9 10413 10407 9 10413 10410 10 10419 10416
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10431 10425 9 10431 10428 10 10437 10434 9 10440
10434 9 10440 10437 10 10446 10443 9 10449 10443
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10458 10455 10 10464 10461 9 10467 10461 9 10467
10464 10 10473 10470 9 10476 10470 9 10476 10473
10 10482 10479 9 10485 10479 9 10485 10482 10
10491 10488 9 10494 10488 9 10494 10491 10 10500
10497 9 10503 10497 9 10503 10500 10 10509 10506
9 10512 10506 9 10512 10509 10 10518 10515 9
10521 10515 9 10521 10518 10 10527 10524 9 10530
10524 9 10530 10527 10 10536 10533 9 10539 10533
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10548 10545 10 10554 10551 9 10557 10551 9 10557
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10 10572 10569 9 10575 10569 9 10575 10572 10
10581 10578 9 10584 10578 9 10584 10581 10 10590
10587 9 10593 10587 9 10593 10590 10 10599 10596
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10611 10605 9 10611 10608 10 10617 10614 9 10620
10614 9 10620 10617 10 10626 10623 9 10629 10623
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10638 10635 10 10644 10641 9 10647 10641 9 10647
10644 10 10653 10650 9 10656 10650 9 10656 10653
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10671 10668 9 10674 10668 9 10674 10671 10 10680
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10728 10725 10 10734 10731 9 10737 10731 9 10737
10734 10 10743 10740 9 10746 10740 9 10746 10743
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10767 9 10773 10767 9 10773 10770 10 10779 10776
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10818 10815 10 10824 10821 9 10827 10821 9 10827
10824 10 10833 10830 9 10836 10830 9 10836 10833
10 10842 10839 9 10845 10839 9 10845 10842 10
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9 10899 10896 10 10905 10902 9 10908 10902 9
10908 10905 10 10914 10911 9 10917 10911 9 10917
10914 10 10923 10920 9 10926 10920 9 10926 10923
10 10932 10929 9 10935 10929 9 10935 10932 10
10941 10938 9 10944 10938 9 10944 10941 10 10950
10947 9 10953 10947 9 10953 10950 10 10959 10956
9 10962 10956 9 10962 10959 10 10968 10965 9
10971 10965 9 10971 10968 10 10977 10974 9 10980
10974 9 10980 10977 10 10986 10983 9 10989 10983
9 10989 10986 10 10995 10992 9 10998 10992 9
10998 10995 10 11004 11001 9 11007 11001 9 11007
11004 10 11013 11010 9 11016 11010 9 11016 11013
10 11022 11019 9 11025 11019 9 11025 11022 10
11031 11028 9 11034 11028 9 11034 11031 10 11040
11037 9 11043 11037 9 11043 11040 10 11049 11046
9 11052 11046 9 11052 11049 10 11058 11055 9
11061 11055 9 11061 11058 10 11067 11064 9 11070
11064 9 11070 11067 10 11076 11073 9 11079 11073
9 11079 11076 10 11085 11082 9 11088 11082 9
11088 11085 10 11094 11091 9 11097 11091 9 11097
11094 10 11103 11100 9 11106 11100 9 11106 11103
10 11112 11109 9 11115 11109 9 11115 11112 10
11121 11118 9 11124 11118 9 11124 11121 10 11130
11127 9 11133 11127 9 11133 11130 10 11139 11136
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11184 10 11193 11190 9 11196 11190 9 11196 11193
10 11202 11199 9 11205 11199 9 11205 11202 10
11211 11208 9 11214 11208 9 11214 11211 10 11220
11217 9 11223 11217 9 11223 11220 10 11229 11226
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11241 11235 9 11241 11238 10 11247 11244 9 11250
11244 9 11250 11247 10 11256 11253 9 11259 11253
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11268 11265 10 11274 11271 9 11277 11271 9 11277
11274 10 11283 11280 9 11286 11280 9 11286 11283
10 11292 11289 9 11295 11289 9 11295 11292 10
11301 11298 9 11304 11298 9 11304 11301 10 11310
11307 9 11313 11307 9 11313 11310 10 11319 11316
9 11322 11316 9 11322 11319 10 11328 11325 9
11331 11325 9 11331 11328 10 11337 11334 9 11340
11334 9 11340 11337 10 11346 11343 9 11349 11343
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11364 10 11373 11370 9 11376 11370 9 11376 11373
10 11382 11379 9 11385 11379 9 11385 11382 10
11391 11388 9 11394 11388 9 11394 11391 10 11400
11397 9 11403 11397 9 11403 11400 10 11409 11406
9 11412 11406 9 11412 11409 10 11418 11415 9
