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1084 lines
84 KiB
1084 lines
84 KiB
2 years ago
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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
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||
|
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
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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
|
||
|
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 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 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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||
|
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 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 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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|
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 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 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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||
|
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 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 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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||
|
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 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 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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||
|
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 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 1.60000000E+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
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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 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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||
|
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 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 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01
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||
|
1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00
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||
|
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.40100000E+01 1.00800000E+00
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||
|
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
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||
|
1.40100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00
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||
|
1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.40100000E+01
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||
|
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01
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|
1.60000000E+01 1.40100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00
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||
|
1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01
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||
|
1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00
|
||
|
1.20100000E+01 1.60000000E+01 1.40100000E+01 1.40100000E+01 1.00800000E+00
|
||
|
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01
|
||
|
1.40100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00
|
||
|
1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.40100000E+01
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||
|
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01
|
||
|
1.60000000E+01 1.40100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00
|
||
|
1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00
|
||
|
1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00
|
||
|
1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.40100000E+01
|
||
|
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00
|
||
|
1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00
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||
|
1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00
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||
|
1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.40100000E+01
|
||
|
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00
|
||
|
1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00
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||
|
1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00
|
||
|
1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.40100000E+01
|
||
|
1.00800000E+00 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00
|
||
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1.00800000E+00 1.00800000E+00
|
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|
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|
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|
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2 2 1 2 2 1 2 2 1 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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1 2 2 1 2 2 1 2 2 1
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2 2 1 2 2 1 2 2 1 2
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2 1 2 2 1 2 2 1 2 2
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5 5 6 6 6 6 3 4 5 5
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6 6 6 6 3 4 5 5 6 6
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6 6 3 4 5 5 6 6 6 6
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3 4 5 5 6 6 6 6 3 4
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5 5 6 6 6 6 3 4 5 5
|
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|
6 6 6 6 3 4 5 5 6 6
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||
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6 6 5 6 6 6 5 6 6 6
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||
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5 6 6 6 5 6 6 6 5 6
|
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|
6 6 5 6 6 6 5 6 6 6
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|
5 6 6 6 5 6 6 6 5 6
|
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|
6 6 5 6 6 6 5 6 6 6
|
||
|
5 6 6 6 5 6 6 6 5 6
|
||
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6 6
|
||
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|
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|
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2 1 1 2 1 1 2 1 1 2
|
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1 1 2 1 1 2 1 1 2 1
|
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1 2 1 1 2 1 1 2 1 1
|
||
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2 1 1 2 1 1 2 1 1 2
|
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1 1 2 1 1 2 1 1 2 1
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1 2 1 1 2 1 1 2 1 1
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2 1 1 2 1 1 2 1 1 2
|
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1 1 2 1 1 2 1 1 2 1
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1 2 1 1 2 1 1 2 1 1
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2 1 1 2 1 1 2 1 1 2
|
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1 1 2 1 1 2 1 1 2 1
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1 2 1 1 2 1 1 2 1 1
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2 1 1 2 1 1 2 1 1 2
|
||
|
1 1 2 1 1 2 1 1 2 1
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||
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1 2 1 1 2 1 1 2 1 1
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||
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2 1 1 2 1 1 2 1 1 2
|
||
|
1 1 2 1 1 2 1 1 2 1
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||
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1 2 1 1 2 1 1 2 1 1
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||
|
2 1 1 2 1 1 2 1 1 2
|
||
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1 1 2 1 1 2 1 1 2 1
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||
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1 2 1 1 2 1 1 2 1 1
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||
|
2 1 1 2 1 1 2 1 1 2
|
||
|
1 1 2 1 1 2 1 1 2 1
|
||
|
1 2 1 1 2 1 1 2 1 1
|
||
|
2 1 1 2 1 1 2 1 1 2
|
||
|
1 1 2 1 1 2 1 1 2 1
|
||
|
