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AMBER Archive (2006)
Subject: Re: AMBER: ammonia parameters
From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Thu Nov 23 2006 - 09:40:05 CST
- Next message: Rachel : "Re: AMBER: compile amber8 on IBM-sp4"
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- In reply to: Peter Trodler: "AMBER: ammonia parameters"
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Please find attached files. In fact, the frcmod file
is not necessary.
Best regards.
Fenghui Fan
--- Peter Trodler <peter.trodler_at_itb.uni-stuttgart.de>
wrote:
---------------------------------
Dear Amber users,
Does anyone have a PREP file and a frcmod file for the
uncharged ammoniamolecule NH3?
Any information about getting the parameters for this
molecule iswelcome.
Best regards,
Peter
Peter Trodler
Institute of Technical Biochemistry
University of Stuttgart
Allmandring 31
D-70569 Stuttgart, Germany
Phone:(+49)-711-685-69977
Fax: (+49)-711-685-63196
Email: peter.trodler_at_itb.uni-stuttgart.de
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- application/octet-stream attachment: 1424329855-nh3.pdb
UNK
928
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12.8328264 11.9327427 12.6266867 11.9423274 12.5624320 11.3891419
8.0824278 10.4098116 18.2005549 7.4312258 10.9952197 17.8139563
8.8768641 10.9404311 18.2600586 2.0079905 7.4987254 18.5992683
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0 0 2
This is a remark line
molecule.res
UNK INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000
2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000
3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000
4 N n3 M 3 2 1 1.540 111.208 180.000 0.00000
5 H hn E 4 3 2 1.010 90.000 -180.000 0.00000
6 H1 hn E 4 3 2 1.010 160.560 0.000 0.00000
7 H2 hn E 4 3 2 1.010 61.882 -67.840 0.00000
LOOP
IMPROPER
DONE
STOP
%VERSION VERSION_STAMP = V0001.000 DATE = 11/23/06 09:36:30
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7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
-1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00
7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
-1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00
7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
-1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00
7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
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7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01
7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00
-1.51973982E+01 7.59869910E+00 7.59869910E+00
%FLAG MASS
%FORMAT(5E16.8)
1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
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1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
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1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00
1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