11421 11415 9 11421 11418 10 11427 11424 9 11430
11424 9 11430 11427 10 11436 11433 9 11439 11433
9 11439 11436 10 11445 11442 9 11448 11442 9
11448 11445 10 11454 11451 9 11457 11451 9 11457
11454 10 11463 11460 9 11466 11460 9 11466 11463
10 11472 11469 9 11475 11469 9 11475 11472 10
11481 11478 9 11484 11478 9 11484 11481 10 11490
11487 9 11493 11487 9 11493 11490 10 11499 11496
9 11502 11496 9 11502 11499 10 11508 11505 9
11511 11505 9 11511 11508 10 11517 11514 9 11520
11514 9 11520 11517 10 11526 11523 9 11529 11523
9 11529 11526 10 11535 11532 9 11538 11532 9
11538 11535 10 11544 11541 9 11547 11541 9 11547
11544 10 11553 11550 9 11556 11550 9 11556 11553
10 11562 11559 9 11565 11559 9 11565 11562 10
11571 11568 9 11574 11568 9 11574 11571 10 11580
11577 9 11583 11577 9 11583 11580 10 11589 11586
9 11592 11586 9 11592 11589 10 11598 11595 9
11601 11595 9 11601 11598 10 11607 11604 9 11610
11604 9 11610 11607 10 11616 11613 9 11619 11613
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11628 11625 10 11634 11631 9 11637 11631 9 11637
11634 10 11643 11640 9 11646 11640 9 11646 11643
10 11652 11649 9 11655 11649 9 11655 11652 10
11661 11658 9 11664 11658 9 11664 11661 10 11670
11667 9 11673 11667 9 11673 11670 10 11679 11676
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11694 9 11700 11697 10 11706 11703 9 11709 11703
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11718 11715 10 11724 11721 9 11727 11721 9 11727
11724 10 11733 11730 9 11736 11730 9 11736 11733
10 11742 11739 9 11745 11739 9 11745 11742 10
11751 11748 9 11754 11748 9 11754 11751 10 11760
11757 9 11763 11757 9 11763 11760 10 11769 11766
9 11772 11766 9 11772 11769 10 11778 11775 9
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11784 9 11790 11787 10 11796 11793 9 11799 11793
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11814 10 11823 11820 9 11826 11820 9 11826 11823
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11847 9 11853 11847 9 11853 11850 10 11859 11856
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11904 10 11913 11910 9 11916 11910 9 11916 11913
10 11922 11919 9 11925 11919 9 11925 11922 10
11931 11928 9 11934 11928 9 11934 11931 10 11940
11937 9 11943 11937 9 11943 11940 10 11949 11946
9 11952 11946 9 11952 11949 10 11958 11955 9
11961 11955 9 11961 11958 10 11967 11964 9 11970
11964 9 11970 11967 10 11976 11973 9 11979 11973
9 11979 11976 10 11985 11982 9 11988 11982 9
11988 11985 10 11994 11991 9 11997 11991 9 11997
11994 10 12003 12000 9 12006 12000 9 12006 12003
10 12012 12009 9 12015 12009 9 12015 12012 10
12021 12018 9 12024 12018 9 12024 12021 10 12030
12027 9 12033 12027 9 12033 12030 10 12039 12036
9 12042 12036 9 12042 12039 10 12048 12045 9
12051 12045 9 12051 12048 10 12057 12054 9 12060
12054 9 12060 12057 10 12066 12063 9 12069 12063
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12078 12075 10 12084 12081 9 12087 12081 9 12087
12084 10 12093 12090 9 12096 12090 9 12096 12093
10 12102 12099 9 12105 12099 9 12105 12102 10
12111 12108 9 12114 12108 9 12114 12111 10 12120
12117 9 12123 12117 9 12123 12120 10 12129 12126
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12141 12135 9 12141 12138 10 12147 12144 9 12150
12144 9 12150 12147 10 12156 12153 9 12159 12153
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12168 12165 10 12174 12171 9 12177 12171 9 12177
12174 10 12183 12180 9 12186 12180 9 12186 12183
10 12192 12189 9 12195 12189 9 12195 12192 10
12201 12198 9 12204 12198 9 12204 12201 10 12210
12207 9 12213 12207 9 12213 12210 10 12219 12216
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12234 9 12240 12237 10 12246 12243 9 12249 12243
9 12249 12246 10 12255 12252 9 12258 12252 9
12258 12255 10 12264 12261 9 12267 12261 9 12267
12264 10 12273 12270 9 12276 12270 9 12276 12273
10 12282 12279 9 12285 12279 9 12285 12282 10
12291 12288 9 12294 12288 9 12294 12291 10 12300
12297 9 12303 12297 9 12303 12300 10 12309 12306
9 12312 12306 9 12312 12309 10 12318 12315 9
12321 12315 9 12321 12318 10 12327 12324 9 12330
12324 9 12330 12327 10 12336 12333 9 12339 12333
9 12339 12336 10 12345 12342 9 12348 12342 9