1 2 1 1 2 1 1 2 1 1
|
||
|
2 1 1 2 1 1 2 1 1 2
|
||
|
1 1 2 1 1 2 1 1 2 1
|
||
|
1 2 1 1 2 1 1 2 1 1
|
||
|
7 6 5 4 1 1 1 1 7 6
|
||
|
5 4 1 1 1 1 7 6 5 4
|
||
|
1 1 1 1 7 6 5 4 1 1
|
||
|
1 1 7 6 5 4 1 1 1 1
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||
|
7 6 5 4 1 1 1 1 7 6
|
||
|
5 4 1 1 1 1 7 6 5 4
|
||
|
1 1 1 1 7 6 5 4 1 1
|
||
|
1 1 3 2 1 1 3 2 1 1
|
||
|
3 2 1 1 3 2 1 1 3 2
|
||
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1 1 3 2 1 1 3 2 1 1
|
||
|
3 2 1 1 3 2 1 1 3 2
|
||
|
1 1 3 2 1 1 3 2 1 1
|
||
|
3 2 1 1 3 2 1 1 3 2
|
||
|
1 1
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||
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|
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1 2 4 7 11 16 2 3 5 8
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||
|
12 17 4 5 6 9 13 18 7 8
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||
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|
||
|
16 17 18 19 20 21
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SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV
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SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV
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||
|
SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV
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||
|
SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV
|
||
|
SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV SLV
|
||
|
URA URA URA URA URA URA URA URA URA AMK AMK AMK AMK AMK AMK AMK AMK AMK AMK AMK
|
||
|
AMK AMK AMK AMK
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|
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|
||
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|
||
|
31 34 37 40 43 46 49 52 55 58
|
||
|
61 64 67 70 73 76 79 82 85 88
|
||
|
91 94 97 100 103 106 109 112 115 118
|
||
|
121 124 127 130 133 136 139 142 145 148
|
||
|
151 154 157 160 163 166 169 172 175 178
|
||
|
181 184 187 190 193 196 199 202 205 208
|
||
|
211 214 217 220 223 226 229 232 235 238
|
||
|
241 244 247 250 253 256 259 262 265 268
|
||
|
271 274 277 280 283 286 289 292 295 298
|
||
|
301 309 317 325 333 341 349 357 365 373
|
||
|
377 381 385 389 393 397 401 405 409 413
|
||
|
417 421 425 429
|
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|
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|
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3.71400000E+02 4.03200000E+02 6.22900000E+02 4.00100000E+02 3.92400000E+02
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9.73000000E-01 1.01290000E+00 1.22470000E+00 1.39940000E+00 1.01900000E+00
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4.16000000E+01 3.96000000E+01 7.19000000E+01 7.50990000E+01 4.76000000E+01
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||
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4.14000000E+01
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1.85860192E+00 2.05861674E+00 1.97623716E+00 2.05006462E+00 2.05774407E+00
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1.85703112E+00
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6.50000000E-01 1.10000000E+00
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2.00000000E+00 2.00000000E+00
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3.14159400E+00 3.14159400E+00
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1.20000000E+00 0.00000000E+00
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|
2.00000000E+00 0.00000000E+00
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0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
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||
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0.00000000E+00 0.00000000E+00
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5.81803229E+05 0.00000000E+00 0.00000000E+00 7.01803794E+05 0.00000000E+00
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||
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8.19971662E+05 4.71003287E+05 0.00000000E+00 5.74393458E+05 3.79876399E+05
|
||