1.60000000E+01 1.00800000E+00 1.00800000E+00
%FLAG ATOM_TYPE_INDEX
%FORMAT(10I8)
1 2 2 2 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4 3 4
4 3 4 4 3 4 4 3 4 4
3 4 4 3 4 4 3 4 4 3
4 4 3 4 4 3 4 4
%FLAG NUMBER_EXCLUDED_ATOMS
%FORMAT(10I8)
3 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 2 1 1 2 1 1
2 1 1 2 1 1 2 1 1 2
1 1 2 1 1 2 1 1 2 1
1 2 1 1 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 2 3 5 8 4 5
6 -1 7 8 -1 10
%FLAG RESIDUE_LABEL
%FORMAT(20a4)
UNK WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT 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 5 8 11 14 17 20 23 26 29
32 35 38 41 44 47 50 53 56 59
62 65 68 71 74 77 80 83 86 89
92 95 98 101 104 107 110 113 116 119
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
%FLAG BOND_FORCE_CONSTANT
%FORMAT(5E16.8)
3.94100000E+02 5.53000000E+02 5.53000000E+02
%FLAG BOND_EQUIL_VALUE
%FORMAT(5E16.8)
1.01800000E+00 9.57200000E-01 1.51360000E+00
%FLAG ANGLE_FORCE_CONSTANT
%FORMAT(5E16.8)
4.13000000E+01
%FLAG ANGLE_EQUIL_VALUE
%FORMAT(5E16.8)
1.86977203E+00
%FLAG DIHEDRAL_FORCE_CONSTANT
%FORMAT(5E16.8)
%FLAG DIHEDRAL_PERIODICITY
%FORMAT(5E16.8)
%FLAG DIHEDRAL_PHASE
%FORMAT(5E16.8)
%FLAG SOLTY
%FORMAT(5E16.8)
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG LENNARD_JONES_ACOEF
%FORMAT(5E16.8)
9.44293233E+05 2.12601181E+03 1.39982777E-01 7.42364908E+05 1.52094041E+03
5.81935564E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG LENNARD_JONES_BCOEF
%FORMAT(5E16.8)
8.01323529E+02 2.09604198E+01 9.37598976E-02 6.90894667E+02 1.72393904E+01
5.94825035E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG BONDS_INC_HYDROGEN
%FORMAT(10I8)
0 3 1 0 6 1 0 9 1 15
12 2 18 12 2 18 15 3 24 21
2 27 21 2 27 24 3 33 30 2
36 30 2 36 33 3 42 39 2 45
39 2 45 42 3 51 48 2 54 48
2 54 51 3 60 57 2 63 57 2
63 60 3 69 66 2 72 66 2 72
69 3 78 75 2 81 75 2 81 78
3 87 84 2 90 84 2 90 87 3
96 93 2 99 93 2 99 96 3 105
102 2 108 102 2 108 105 3 114 111
2 117 111 2 117 114 3 123 120 2
126 120 2 126 123 3 132 129 2 135
129 2 135 132 3 141 138 2 144 138
2 144 141 3 150 147 2 153 147 2
153 150 3 159 156 2 162 156 2 162
159 3 168 165 2 171 165 2 171 168
3 177 174 2 180 174 2 180 177 3
186 183 2 189 183 2 189 186 3 195
192 2 198 192 2 198 195 3 204 201
2 207 201 2 207 204 3 213 210 2
216 210 2 216 213 3 222 219 2 225
219 2 225 222 3 231 228 2 234 228
2 234 231 3 240 237 2 243 237 2
243 240 3 249 246 2 252 246 2 252
249 3 258 255 2 261 255 2 261 258
3 267 264 2 270 264 2 270 267 3
276 273 2 279 273 2 279 276 3 285
282 2 288 282 2 288 285 3 294 291
2 297 291 2 297 294 3 303 300 2
306 300 2 306 303 3 312 309 2 315
309 2 315 312 3 321 318 2 324 318
2 324 321 3 330 327 2 333 327 2
333 330 3 339 336 2 342 336 2 342
339 3 348 345 2 351 345 2 351 348
3 357 354 2 360 354 2 360 357 3
366 363 2 369 363 2 369 366 3 375
372 2 378 372 2 378 375 3 384 381
2 387 381 2 387 384 3 393 390 2
396 390 2 396 393 3 402 399 2 405