12348 12345 10 12354 12351 9 12357 12351 9 12357
12354 10 12363 12360 9 12366 12360 9 12366 12363
10 12372 12369 9 12375 12369 9 12375 12372 10
12381 12378 9 12384 12378 9 12384 12381 10 12390
12387 9 12393 12387 9 12393 12390 10 12399 12396
9 12402 12396 9 12402 12399 10 12408 12405 9
12411 12405 9 12411 12408 10 12417 12414 9 12420
12414 9 12420 12417 10 12426 12423 9 12429 12423
9 12429 12426 10 12435 12432 9 12438 12432 9
12438 12435 10 12444 12441 9 12447 12441 9 12447
12444 10 12453 12450 9 12456 12450 9 12456 12453
10 12462 12459 9 12465 12459 9 12465 12462 10
12471 12468 9 12474 12468 9 12474 12471 10 12480
12477 9 12483 12477 9 12483 12480 10 12489 12486
9 12492 12486 9 12492 12489 10 12498 12495 9
12501 12495 9 12501 12498 10 12507 12504 9 12510
12504 9 12510 12507 10 12516 12513 9 12519 12513
9 12519 12516 10 12525 12522 9 12528 12522 9
12528 12525 10 12534 12531 9 12537 12531 9 12537
12534 10 12543 12540 9 12546 12540 9 12546 12543
10 12552 12549 9 12555 12549 9 12555 12552 10
12561 12558 9 12564 12558 9 12564 12561 10 12570
12567 9 12573 12567 9 12573 12570 10 12579 12576
9 12582 12576 9 12582 12579 10 12588 12585 9
12591 12585 9 12591 12588 10 12597 12594 9 12600
12594 9 12600 12597 10 12606 12603 9 12609 12603
9 12609 12606 10 12615 12612 9 12618 12612 9
12618 12615 10 12624 12621 9 12627 12621 9 12627
12624 10 12633 12630 9 12636 12630 9 12636 12633
10 12642 12639 9 12645 12639 9 12645 12642 10
12651 12648 9 12654 12648 9 12654 12651 10 12660
12657 9 12663 12657 9 12663 12660 10 12669 12666
9 12672 12666 9 12672 12669 10 12678 12675 9
12681 12675 9 12681 12678 10 12687 12684 9 12690
12684 9 12690 12687 10 12696 12693 9 12699 12693
9 12699 12696 10 12705 12702 9 12708 12702 9
12708 12705 10 12714 12711 9 12717 12711 9 12717
12714 10 12723 12720 9 12726 12720 9 12726 12723
10 12732 12729 9 12735 12729 9 12735 12732 10
12741 12738 9 12744 12738 9 12744 12741 10 12750
12747 9 12753 12747 9 12753 12750 10 12759 12756
9 12762 12756 9 12762 12759 10 12768 12765 9
12771 12765 9 12771 12768 10 12777 12774 9 12780
12774 9 12780 12777 10 12786 12783 9 12789 12783
9 12789 12786 10 12795 12792 9 12798 12792 9
12798 12795 10 12804 12801 9 12807 12801 9 12807
12804 10 12813 12810 9 12816 12810 9 12816 12813
10 12822 12819 9 12825 12819 9 12825 12822 10
12831 12828 9 12834 12828 9 12834 12831 10 12840
12837 9 12843 12837 9 12843 12840 10 12849 12846
9 12852 12846 9 12852 12849 10 12858 12855 9
12861 12855 9 12861 12858 10 12867 12864 9 12870
12864 9 12870 12867 10 12876 12873 9 12879 12873
9 12879 12876 10 12885 12882 9 12888 12882 9
12888 12885 10 12894 12891 9 12897 12891 9 12897
12894 10 12903 12900 9 12906 12900 9 12906 12903
10 12912 12909 9 12915 12909 9 12915 12912 10
12921 12918 9 12924 12918 9 12924 12921 10 12930
12927 9 12933 12927 9 12933 12930 10 12939 12936
9 12942 12936 9 12942 12939 10 12948 12945 9
12951 12945 9 12951 12948 10 12957 12954 9 12960
12954 9 12960 12957 10 12966 12963 9 12969 12963
9 12969 12966 10 12975 12972 9 12978 12972 9
12978 12975 10 12984 12981 9 12987 12981 9 12987
12984 10 12993 12990 9 12996 12990 9 12996 12993
10 13002 12999 9 13005 12999 9 13005 13002 10
13011 13008 9 13014 13008 9 13014 13011 10 13020
13017 9 13023 13017 9 13023 13020 10 13029 13026
9 13032 13026 9 13032 13029 10 13038 13035 9
13041 13035 9 13041 13038 10 13047 13044 9 13050
13044 9 13050 13047 10 13056 13053 9 13059 13053
9 13059 13056 10 13065 13062 9 13068 13062 9
13068 13065 10 13074 13071 9 13077 13071 9 13077
13074 10 13083 13080 9 13086 13080 9 13086 13083
10 13092 13089 9 13095 13089 9 13095 13092 10
13101 13098 9 13104 13098 9 13104 13101 10 13110
13107 9 13113 13107 9 13113 13110 10 13119 13116
9 13122 13116 9 13122 13119 10 13128 13125 9
13131 13125 9 13131 13128 10 13137 13134 9 13140
13134 9 13140 13137 10 13146 13143 9 13149 13143
9 13149 13146 10 13155 13152 9 13158 13152 9
13158 13155 10 13164 13161 9 13167 13161 9 13167
13164 10 13173 13170 9 13176 13170 9 13176 13173
10 13182 13179 9 13185 13179 9 13185 13182 10
13191 13188 9 13194 13188 9 13194 13191 10 13200
13197 9 13203 13197 9 13203 13200 10 13209 13206