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7.44975864E+05 0.00000000E+00 8.82619071E+05 6.06829342E+05 9.44293233E+05
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||
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1.40467023E+03 0.00000000E+00 2.27577561E+03 1.02595236E+03 2.12601181E+03
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1.39982777E-01
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5.31102864E+02 6.29300710E+02 0.00000000E+00 5.55666448E+02 5.64885984E+02
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||
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7.50714425E+02 0.00000000E+00 6.53361429E+02 6.77220874E+02 8.01323529E+02
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||
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1.79702257E+01 0.00000000E+00 1.82891803E+01 1.53505284E+01 2.09604198E+01
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||
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9.37598976E-02
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0 3 1 0 6 1 9 12 1 9
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|
||
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|
||
|
45 48 1 45 51 1 54 57 1 54
|
||
|
60 1 63 66 1 63 69 1 72 75
|
||
|
1 72 78 1 81 84 1 81 87 1
|
||
|
90 93 1 90 96 1 99 102 1 99
|
||
|
105 1 108 111 1 108 114 1 117 120
|
||
|
1 117 123 1 126 129 1 126 132 1
|
||
|
135 138 1 135 141 1 144 147 1 144
|
||
|
150 1 153 156 1 153 159 1 162 165
|
||
|
1 162 168 1 171 174 1 171 177 1
|
||
|
180 183 1 180 186 1 189 192 1 189
|
||
|
195 1 198 201 1 198 204 1 207 210
|
||
|
1 207 213 1 216 219 1 216 222 1
|
||
|
225 228 1 225 231 1 234 237 1 234
|
||
|
240 1 243 246 1 243 249 1 252 255
|
||
|
1 252 258 1 261 264 1 261 267 1
|
||
|
270 273 1 270 276 1 279 282 1 279
|
||
|
285 1 288 291 1 288 294 1 297 300
|
||
|
1 297 303 1 306 309 1 306 312 1
|
||
|
315 318 1 315 321 1 324 327 1 324
|
||
|
330 1 333 336 1 333 339 1 342 345
|
||
|
1 342 348 1 351 354 1 351 357 1
|
||
|
360 363 1 360 366 1 369 372 1 369
|
||
|
375 1 378 381 1 378 384 1 387 390
|
||
|
1 387 393 1 396 399 1 396 402 1
|
||
|
405 408 1 405 411 1 414 417 1 414
|
||
|
420 1 423 426 1 423 429 1 432 435
|
||
|
1 432 438 1 441 444 1 441 447 1
|
||
|
450 453 1 450 456 1 459 462 1 459
|
||
|
465 1 468 471 1 468 474 1 477 480
|
||
|
1 477 483 1 486 489 1 486 492 1
|
||
|
495 498 1 495 501 1 504 507 1 504
|
||
|
510 1 513 516 1 513 519 1 522 525
|
||
|
1 522 528 1 531 534 1 531 537 1
|
||
|
540 543 1 540 546 1 549 552 1 549
|
||
|
555 1 558 561 1 558 564 1 567 570
|
||
|
1 567 573 1 576 579 1 576 582 1
|
||
|
585 588 1 585 591 1 594 597 1 594
|
||
|
600 1 603 606 1 603 609 1 612 615
|
||
|
1 612 618 1 621 624 1 621 627 1
|
||
|
630 633 1 630 636 1 639 642 1 639
|
||
|
645 1 648 651 1 648 654 1 657 660
|
||
|
1 657 663 1 666 669 1 666 672 1
|
||
|
675 678 1 675 681 1 684 687 1 684
|
||
|
690 1 693 696 1 693 699 1 702 705
|
||
|
1 702 708 1 711 714 1 711 717 1
|
||
|
720 723 1 720 726 1 729 732 1 729
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||
|
735 1 738 741 1 738 744 1 747 750
|
||
|
1 747 753 1 756 759 1 756 762 1
|
||
|
765 768 1 765 771 1 774 777 1 774
|
||
|
780 1 783 786 1 783 789 1 792 795
|
||
|
1 792 798 1 801 804 1 801 807 1
|
||
|
810 813 1 810 816 1 819 822 1 819
|
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|
825 1 828 831 1 828 834 1 837 840
|
||
|
1 837 843 1 846 849 1 846 852 1
|
||
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855 858 1 855 861 1 864 867 1 864
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|
870 1 873 876 1 873 879 1 882 885
|
||
|
1 882 888 1 891 894 1 891 897 1
|
||
|
909 918 2 909 921 2 906 912 2 906
|
||
|
915 2 933 942 2 933 945 2 930 936
|
||
|
2 930 939 2 957 966 2 957 969 2
|
||
|
954 960 2 954 963 2 981 990 2 981
|
||
|
993 2 978 984 2 978 987 2 1005 1014
|
||
|
2 1005 1017 2 1002 1008 2 1002 1011 2
|
||
|
1029 1038 2 1029 1041 2 1026 1032 2 1026
|
||
|
1035 2 1053 1062 2 1053 1065 2 1050 1056
|
||
|
2 1050 1059 2 1077 1086 2 1077 1089 2
|
||
|
1074 1080 2 1074 1083 2 1101 1110 2 1101
|
||
|
1113 2 1098 1104 2 1098 1107 2 1116 1119
|
||
|
5 1116 1122 5 1116 1125 5 1128 1131 5