399 2 405 402 3 411 408 2 414 408
2 414 411 3 420 417 2 423 417 2
423 420 3 429 426 2 432 426 2 432
429 3 438 435 2 441 435 2 441 438
3 447 444 2 450 444 2 450 447 3
456 453 2 459 453 2 459 456 3 465
462 2 468 462 2 468 465 3 474 471
2 477 471 2 477 474 3 483 480 2
486 480 2 486 483 3 492 489 2 495
489 2 495 492 3 501 498 2 504 498
2 504 501 3 510 507 2 513 507 2
513 510 3 519 516 2 522 516 2 522
519 3 528 525 2 531 525 2 531 528
3 537 534 2 540 534 2 540 537 3
546 543 2 549 543 2 549 546 3 555
552 2 558 552 2 558 555 3 564 561
2 567 561 2 567 564 3 573 570 2
576 570 2 576 573 3 582 579 2 585
579 2 585 582 3 591 588 2 594 588
2 594 591 3 600 597 2 603 597 2
603 600 3 609 606 2 612 606 2 612
609 3 618 615 2 621 615 2 621 618
3 627 624 2 630 624 2 630 627 3
636 633 2 639 633 2 639 636 3 645
642 2 648 642 2 648 645 3 654 651
2 657 651 2 657 654 3 663 660 2
666 660 2 666 663 3 672 669 2 675
669 2 675 672 3 681 678 2 684 678
2 684 681 3 690 687 2 693 687 2
693 690 3 699 696 2 702 696 2 702
699 3 708 705 2 711 705 2 711 708
3 717 714 2 720 714 2 720 717 3
726 723 2 729 723 2 729 726 3 735
732 2 738 732 2 738 735 3 744 741
2 747 741 2 747 744 3 753 750 2
756 750 2 756 753 3 762 759 2 765
759 2 765 762 3 771 768 2 774 768
2 774 771 3 780 777 2 783 777 2
783 780 3 789 786 2 792 786 2 792
789 3 798 795 2 801 795 2 801 798
3 807 804 2 810 804 2 810 807 3
816 813 2 819 813 2 819 816 3 825
822 2 828 822 2 828 825 3 834 831
2 837 831 2 837 834 3 843 840 2
846 840 2 846 843 3 852 849 2 855
849 2 855 852 3 861 858 2 864 858
2 864 861 3 870 867 2 873 867 2
873 870 3 879 876 2 882 876 2 882
879 3 888 885 2 891 885 2 891 888
3 897 894 2 900 894 2 900 897 3
906 903 2 909 903 2 909 906 3 915
912 2 918 912 2 918 915 3 924 921
2 927 921 2 927 924 3 933 930 2
936 930 2 936 933 3 942 939 2 945
939 2 945 942 3 951 948 2 954 948
2 954 951 3 960 957 2 963 957 2
963 960 3 969 966 2 972 966 2 972
969 3 978 975 2 981 975 2 981 978
3 987 984 2 990 984 2 990 987 3
996 993 2 999 993 2 999 996 3 1005
1002 2 1008 1002 2 1008 1005 3 1014 1011
2 1017 1011 2 1017 1014 3 1023 1020 2
1026 1020 2 1026 1023 3 1032 1029 2 1035
1029 2 1035 1032 3 1041 1038 2 1044 1038
2 1044 1041 3 1050 1047 2 1053 1047 2
1053 1050 3 1059 1056 2 1062 1056 2 1062
1059 3 1068 1065 2 1071 1065 2 1071 1068
3 1077 1074 2 1080 1074 2 1080 1077 3
1086 1083 2 1089 1083 2 1089 1086 3 1095
1092 2 1098 1092 2 1098 1095 3 1104 1101
2 1107 1101 2 1107 1104 3 1113 1110 2
1116 1110 2 1116 1113 3 1122 1119 2 1125
1119 2 1125 1122 3 1131 1128 2 1134 1128
2 1134 1131 3 1140 1137 2 1143 1137 2
1143 1140 3 1149 1146 2 1152 1146 2 1152
1149 3 1158 1155 2 1161 1155 2 1161 1158
3 1167 1164 2 1170 1164 2 1170 1167 3
1176 1173 2 1179 1173 2 1179 1176 3 1185
1182 2 1188 1182 2 1188 1185 3 1194 1191
2 1197 1191 2 1197 1194 3 1203 1200 2
1206 1200 2 1206 1203 3 1212 1209 2 1215
1209 2 1215 1212 3 1221 1218 2 1224 1218
2 1224 1221 3 1230 1227 2 1233 1227 2