9 13212 13206 9 13212 13209 10 13218 13215 9
13221 13215 9 13221 13218 10 13227 13224 9 13230
13224 9 13230 13227 10 13236 13233 9 13239 13233
9 13239 13236 10 13245 13242 9 13248 13242 9
13248 13245 10 13254 13251 9 13257 13251 9 13257
13254 10 13263 13260 9 13266 13260 9 13266 13263
10 13272 13269 9 13275 13269 9 13275 13272 10
13281 13278 9 13284 13278 9 13284 13281 10 13290
13287 9 13293 13287 9 13293 13290 10 13299 13296
9 13302 13296 9 13302 13299 10 13308 13305 9
13311 13305 9 13311 13308 10 13317 13314 9 13320
13314 9 13320 13317 10 13326 13323 9 13329 13323
9 13329 13326 10 13335 13332 9 13338 13332 9
13338 13335 10 13344 13341 9 13347 13341 9 13347
13344 10 13353 13350 9 13356 13350 9 13356 13353
10 13362 13359 9 13365 13359 9 13365 13362 10
13371 13368 9 13374 13368 9 13374 13371 10 13380
13377 9 13383 13377 9 13383 13380 10 13389 13386
9 13392 13386 9 13392 13389 10 13398 13395 9
13401 13395 9 13401 13398 10 13407 13404 9 13410
13404 9 13410 13407 10 13416 13413 9 13419 13413
9 13419 13416 10 13425 13422 9 13428 13422 9
13428 13425 10 13434 13431 9 13437 13431 9 13437
13434 10 13443 13440 9 13446 13440 9 13446 13443
10 13452 13449 9 13455 13449 9 13455 13452 10
13461 13458 9 13464 13458 9 13464 13461 10 13470
13467 9 13473 13467 9 13473 13470 10 13479 13476
9 13482 13476 9 13482 13479 10 13488 13485 9
13491 13485 9 13491 13488 10 13497 13494 9 13500
13494 9 13500 13497 10 13506 13503 9 13509 13503
9 13509 13506 10 13515 13512 9 13518 13512 9
13518 13515 10 13524 13521 9 13527 13521 9 13527
13524 10 13533 13530 9 13536 13530 9 13536 13533
10 13542 13539 9 13545 13539 9 13545 13542 10
13551 13548 9 13554 13548 9 13554 13551 10 13560
13557 9 13563 13557 9 13563 13560 10 13569 13566
9 13572 13566 9 13572 13569 10 13578 13575 9
13581 13575 9 13581 13578 10 13587 13584 9 13590
13584 9 13590 13587 10 13596 13593 9 13599 13593
9 13599 13596 10 13605 13602 9 13608 13602 9
13608 13605 10 13614 13611 9 13617 13611 9 13617
13614 10 13623 13620 9 13626 13620 9 13626 13623
10 13632 13629 9 13635 13629 9 13635 13632 10
13641 13638 9 13644 13638 9 13644 13641 10 13650
13647 9 13653 13647 9 13653 13650 10 13659 13656
9 13662 13656 9 13662 13659 10 13668 13665 9
13671 13665 9 13671 13668 10 13677 13674 9 13680
13674 9 13680 13677 10 13686 13683 9 13689 13683
9 13689 13686 10 13695 13692 9 13698 13692 9
13698 13695 10 13704 13701 9 13707 13701 9 13707
13704 10 13713 13710 9 13716 13710 9 13716 13713
10 13722 13719 9 13725 13719 9 13725 13722 10
13731 13728 9 13734 13728 9 13734 13731 10 13740
13737 9 13743 13737 9 13743 13740 10 13749 13746
9 13752 13746 9 13752 13749 10 13758 13755 9
13761 13755 9 13761 13758 10 13767 13764 9 13770
13764 9 13770 13767 10 13776 13773 9 13779 13773
9 13779 13776 10 13785 13782 9 13788 13782 9
13788 13785 10
%FLAG BONDS_WITHOUT_HYDROGEN
%FORMAT(10I8)
3 6 1 60 63 3 51 54 4 51
57 4 42 48 3 42 51 6 36 42
7 36 60 3 24 30 1 24 36 7
12 18 1 12 24 7 6 12 7 6
48 3 117 120 3 108 111 4 108 114
4 99 105 3 99 108 6 93 99 7
93 117 3 81 87 1 81 93 7 69
75 1 69 81 7 63 69 7 63 105
3 174 177 3 165 168 4 165 171 4
156 162 3 156 165 6 150 156 7 150
174 3 138 144 1 138 150 7 126 132
1 126 138 7 120 126 7 120 162 3
231 234 3 222 225 4 222 228 4 213
219 3 213 222 6 207 213 7 207 231
3 195 201 1 195 207 7 183 189 1
183 195 7 177 183 7 177 219 3 285
288 4 285 291 4 276 282 3 276 285
6 264 270 1 264 276 7 252 258 1
252 264 7 240 246 1 240 252 7 234
240 7 234 282 3
%FLAG ANGLES_INC_HYDROGEN
%FORMAT(10I8)
3 6 9 1 0 3 6 4 60 63
66 5 45 42 48 10 45 42 51 11
39 36 42 13 39 36 60 10 36 42
45 13 27 24 30 16 27 24 36 13
24 30 33 4 24 36 39 13 15 12
18 16 15 12 24 13 12 18 21 4
12 24 27 13 9 6 12 18 9 6
48 5 6 12 15 13 117 120 123 5
102 99 105 10 102 99 108 11 96 93
99 13 96 93 117 10 93 99 102 13
84 81 87 16 84 81 93 13 81 87
90 4 81 93 96 13 72 69 75 16
72 69 81 13 69 75 78 4 69 81
84 13 66 63 69 18 66 63 105 5
63 69 72 13 174 177 180 5 159 156
162 10 159 156 165 11 153 150 156 13
153 150 174 10 150 156 159 13 141 138
144 16 141 138 150 13 138 144 147 4
138 150 153 13 129 126 132 16 129 126
138 13 126 132 135 4 126 138 141 13
123 120 126 18 123 120 162 5 120 126