|
||
|
1128 1134 5 1128 1137 5 1140 1143 5 1140
|
||
|
1146 5 1140 1149 5 1152 1155 5 1152 1158
|
||
|
5 1152 1161 5 1164 1167 5 1164 1170 5
|
||
|
1164 1173 5 1176 1179 5 1176 1182 5 1176
|
||
|
1185 5 1188 1191 5 1188 1194 5 1188 1197
|
||
|
5 1200 1203 5 1200 1206 5 1200 1209 5
|
||
|
1212 1215 5 1212 1218 5 1212 1221 5 1224
|
||
|
1227 5 1224 1230 5 1224 1233 5 1236 1239
|
||
|
5 1236 1242 5 1236 1245 5 1248 1251 5
|
||
|
1248 1254 5 1248 1257 5 1260 1263 5 1260
|
||
|
1266 5 1260 1269 5 1272 1275 5 1272 1278
|
||
|
5 1272 1281 5 1284 1287 5 1284 1290 5
|
||
|
1284 1293 5
|
||
|
%FLAG BONDS_WITHOUT_HYDROGEN
|
||
|
%FORMAT(10I8)
|
||
|
900 903 3 900 906 4 900 909 4 924
|
||
|
927 3 924 930 4 924 933 4 948 951
|
||
|
3 948 954 4 948 957 4 972 975 3
|
||
|
972 978 4 972 981 4 996 999 3 996
|
||
|
1002 4 996 1005 4 1020 1023 3 1020 1026
|
||
|
4 1020 1029 4 1044 1047 3 1044 1050 4
|
||
|
1044 1053 4 1068 1071 3 1068 1074 4 1068
|
||
|
1077 4 1092 1095 3 1092 1098 4 1092 1101
|
||
|
4
|
||
|
%FLAG ANGLES_INC_HYDROGEN
|
||
|
%FORMAT(10I8)
|
||
|
3 0 6 1 12 9 15 1 21 18
|
||
|
24 1 30 27 33 1 39 36 42 1
|
||
|
48 45 51 1 57 54 60 1 66 63
|
||
|
69 1 75 72 78 1 84 81 87 1
|
||
|
93 90 96 1 102 99 105 1 111 108
|
||
|
114 1 120 117 123 1 129 126 132 1
|
||
|
138 135 141 1 147 144 150 1 156 153
|
||
|
159 1 165 162 168 1 174 171 177 1
|
||
|
183 180 186 1 192 189 195 1 201 198
|
||
|
204 1 210 207 213 1 219 216 222 1
|
||
|
228 225 231 1 237 234 240 1 246 243
|
||
|
249 1 255 252 258 1 264 261 267 1
|
||
|
273 270 276 1 282 279 285 1 291 288
|
||
|
294 1 300 297 303 1 309 306 312 1
|
||
|
318 315 321 1 327 324 330 1 336 333
|
||
|
339 1 345 342 348 1 354 351 357 1
|
||
|
363 360 366 1 372 369 375 1 381 378
|
||
|
384 1 390 387 393 1 399 396 402 1
|
||
|
408 405 411 1 417 414 420 1 426 423
|
||
|
429 1 435 432 438 1 444 441 447 1
|
||
|
453 450 456 1 462 459 465 1 471 468
|
||
|
474 1 480 477 483 1 489 486 492 1
|
||
|
498 495 501 1 507 504 510 1 516 513
|
||
|
519 1 525 522 528 1 534 531 537 1
|
||
|
543 540 546 1 552 549 555 1 561 558
|
||
|
564 1 570 567 573 1 579 576 582 1
|
||
|
588 585 591 1 597 594 600 1 606 603
|
||
|
609 1 615 612 618 1 624 621 627 1
|
||
|
633 630 636 1 642 639 645 1 651 648
|
||
|
654 1 660 657 663 1 669 666 672 1
|
||
|
678 675 681 1 687 684 690 1 696 693
|
||
|
699 1 705 702 708 1 714 711 717 1
|
||
|
723 720 726 1 732 729 735 1 741 738
|
||
|
744 1 750 747 753 1 759 756 762 1
|
||
|
768 765 771 1 777 774 780 1 786 783
|
||
|
789 1 795 792 798 1 804 801 807 1
|
||
|
813 810 816 1 822 819 825 1 831 828
|
||
|
834 1 840 837 843 1 849 846 852 1
|
||
|
858 855 861 1 867 864 870 1 876 873
|
||
|
879 1 885 882 888 1 894 891 897 1
|
||
|
918 909 921 2 912 906 915 2 900 906
|
||
|
912 5 900 906 915 5 900 909 918 5
|
||
|
900 909 921 5 942 933 945 2 936 930
|
||
|
939 2 924 930 936 5 924 930 939 5
|
||
|
924 933 942 5 924 933 945 5 966 957
|
||
|
969 2 960 954 963 2 948 954 960 5
|
||
|
948 954 963 5 948 957 966 5 948 957
|
||
|
969 5 990 981 993 2 984 978 987 2
|
||
|
972 978 984 5 972 978 987 5 972 981
|
||
|
990 5 972 981 993 5 1014 1005 1017 2
|
||
|
1008 1002 1011 2 996 1002 1008 5 996 1002
|
||
|
1011 5 996 1005 1014 5 996 1005 1017 5
|
||
|
1038 1029 1041 2 1032 1026 1035 2 1020 1026
|
||
|
1032 5 1020 1026 1035 5 1020 1029 1038 5
|
||
|
1020 1029 1041 5 1062 1053 1065 2 1056 1050
|
||
|
1059 2 1044 1050 1056 5 1044 1050 1059 5
|
||
|
1044 1053 1062 5 1044 1053 1065 5 1086 1077
|
||
|
1089 2 1080 1074 1083 2 1068 1074 1080 5
|
||
|
1068 1074 1083 5 1068 1077 1086 5 1068 1077
|
||
|
1089 5 1110 1101 1113 2 1104 1098 1107 2
|
||
|
1092 1098 1104 5 1092 1098 1107 5 1092 1101
|
||
|
1110 5 1092 1101 1113 5 1122 1116 1125 6
|
||
|
1119 1116 1122 6 1119 1116 1125 6 1134 1128
|
||
|
1137 6 1131 1128 1134 6 1131 1128 1137 6
|
||
|
1146 1140 1149 6 1143 1140 1146 6 1143 1140
|
||
|
1149 6 1158 1152 1161 6 1155 1152 1158 6
|
||
|
1155 1152 1161 6 1170 1164 1173 6 1167 1164
|
||
|
1170 6 1167 1164 1173 6 1182 1176 1185 6
|
||
|
1179 1176 1182 6 1179 1176 1185 6 1194 1188
|
||
|
1197 6 1191 1188 1194 6 1191 1188 1197 6
|
||
|