1233 1230 3 1239 1236 2 1242 1236 2 1242
1239 3 1248 1245 2 1251 1245 2 1251 1248
3 1257 1254 2 1260 1254 2 1260 1257 3
1266 1263 2 1269 1263 2 1269 1266 3 1275
1272 2 1278 1272 2 1278 1275 3 1284 1281
2 1287 1281 2 1287 1284 3 1293 1290 2
1296 1290 2 1296 1293 3 1302 1299 2 1305
1299 2 1305 1302 3 1311 1308 2 1314 1308
2 1314 1311 3 1320 1317 2 1323 1317 2
1323 1320 3 1329 1326 2 1332 1326 2 1332
1329 3 1338 1335 2 1341 1335 2 1341 1338
3 1347 1344 2 1350 1344 2 1350 1347 3
1356 1353 2 1359 1353 2 1359 1356 3 1365
1362 2 1368 1362 2 1368 1365 3 1374 1371
2 1377 1371 2 1377 1374 3 1383 1380 2
1386 1380 2 1386 1383 3 1392 1389 2 1395
1389 2 1395 1392 3 1401 1398 2 1404 1398
2 1404 1401 3 1410 1407 2 1413 1407 2
1413 1410 3 1419 1416 2 1422 1416 2 1422
1419 3 1428 1425 2 1431 1425 2 1431 1428
3 1437 1434 2 1440 1434 2 1440 1437 3
1446 1443 2 1449 1443 2 1449 1446 3 1455
1452 2 1458 1452 2 1458 1455 3 1464 1461
2 1467 1461 2 1467 1464 3 1473 1470 2
1476 1470 2 1476 1473 3 1482 1479 2 1485
1479 2 1485 1482 3 1491 1488 2 1494 1488
2 1494 1491 3 1500 1497 2 1503 1497 2
1503 1500 3 1509 1506 2 1512 1506 2 1512
1509 3 1518 1515 2 1521 1515 2 1521 1518
3 1527 1524 2 1530 1524 2 1530 1527 3
1536 1533 2 1539 1533 2 1539 1536 3 1545
1542 2 1548 1542 2 1548 1545 3 1554 1551
2 1557 1551 2 1557 1554 3 1563 1560 2
1566 1560 2 1566 1563 3 1572 1569 2 1575
1569 2 1575 1572 3 1581 1578 2 1584 1578
2 1584 1581 3 1590 1587 2 1593 1587 2
1593 1590 3 1599 1596 2 1602 1596 2 1602
1599 3 1608 1605 2 1611 1605 2 1611 1608
3 1617 1614 2 1620 1614 2 1620 1617 3
1626 1623 2 1629 1623 2 1629 1626 3 1635
1632 2 1638 1632 2 1638 1635 3 1644 1641
2 1647 1641 2 1647 1644 3 1653 1650 2
1656 1650 2 1656 1653 3 1662 1659 2 1665
1659 2 1665 1662 3 1671 1668 2 1674 1668
2 1674 1671 3 1680 1677 2 1683 1677 2
1683 1680 3 1689 1686 2 1692 1686 2 1692
1689 3 1698 1695 2 1701 1695 2 1701 1698
3 1707 1704 2 1710 1704 2 1710 1707 3
1716 1713 2 1719 1713 2 1719 1716 3 1725
1722 2 1728 1722 2 1728 1725 3 1734 1731
2 1737 1731 2 1737 1734 3 1743 1740 2
1746 1740 2 1746 1743 3 1752 1749 2 1755
1749 2 1755 1752 3 1761 1758 2 1764 1758
2 1764 1761 3 1770 1767 2 1773 1767 2
1773 1770 3 1779 1776 2 1782 1776 2 1782
1779 3 1788 1785 2 1791 1785 2 1791 1788
3 1797 1794 2 1800 1794 2 1800 1797 3
1806 1803 2 1809 1803 2 1809 1806 3 1815
1812 2 1818 1812 2 1818 1815 3 1824 1821
2 1827 1821 2 1827 1824 3 1833 1830 2
1836 1830 2 1836 1833 3 1842 1839 2 1845
1839 2 1845 1842 3 1851 1848 2 1854 1848
2 1854 1851 3 1860 1857 2 1863 1857 2
1863 1860 3 1869 1866 2 1872 1866 2 1872
1869 3 1878 1875 2 1881 1875 2 1881 1878
3 1887 1884 2 1890 1884 2 1890 1887 3
1896 1893 2 1899 1893 2 1899 1896 3 1905
1902 2 1908 1902 2 1908 1905 3 1914 1911
2 1917 1911 2 1917 1914 3 1923 1920 2
1926 1920 2 1926 1923 3 1932 1929 2 1935
1929 2 1935 1932 3 1941 1938 2 1944 1938
2 1944 1941 3 1950 1947 2 1953 1947 2
1953 1950 3 1959 1956 2 1962 1956 2 1962