129 13 231 234 237 5 216 213 219 10
216 213 222 11 210 207 213 13 210 207
231 10 207 213 216 13 198 195 201 16
198 195 207 13 195 201 204 4 195 207
210 13 186 183 189 16 186 183 195 13
183 189 192 4 183 195 198 13 180 177
183 18 180 177 219 5 177 183 186 13
279 276 282 10 279 276 285 11 267 264
270 16 267 264 276 13 264 270 273 4
264 276 279 13 255 252 258 16 255 252
264 13 252 258 261 4 252 264 267 13
243 240 246 16 243 240 252 13 240 246
249 4 240 252 255 13 237 234 240 18
237 234 282 5 234 240 243 13
%FLAG ANGLES_WITHOUT_HYDROGEN
%FORMAT(10I8)
3 6 12 2 3 6 48 3 60 63
69 6 60 63 105 7 54 51 57 8
48 42 51 9 42 36 60 6 42 51
54 12 42 51 57 12 36 42 48 6
36 42 51 14 36 60 63 15 30 24
36 2 24 36 42 17 24 36 60 6
18 12 24 2 12 6 48 6 12 24
30 2 12 24 36 17 6 12 18 2
6 12 24 17 6 48 42 15 117 120
126 6 117 120 162 7 111 108 114 8
105 99 108 9 99 93 117 6 99 108
111 12 99 108 114 12 93 99 105 6
93 99 108 14 93 117 120 15 87 81
93 2 81 93 99 17 81 93 117 6
75 69 81 2 69 63 105 6 69 81
87 2 69 81 93 17 63 69 75 2
63 69 81 17 63 105 99 15 174 177
183 6 174 177 219 7 168 165 171 8
162 156 165 9 156 150 174 6 156 165
168 12 156 165 171 12 150 156 162 6
150 156 165 14 150 174 177 15 144 138
150 2 138 150 156 17 138 150 174 6
132 126 138 2 126 120 162 6 126 138
144 2 126 138 150 17 120 126 132 2
120 126 138 17 120 162 156 15 231 234
240 6 231 234 282 7 225 222 228 8
219 213 222 9 213 207 231 6 213 222
225 12 213 222 228 12 207 213 219 6
207 213 222 14 207 231 234 15 201 195
207 2 195 207 213 17 195 207 231 6
189 183 195 2 183 177 219 6 183 195
201 2 183 195 207 17 177 183 189 2
177 183 195 17 177 219 213 15 288 285
291 8 282 276 285 9 276 285 288 12
276 285 291 12 270 264 276 2 264 276
282 6 264 276 285 14 258 252 264 2
252 264 270 2 252 264 276 17 246 240
252 2 240 234 282 6 240 252 258 2
240 252 264 17 234 240 246 2 234 240
252 17 234 282 276 15
%FLAG DIHEDRALS_INC_HYDROGEN
%FORMAT(10I8)
3 6 12 15 1 0 3 6 9 9
0 3 6 12 9 0 3 6 48 9
60 63 69 72 1 45 42 36 60 1
45 42 51 54 18 45 42 51 57 18
39 36 42 45 20 39 36 42 48 1
39 36 42 51 5 39 36 60 63 21
36 60 63 66 23 36 60 -63 66 5
33 30 24 36 9 30 24 36 39 1
27 24 30 33 9 27 24 36 39 20
27 24 36 42 24 27 24 36 60 1
24 36 42 45 24 21 18 12 24 9
18 12 24 27 1 15 12 6 48 1
15 12 18 21 9 15 12 24 27 20
15 12 24 30 1 15 12 24 36 24
12 24 30 33 9 12 24 36 39 24
9 6 12 15 20 9 6 12 18 1
9 6 12 24 24 9 6 48 42 23
9 6 -48 42 5 6 12 18 21 9
6 12 24 27 24 6 48 42 45 21
117 120 126 129 1 102 99 93 117 1
102 99 108 111 18 102 99 108 114 18
96 93 99 102 20 96 93 99 105 1
96 93 99 108 5 96 93 117 120 21
93 117 120 123 23 93 117 -120 123 5
90 87 81 93 9 87 81 93 96 1
84 81 87 90 9 84 81 93 96 20
84 81 93 99 24 84 81 93 117 1
81 93 99 102 24 78 75 69 81 9
75 69 81 84 1 72 69 63 105 1
72 69 75 78 9 72 69 81 84 20
72 69 81 87 1 72 69 81 93 24
69 81 87 90 9 69 81 93 96 24
66 63 69 72 20 66 63 69 75 1
66 63 69 81 24 66 63 105 99 23
66 63 -105 99 5 63 69 75 78 9
63 69 81 84 24 63 105 99 102 21
174 177 183 186 1 159 156 150 174 1
159 156 165 168 18 159 156 165 171 18
153 150 156 159 20 153 150 156 162 1
153 150 156 165 5 153 150 174 177 21
150 174 177 180 23 150 174 -177 180 5
147 144 138 150 9 144 138 150 153 1
141 138 144 147 9 141 138 150 153 20
141 138 150 156 24 141 138 150 174 1
138 150 156 159 24 135 132 126 138 9
132 126 138 141 1 129 126 120 162 1
129 126 132 135 9 129 126 138 141 20
129 126 138 144 1 129 126 138 150 24
126 138 144 147 9 126 138 150 153 24
123 120 126 129 20 123 120 126 132 1
123 120 126 138 24 123 120 162 156 23
123 120 -162 156 5 120 126 132 135 9
120 126 138 141 24 120 162 156 159 21
231 234 240 243 1 216 213 207 231 1
216 213 222 225 18 216 213 222 228 18
210 207 213 216 20 210 207 213 219 1
210 207 213 222 5 210 207 231 234 21
207 231 234 237 23 207 231 -234 237 5
204 201 195 207 9 201 195 207 210 1
198 195 201 204 9 198 195 207 210 20
198 195 207 213 24 198 195 207 231 1
195 207 213 216 24 192 189 183 195 9
189 183 195 198 1 186 183 177 219 1
186 183 189 192 9 186 183 195 198 20
186 183 195 201 1 186 183 195 207 24
183 195 201 204 9 183 195 207 210 24
180 177 183 186 20 180 177 183 189 1
180 177 183 195 24 180 177 219 213 23