1959 3 1968 1965 2 1971 1965 2 1971 1968
3 1977 1974 2 1980 1974 2 1980 1977 3
1986 1983 2 1989 1983 2 1989 1986 3 1995
1992 2 1998 1992 2 1998 1995 3 2004 2001
2 2007 2001 2 2007 2004 3 2013 2010 2
2016 2010 2 2016 2013 3 2022 2019 2 2025
2019 2 2025 2022 3 2031 2028 2 2034 2028
2 2034 2031 3 2040 2037 2 2043 2037 2
2043 2040 3 2049 2046 2 2052 2046 2 2052
2049 3 2058 2055 2 2061 2055 2 2061 2058
3 2067 2064 2 2070 2064 2 2070 2067 3
2076 2073 2 2079 2073 2 2079 2076 3 2085
2082 2 2088 2082 2 2088 2085 3 2094 2091
2 2097 2091 2 2097 2094 3 2103 2100 2
2106 2100 2 2106 2103 3 2112 2109 2 2115
2109 2 2115 2112 3 2121 2118 2 2124 2118
2 2124 2121 3 2130 2127 2 2133 2127 2
2133 2130 3 2139 2136 2 2142 2136 2 2142
2139 3 2148 2145 2 2151 2145 2 2151 2148
3 2157 2154 2 2160 2154 2 2160 2157 3
2166 2163 2 2169 2163 2 2169 2166 3 2175
2172 2 2178 2172 2 2178 2175 3 2184 2181
2 2187 2181 2 2187 2184 3 2193 2190 2
2196 2190 2 2196 2193 3 2202 2199 2 2205
2199 2 2205 2202 3 2211 2208 2 2214 2208
2 2214 2211 3 2220 2217 2 2223 2217 2
2223 2220 3 2229 2226 2 2232 2226 2 2232
2229 3 2238 2235 2 2241 2235 2 2241 2238
3 2247 2244 2 2250 2244 2 2250 2247 3
2256 2253 2 2259 2253 2 2259 2256 3 2265
2262 2 2268 2262 2 2268 2265 3 2274 2271
2 2277 2271 2 2277 2274 3 2283 2280 2
2286 2280 2 2286 2283 3 2292 2289 2 2295
2289 2 2295 2292 3 2301 2298 2 2304 2298
2 2304 2301 3 2310 2307 2 2313 2307 2
2313 2310 3 2319 2316 2 2322 2316 2 2322
2319 3 2328 2325 2 2331 2325 2 2331 2328
3 2337 2334 2 2340 2334 2 2340 2337 3
2346 2343 2 2349 2343 2 2349 2346 3 2355
2352 2 2358 2352 2 2358 2355 3 2364 2361
2 2367 2361 2 2367 2364 3 2373 2370 2
2376 2370 2 2376 2373 3 2382 2379 2 2385
2379 2 2385 2382 3 2391 2388 2 2394 2388
2 2394 2391 3 2400 2397 2 2403 2397 2
2403 2400 3 2409 2406 2 2412 2406 2 2412
2409 3 2418 2415 2 2421 2415 2 2421 2418
3 2427 2424 2 2430 2424 2 2430 2427 3
2436 2433 2 2439 2433 2 2439 2436 3 2445
2442 2 2448 2442 2 2448 2445 3 2454 2451
2 2457 2451 2 2457 2454 3 2463 2460 2
2466 2460 2 2466 2463 3 2472 2469 2 2475
2469 2 2475 2472 3 2481 2478 2 2484 2478
2 2484 2481 3 2490 2487 2 2493 2487 2
2493 2490 3 2499 2496 2 2502 2496 2 2502
2499 3 2508 2505 2 2511 2505 2 2511 2508
3 2517 2514 2 2520 2514 2 2520 2517 3
2526 2523 2 2529 2523 2 2529 2526 3 2535
2532 2 2538 2532 2 2538 2535 3 2544 2541
2 2547 2541 2 2547 2544 3 2553 2550 2
2556 2550 2 2556 2553 3 2562 2559 2 2565
2559 2 2565 2562 3 2571 2568 2 2574 2568
2 2574 2571 3 2580 2577 2 2583 2577 2
2583 2580 3 2589 2586 2 2592 2586 2 2592
2589 3 2598 2595 2 2601 2595 2 2601 2598
3 2607 2604 2 2610 2604 2 2610 2607 3
2616 2613 2 2619 2613 2 2619 2616 3 2625
2622 2 2628 2622 2 2628 2625 3 2634 2631
2 2637 2631 2 2637 2634 3 2643 2640 2
2646 2640 2 2646 2643 3 2652 2649 2 2655
2649 2 2655 2652 3 2661 2658 2 2664 2658
2 2664 2661 3 2670 2667 2 2673 2667 2
2673 2670 3 2679 2676 2 2682 2676 2 2682
2679 3 2688 2685 2 2691 2685 2 2691 2688
3 2697 2694 2 2700 2694 2 2700 2697 3
2706 2703 2 2709 2703 2 2709 2706 3 2715
2712 2 2718 2712 2 2718 2715 3 2724 2721
2 2727 2721 2 2727 2724 3 2733 2730 2
2736 2730 2 2736 2733 3 2742 2739 2 2745
2739 2 2745 2742 3 2751 2748 2 2754 2748
2 2754 2751 3 2760 2757 2 2763 2757 2
2763 2760 3 2769 2766 2 2772 2766 2 2772
2769 3 2778 2775 2 2781 2775 2 2781 2778
3
%FLAG BONDS_WITHOUT_HYDROGEN
%FORMAT(10I8)
%FLAG ANGLES_INC_HYDROGEN
%FORMAT(10I8)
3 0 6 1 3 0 9 1 6 0
9 1
%FLAG ANGLES_WITHOUT_HYDROGEN
%FORMAT(10I8)
%FLAG DIHEDRALS_INC_HYDROGEN
%FORMAT(10I8)
%FLAG DIHEDRALS_WITHOUT_HYDROGEN
%FORMAT(10I8)
%FLAG EXCLUDED_ATOMS_LIST
%FORMAT(10I8)
2 3 4 3 4 4 0 6 7 7
0 9 10 10 0 12 13 13 0 15
16 16 0 18 19 19 0 21 22 22
0 24 25 25 0 27 28 28 0 30
31 31 0 33 34 34 0 36 37 37
0 39 40 40 0 42 43 43 0 45
46 46 0 48 49 49 0 51 52 52
0 54 55 55 0 57 58 58 0 60
61 61 0 63 64 64 0 66 67 67
0 69 70 70 0 72 73 73 0 75
76 76 0 78 79 79 0 81 82 82
0 84 85 85 0 87 88 88 0 90
91 91 0 93 94 94 0 96 97 97
0 99 100 100 0 102 103 103 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 0 126 127 127
0 129 130 130 0 132 133 133 0 135
136 136 0 138 139 139 0 141 142 142
0 144 145 145 0 147 148 148 0 150
151 151 0 153 154 154 0 156 157 157
0 159 160 160 0 162 163 163 0 165
166 166 0 168 169 169 0 171 172 172
0 174 175 175 0 177 178 178 0 180
181 181 0 183 184 184 0 186 187 187
0 189 190 190 0 192 193 193 0 195
196 196 0 198 199 199 0 201 202 202
0 204 205 205 0 207 208 208 0 210
211 211 0 213 214 214 0 216 217 217
0 219 220 220 0 222 223 223 0 225
226 226 0 228 229 229 0 231 232 232
0 234 235 235 0 237 238 238 0 240
241 241 0 243 244 244 0 246 247 247
0 249 250 250 0 252 253 253 0 255
256 256 0 258 259 259 0 261 262 262
0 264 265 265 0 267 268 268 0 270
271 271 0 273 274 274 0 276 277 277
0 279 280 280 0 282 283 283 0 285
286 286 0 288 289 289 0 291 292 292
0 294 295 295 0 297 298 298 0 300
301 301 0 303 304 304 0 306 307 307
0 309 310 310 0 312 313 313 0 315
316 316 0 318 319 319 0 321 322 322
0 324 325 325 0 327 328 328 0 330
331 331 0 333 334 334 0 336 337 337
0 339 340 340 0 342 343 343 0 345
346 346 0 348 349 349 0 351 352 352
0 354 355 355 0 357 358 358 0 360
361 361 0 363 364 364 0 366 367 367
0 369 370 370 0 372 373 373 0 375
376 376 0 378 379 379 0 381 382 382
0 384 385 385 0 387 388 388 0 390
391 391 0 393 394 394 0 396 397 397
0 399 400 400 0 402 403 403 0 405
406 406 0 408 409 409 0 411 412 412
0 414 415 415 0 417 418 418 0 420
421 421 0 423 424 424 0 426 427 427
0 429 430 430 0 432 433 433 0 435
436 436 0 438 439 439 0 441 442 442
0 444 445 445 0 447 448 448 0 450
451 451 0 453 454 454 0 456 457 457
0 459 460 460 0 462 463 463 0 465
466 466 0 468 469 469 0 471 472 472
0 474 475 475 0 477 478 478 0 480
481 481 0 483 484 484 0 486 487 487
0 489 490 490 0 492 493 493 0 495
496 496 0 498 499 499 0 501 502 502
0 504 505 505 0 507 508 508 0 510
511 511 0 513 514 514 0 516 517 517
0 519 520 520 0 522 523 523 0 525