180 177 -219 213 5 177 183 189 192 9
177 183 195 198 24 177 219 213 216 21
279 276 285 288 18 279 276 285 291 18
273 270 264 276 9 270 264 276 279 1
267 264 270 273 9 267 264 276 279 20
267 264 276 282 1 267 264 276 285 5
261 258 252 264 9 258 252 264 267 1
255 252 258 261 9 255 252 264 267 20
255 252 264 270 1 255 252 264 276 24
252 264 270 273 9 252 264 276 279 24
249 246 240 252 9 246 240 252 255 1
243 240 234 282 1 243 240 246 249 9
243 240 252 255 20 243 240 252 258 1
243 240 252 264 24 240 252 258 261 9
240 252 264 267 24 237 234 240 243 20
237 234 240 246 1 237 234 240 252 24
237 234 282 276 23 237 234 -282 276 5
234 240 246 249 9 234 240 252 255 24
234 282 276 279 21
%FLAG DIHEDRALS_WITHOUT_HYDROGEN
%FORMAT(10I8)
3 6 12 18 2 3 6 -12 18 3
3 6 -12 18 4 3 6 12 24 5
3 6 48 42 6 3 6 -48 42 7
3 6 -48 42 8 60 63 69 75 10
60 63 -69 75 11 60 63 69 81 12
60 63 105 99 6 60 63 -105 99 7
60 63 -105 99 8 51 42 36 60 13
51 42 -36 60 14 51 42 -36 60 15
48 42 36 60 16 48 42 51 54 17
48 42 51 57 17 42 36 60 63 19
36 42 51 54 22 36 42 51 57 22
36 60 63 69 19 36 60 63 105 6
36 60 -63 105 7 36 60 -63 105 8
30 24 36 42 5 30 24 36 60 10
30 24 -36 60 11 24 12 6 48 12
24 36 -42 48 12 24 36 42 51 25
24 36 60 63 19 18 12 6 48 10
18 12 -6 48 11 18 12 24 30 2
18 12 -24 30 3 18 12 -24 30 4
18 12 24 36 5 12 6 48 42 19
12 24 -36 42 25 12 24 36 60 12
6 12 24 30 5 6 12 24 36 25
6 48 -42 36 19 6 48 42 51 18
6 48 -42 51 26 117 120 126 132 10
117 120 -126 132 11 117 120 126 138 12
117 120 162 156 6 117 120 -162 156 7
117 120 -162 156 8 108 99 93 117 13
108 99 -93 117 14 108 99 -93 117 15
105 99 93 117 16 105 99 108 111 17
105 99 108 114 17 99 93 117 120 19
93 99 108 111 22 93 99 108 114 22
93 117 120 126 19 93 117 120 162 6
93 117 -120 162 7 93 117 -120 162 8
87 81 93 99 5 87 81 93 117 10
87 81 -93 117 11 81 69 63 105 12
81 93 -99 105 12 81 93 99 108 25
81 93 117 120 19 75 69 63 105 10
75 69 -63 105 11 75 69 81 87 2
75 69 -81 87 3 75 69 -81 87 4
75 69 81 93 5 69 63 105 99 19
69 81 -93 99 25 69 81 93 117 12
63 69 81 87 5 63 69 81 93 25
63 105 -99 93 19 63 105 99 108 18
63 105 -99 108 26 174 177 183 189 10
174 177 -183 189 11 174 177 183 195 12
174 177 219 213 6 174 177 -219 213 7
174 177 -219 213 8 165 156 150 174 13
165 156 -150 174 14 165 156 -150 174 15
162 156 150 174 16 162 156 165 168 17
162 156 165 171 17 156 150 174 177 19
150 156 165 168 22 150 156 165 171 22
150 174 177 183 19 150 174 177 219 6
150 174 -177 219 7 150 174 -177 219 8
144 138 150 156 5 144 138 150 174 10
144 138 -150 174 11 138 126 120 162 12
138 150 -156 162 12 138 150 156 165 25
138 150 174 177 19 132 126 120 162 10
132 126 -120 162 11 132 126 138 144 2
132 126 -138 144 3 132 126 -138 144 4
132 126 138 150 5 126 120 162 156 19
126 138 -150 156 25 126 138 150 174 12
120 126 138 144 5 120 126 138 150 25
120 162 -156 150 19 120 162 156 165 18
120 162 -156 165 26 231 234 240 246 10
231 234 -240 246 11 231 234 240 252 12
231 234 282 276 6 231 234 -282 276 7
231 234 -282 276 8 222 213 207 231 13
222 213 -207 231 14 222 213 -207 231 15
219 213 207 231 16 219 213 222 225 17
219 213 222 228 17 213 207 231 234 19
207 213 222 225 22 207 213 222 228 22
207 231 234 240 19 207 231 234 282 6
207 231 -234 282 7 207 231 -234 282 8
201 195 207 213 5 201 195 207 231 10
201 195 -207 231 11 195 183 177 219 12
195 207 -213 219 12 195 207 213 222 25
195 207 231 234 19 189 183 177 219 10
189 183 -177 219 11 189 183 195 201 2
189 183 -195 201 3 189 183 -195 201 4
189 183 195 207 5 183 177 219 213 19
183 195 -207 213 25 183 195 207 231 12
177 183 195 201 5 177 183 195 207 25
177 219 -213 207 19 177 219 213 222 18
177 219 -213 222 26 282 276 285 288 17
282 276 285 291 17 270 264 276 282 10
270 264 -276 282 11 270 264 276 285 27
270 264 -276 285 28 270 264 -276 285 5
264 276 285 288 22 264 276 285 291 22
258 252 264 270 2 258 252 -264 270 3
258 252 -264 270 4 258 252 264 276 5
252 240 234 282 12 252 264 -276 282 12
252 264 276 285 25 246 240 234 282 10
246 240 -234 282 11 246 240 252 258 2
246 240 -252 258 3 246 240 -252 258 4
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240 252 264 270 5 240 252 -264 276 25