526 526 0 528 529 529 0 531 532 532
0 534 535 535 0 537 538 538 0 540
541 541 0 543 544 544 0 546 547 547
0 549 550 550 0 552 553 553 0 555
556 556 0 558 559 559 0 561 562 562
0 564 565 565 0 567 568 568 0 570
571 571 0 573 574 574 0 576 577 577
0 579 580 580 0 582 583 583 0 585
586 586 0 588 589 589 0 591 592 592
0 594 595 595 0 597 598 598 0 600
601 601 0 603 604 604 0 606 607 607
0 609 610 610 0 612 613 613 0 615
616 616 0 618 619 619 0 621 622 622
0 624 625 625 0 627 628 628 0 630
631 631 0 633 634 634 0 636 637 637
0 639 640 640 0 642 643 643 0 645
646 646 0 648 649 649 0 651 652 652
0 654 655 655 0 657 658 658 0 660
661 661 0 663 664 664 0 666 667 667
0 669 670 670 0 672 673 673 0 675
676 676 0 678 679 679 0 681 682 682
0 684 685 685 0 687 688 688 0 690
691 691 0 693 694 694 0 696 697 697
0 699 700 700 0 702 703 703 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 0 726 727 727
0 729 730 730 0 732 733 733 0 735
736 736 0 738 739 739 0 741 742 742
0 744 745 745 0 747 748 748 0 750
751 751 0 753 754 754 0 756 757 757
0 759 760 760 0 762 763 763 0 765
766 766 0 768 769 769 0 771 772 772
0 774 775 775 0 777 778 778 0 780
781 781 0 783 784 784 0 786 787 787
0 789 790 790 0 792 793 793 0 795
796 796 0 798 799 799 0 801 802 802
0 804 805 805 0 807 808 808 0 810
811 811 0 813 814 814 0 816 817 817
0 819 820 820 0 822 823 823 0 825
826 826 0 828 829 829 0 831 832 832
0 834 835 835 0 837 838 838 0 840
841 841 0 843 844 844 0 846 847 847
0 849 850 850 0 852 853 853 0 855
856 856 0 858 859 859 0 861 862 862
0 864 865 865 0 867 868 868 0 870
871 871 0 873 874 874 0 876 877 877
0 879 880 880 0 882 883 883 0 885
886 886 0 888 889 889 0 891 892 892
0 894 895 895 0 897 898 898 0 900
901 901 0 903 904 904 0 906 907 907
0 909 910 910 0 912 913 913 0 915
916 916 0 918 919 919 0 921 922 922
0 924 925 925 0 927 928 928 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)
n3 hn hn hn OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW 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 E E E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA
%FLAG JOIN_ARRAY
%FORMAT(10I8)
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
%FLAG IROTAT
%FORMAT(10I8)
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
%FLAG SOLVENT_POINTERS
%FORMAT(3I8)
1 309 2
%FLAG ATOMS_PER_MOLECULE
%FORMAT(10I8)
4 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3 3
3 3 3 3 3 3 3 3 3
%FLAG BOX_DIMENSIONS
%FORMAT(5E16.8)
1.09471219E+02 2.47201053E+01 2.47201053E+01 2.47201053E+01
%FLAG RADIUS_SET
%FORMAT(1a80)
modified Bondi radii (mbondi)
%FLAG RADII
%FORMAT(5E16.8)
1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
1.50000000E+00 8.00000000E-01 8.00000000E-01
%FLAG SCREEN
%FORMAT(5E16.8)
7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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- application/octet-stream attachment: 793040906-nh3.frcmod
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