234 240 252 258 5 234 240 252 264 25
234 282 -276 264 19 234 282 276 285 18
234 282 -276 285 26 42 54 -51 -57 29
99 111 -108 -114 29 156 168 -165 -171 29
213 225 -222 -228 29 276 288 -285 -291 29
%FLAG EXCLUDED_ATOMS_LIST
%FORMAT(10I8)
2 3 4 5 17 3 4 5 6 7
9 15 17 4 5 6 7 8 9 10
11 13 15 16 17 18 5 6 7 9
15 17 6 7 8 9 10 11 12 13
14 15 17 21 7 8 9 10 11 13
17 8 9 10 11 13 17 9 10 11
12 13 14 15 16 17 18 21 22 11
12 13 14 15 21 12 13 14 15 21
13 14 15 16 17 18 19 20 21 22
23 24 36 15 16 17 18 21 22 16
17 18 19 20 21 22 17 18 19 20
21 18 19 20 21 19 20 21 20 0
22 23 24 25 26 28 34 36 23 24
25 26 27 28 29 30 32 34 35 36
37 24 25 26 28 34 36 25 26 27
28 29 30 31 32 33 34 36 40 26
27 28 29 30 32 36 27 28 29 30
32 36 28 29 30 31 32 33 34 35
36 37 40 41 30 31 32 33 34 40
31 32 33 34 40 32 33 34 35 36
37 38 39 40 41 42 43 55 34 35
36 37 40 41 35 36 37 38 39 40
41 36 37 38 39 40 37 38 39 40
38 39 40 39 0 41 42 43 44 45
47 53 55 42 43 44 45 46 47 48
49 51 53 54 55 56 43 44 45 47
53 55 44 45 46 47 48 49 50 51
52 53 55 59 45 46 47 48 49 51
55 46 47 48 49 51 55 47 48 49
50 51 52 53 54 55 56 59 60 49
50 51 52 53 59 50 51 52 53 59
51 52 53 54 55 56 57 58 59 60
61 62 74 53 54 55 56 59 60 54
55 56 57 58 59 60 55 56 57 58
59 56 57 58 59 57 58 59 58 0
60 61 62 63 64 66 72 74 61 62
63 64 65 66 67 68 70 72 73 74
75 62 63 64 66 72 74 63 64 65
66 67 68 69 70 71 72 74 78 64
65 66 67 68 70 74 65 66 67 68
70 74 66 67 68 69 70 71 72 73
74 75 78 79 68 69 70 71 72 78
69 70 71 72 78 70 71 72 73 74
75 76 77 78 79 80 81 95 72 73
74 75 78 79 73 74 75 76 77 78
79 74 75 76 77 78 75 76 77 78
76 77 78 77 0 79 80 81 82 83
85 93 95 80 81 82 83 84 85 86
87 89 93 94 95 96 81 82 83 85
93 95 82 83 84 85 86 87 88 89
90 91 93 95 83 84 85 86 87 89
95 84 85 86 87 89 95 85 86 87
88 89 90 91 92 93 94 95 96 87
88 89 90 91 93 88 89 90 91 93
89 90 91 92 93 94 95 96 97 98
91 92 93 94 95 96 92 93 94 95
96 93 94 95 96 97 98 95 96 97
98 96 97 98 97 98 98 0 0 0
0 0 0 105 106 106 0 108 109 109
0 111 112 112 0 114 115 115 0 117
118 118 0 120 121 121 0 123 124 124
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133 133 0 135 136 136 0 138 139 139
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148 148 0 150 151 151 0 153 154 154
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163 163 0 165 166 166 0 168 169 169
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178 178 0 180 181 181 0 183 184 184
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193 193 0 195 196 196 0 198 199 199
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493 493 0 495 496 496 0 498 499 499
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523 523 0 525 526 526 0 528 529 529
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538 538 0 540 541 541 0 543 544 544
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553 553 0 555 556 556 0 558 559 559
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568 568 0 570 571 571 0 573 574 574
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613 613 0 615 616 616 0 618 619 619
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628 628 0 630 631 631 0 633 634 634
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643 643 0 645 646 646 0 648 649 649
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673 673 0 675 676 676 0 678 679 679
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688 688 0 690 691 691 0 693 694 694
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703 703 0 705 706 706 0 708 709 709
0 711 712 712 0 714 715 715 0 717
718 718 0 720 721 721 0 723 724 724
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763 763 0 765 766 766 0 768 769 769
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838 838 0 840 841 841 0 843 844 844
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853 853 0 855 856 856 0 858 859 859
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4063 4063 0 4065 4066 4066 0 4068 4069 4069
0 4071 4072 4072 0 4074 4075 4075 0 4077
4078 4078 0 4080 4081 4081 0 4083 4084 4084
0 4086 4087 4087 0 4089 4090 4090 0 4092
4093 4093 0 4095 4096 4096 0 4098 4099 4099
0 4101 4102 4102 0 4104 4105 4105 0 4107
4108 4108 0 4110 4111 4111 0 4113 4114 4114
0 4116 4117 4117 0 4119 4120 4120 0 4122
4123 4123 0 4125 4126 4126 0 4128 4129 4129
0 4131 4132 4132 0 4134 4135 4135 0 4137
4138 4138 0 4140 4141 4141 0 4143 4144 4144
0 4146 4147 4147 0 4149 4150 4150 0 4152
4153 4153 0 4155 4156 4156 0 4158 4159 4159
0 4161 4162 4162 0 4164 4165 4165 0 4167
4168 4168 0 4170 4171 4171 0 4173 4174 4174
0 4176 4177 4177 0 4179 4180 4180 0 4182
4183 4183 0 4185 4186 4186 0 4188 4189 4189
0 4191 4192 4192 0 4194 4195 4195 0 4197
4198 4198 0 4200 4201 4201 0 4203 4204 4204
0 4206 4207 4207 0 4209 4210 4210 0 4212
4213 4213 0 4215 4216 4216 0 4218 4219 4219
0 4221 4222 4222 0 4224 4225 4225 0 4227
4228 4228 0 4230 4231 4231 0 4233 4234 4234
0 4236 4237 4237 0 4239 4240 4240 0 4242
4243 4243 0 4245 4246 4246 0 4248 4249 4249
0 4251 4252 4252 0 4254 4255 4255 0 4257
4258 4258 0 4260 4261 4261 0 4263 4264 4264
0 4266 4267 4267 0 4269 4270 4270 0 4272
4273 4273 0 4275 4276 4276 0 4278 4279 4279
0 4281 4282 4282 0 4284 4285 4285 0 4287
4288 4288 0 4290 4291 4291 0 4293 4294 4294
0 4296 4297 4297 0 4299 4300 4300 0 4302
4303 4303 0 4305 4306 4306 0 4308 4309 4309
0 4311 4312 4312 0 4314 4315 4315 0 4317
4318 4318 0 4320 4321 4321 0 4323 4324 4324
0 4326 4327 4327 0 4329 4330 4330 0 4332
4333 4333 0 4335 4336 4336 0 4338 4339 4339
0 4341 4342 4342 0 4344 4345 4345 0 4347
4348 4348 0 4350 4351 4351 0 4353 4354 4354
0 4356 4357 4357 0 4359 4360 4360 0 4362
4363 4363 0 4365 4366 4366 0 4368 4369 4369
0 4371 4372 4372 0 4374 4375 4375 0 4377
4378 4378 0 4380 4381 4381 0 4383 4384 4384
0 4386 4387 4387 0 4389 4390 4390 0 4392
4393 4393 0 4395 4396 4396 0 4398 4399 4399
0 4401 4402 4402 0 4404 4405 4405 0 4407
4408 4408 0 4410 4411 4411 0 4413 4414 4414
0 4416 4417 4417 0 4419 4420 4420 0 4422
4423 4423 0 4425 4426 4426 0 4428 4429 4429
0 4431 4432 4432 0 4434 4435 4435 0 4437
4438 4438 0 4440 4441 4441 0 4443 4444 4444
0 4446 4447 4447 0 4449 4450 4450 0 4452
4453 4453 0 4455 4456 4456 0 4458 4459 4459
0 4461 4462 4462 0 4464 4465 4465 0 4467
4468 4468 0 4470 4471 4471 0 4473 4474 4474
0 4476 4477 4477 0 4479 4480 4480 0 4482
4483 4483 0 4485 4486 4486 0 4488 4489 4489
0 4491 4492 4492 0 4494 4495 4495 0 4497
4498 4498 0 4500 4501 4501 0 4503 4504 4504
0 4506 4507 4507 0 4509 4510 4510 0 4512
4513 4513 0 4515 4516 4516 0 4518 4519 4519
0 4521 4522 4522 0 4524 4525 4525 0 4527
4528 4528 0 4530 4531 4531 0 4533 4534 4534
0 4536 4537 4537 0 4539 4540 4540 0 4542
4543 4543 0 4545 4546 4546 0 4548 4549 4549
0 4551 4552 4552 0 4554 4555 4555 0 4557
4558 4558 0 4560 4561 4561 0 4563 4564 4564
0 4566 4567 4567 0 4569 4570 4570 0 4572
4573 4573 0 4575 4576 4576 0 4578 4579 4579
0 4581 4582 4582 0 4584 4585 4585 0 4587
4588 4588 0 4590 4591 4591 0 4593 4594 4594
0 4596 4597 4597 0
%FLAG HBOND_ACOEF
%FORMAT(5E16.8)
0.00000000E+00
%FLAG HBOND_BCOEF
%FORMAT(5E16.8)
0.00000000E+00
%FLAG HBCUT
%FORMAT(5E16.8)
0.00000000E+00
%FLAG AMBER_ATOM_TYPE
%FORMAT(20a4)
HO OH CG H2 CG H1 OH HO CG H1 OH HO CG H1 CG H1 OS C O2 O2
OS CG H2 CG H1 OH HO CG H1 OH HO CG H1 CG H1 OS C O2 O2 OS
CG H2 CG H1 OH HO CG H1 OH HO CG H1 CG H1 OS C O2 O2 OS CG
H2 CG H1 OH HO CG H1 OH HO CG H1 CG H1 OS C O2 O2 OS CG H2
CG H1 OH HO CG H1 OH HO CG H1 OH HO CG H1 OS C O2 O2 IP IP
IP IP IP OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
%FLAG TREE_CHAIN_CLASSIFICATION
%FORMAT(20a4)
M M M E M E S E M E S E M E B E S B E E
M M E M E S E M E S E M E B E S B E E M
M E M E S E M E S E M E B E S B E E M M
E M E S E M E S E M E B E S B E E M M E
3 E S E 3 E S E B E S E M E M B E E M M
M M M BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
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%FLAG SOLVENT_POINTERS
%FORMAT(3I8)
11 1504 7
%FLAG ATOMS_PER_MOLECULE
%FORMAT(10I8)
98 1 1 1 1 1 3 3 3 3
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%FORMAT(5E16.8)
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%FLAG RADIUS_SET
%FORMAT(1a80)
modified Bondi radii (mbondi)
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8.50000000E-01 8.50000000E-01
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Received on Tue Apr 20 2010 - 06:30:04 PDT