1206 1200 1209 6 1203 1200 1206 6 1203 1200
|
||
|
1209 6 1218 1212 1221 6 1215 1212 1218 6
|
||
|
1215 1212 1221 6 1230 1224 1233 6 1227 1224
|
||
|
1230 6 1227 1224 1233 6 1242 1236 1245 6
|
||
|
1239 1236 1242 6 1239 1236 1245 6 1254 1248
|
||
|
1257 6 1251 1248 1254 6 1251 1248 1257 6
|
||
|
1266 1260 1269 6 1263 1260 1266 6 1263 1260
|
||
|
1269 6 1278 1272 1281 6 1275 1272 1278 6
|
||
|
1275 1272 1281 6 1290 1284 1293 6 1287 1284
|
||
|
1290 6 1287 1284 1293 6
|
||
|
%FLAG ANGLES_WITHOUT_HYDROGEN
|
||
|
%FORMAT(10I8)
|
||
|
906 900 909 3 903 900 906 4 903 900
|
||
|
909 4 930 924 933 3 927 924 930 4
|
||
|
927 924 933 4 954 948 957 3 951 948
|
||
|
954 4 951 948 957 4 978 972 981 3
|
||
|
975 972 978 4 975 972 981 4 1002 996
|
||
|
1005 3 999 996 1002 4 999 996 1005 4
|
||
|
1026 1020 1029 3 1023 1020 1026 4 1023 1020
|
||
|
1029 4 1050 1044 1053 3 1047 1044 1050 4
|
||
|
1047 1044 1053 4 1074 1068 1077 3 1071 1068
|
||
|
1074 4 1071 1068 1077 4 1098 1092 1101 3
|
||
|
1095 1092 1098 4 1095 1092 1101 4
|
||
|
%FLAG DIHEDRALS_INC_HYDROGEN
|
||
|
%FORMAT(10I8)
|
||
|
909 900 906 912 1 909 900 906 915 1
|
||
|
906 900 909 918 1 906 900 909 921 1
|
||
|
903 900 906 912 1 903 900 906 915 1
|
||
|
903 900 909 918 1 903 900 909 921 1
|
||
|
933 924 930 936 1 933 924 930 939 1
|
||
|
930 924 933 942 1 930 924 933 945 1
|
||
|
927 924 930 936 1 927 924 930 939 1
|
||
|
927 924 933 942 1 927 924 933 945 1
|
||
|
957 948 954 960 1 957 948 954 963 1
|
||
|
954 948 957 966 1 954 948 957 969 1
|
||
|
951 948 954 960 1 951 948 954 963 1
|
||
|
951 948 957 966 1 951 948 957 969 1
|
||
|
981 972 978 984 1 981 972 978 987 1
|
||
|
978 972 981 990 1 978 972 981 993 1
|
||
|
975 972 978 984 1 975 972 978 987 1
|
||
|
975 972 981 990 1 975 972 981 993 1
|
||
|
1005 996 1002 1008 1 1005 996 1002 1011 1
|
||
|
1002 996 1005 1014 1 1002 996 1005 1017 1
|
||
|
999 996 1002 1008 1 999 996 1002 1011 1
|
||
|
999 996 1005 1014 1 999 996 1005 1017 1
|
||
|
1029 1020 1026 1032 1 1029 1020 1026 1035 1
|
||
|
1026 1020 1029 1038 1 1026 1020 1029 1041 1
|
||
|
1023 1020 1026 1032 1 1023 1020 1026 1035 1
|
||
|
1023 1020 1029 1038 1 1023 1020 1029 1041 1
|
||
|
1053 1044 1050 1056 1 1053 1044 1050 1059 1
|
||
|
1050 1044 1053 1062 1 1050 1044 1053 1065 1
|
||
|
1047 1044 1050 1056 1 1047 1044 1050 1059 1
|
||
|
1047 1044 1053 1062 1 1047 1044 1053 1065 1
|
||
|
1077 1068 1074 1080 1 1077 1068 1074 1083 1
|
||
|
1074 1068 1077 1086 1 1074 1068 1077 1089 1
|
||
|
1071 1068 1074 1080 1 1071 1068 1074 1083 1
|
||
|
1071 1068 1077 1086 1 1071 1068 1077 1089 1
|
||
|
1101 1092 1098 1104 1 1101 1092 1098 1107 1
|
||
|
1098 1092 1101 1110 1 1098 1092 1101 1113 1
|
||
|
1095 1092 1098 1104 1 1095 1092 1098 1107 1
|
||
|
1095 1092 1101 1110 1 1095 1092 1101 1113 1
|
||
|
900 918 -909 -921 2 900 912 -906 -915 2
|
||
|
924 942 -933 -945 2 924 936 -930 -939 2
|
||
|
948 966 -957 -969 2 948 960 -954 -963 2
|
||
|
972 990 -981 -993 2 972 984 -978 -987 2
|
||
|
996 1014 -1005 -1017 2 996 1008 -1002 -1011 2
|
||
|
1020 1038 -1029 -1041 2 1020 1032 -1026 -1035 2
|
||
|
1044 1062 -1053 -1065 2 1044 1056 -1050 -1059 2
|
||
|
1068 1086 -1077 -1089 2 1068 1080 -1074 -1083 2
|
||
|
1092 1110 -1101 -1113 2 1092 1104 -1098 -1107 2
|
||
|
%FLAG DIHEDRALS_WITHOUT_HYDROGEN
|
||
|
%FORMAT(10I8)
|
||
|
906 909 -900 -903 2 930 933 -924 -927 2
|
||
|
954 957 -948 -951 2 978 981 -972 -975 2
|
||
|
1002 1005 -996 -999 2 1026 1029 -1020 -1023 2
|
||
|
1050 1053 -1044 -1047 2 1074 1077 -1068 -1071 2
|
||
|
1098 1101 -1092 -1095 2
|
||
|
%FLAG EXCLUDED_ATOMS_LIST
|
||
|
%FORMAT(10I8)
|
||
|
2 3 3 0 5 6 6 0 8 9
|
||
|
9 0 11 12 12 0 14 15 15 0
|
||
|
17 18 18 0 20 21 21 0 23 24
|
||
|
24 0 26 27 27 0 29 30 30 0
|
||
|
32 33 33 0 35 36 36 0 38 39
|
||
|
39 0 41 42 42 0 44 45 45 0
|
||
|
47 48 48 0 50 51 51 0 53 54
|
||
|
54 0 56 57 57 0 59 60 60 0
|
||
|
62 63 63 0 65 66 66 0 68 69
|
||
|
69 0 71 72 72 0 74 75 75 0
|
||
|
77 78 78 0 80 81 81 0 83 84
|
||
|
84 0 86 87 87 0 89 90 90 0
|
||
|
92 93 93 0 95 96 96 0 98 99
|
||
|
99 0 101 102 102 0 104 105 105 0
|
||
|
107 108 108 0 110 111 111 0 113 114
|
||
|
114 0 116 117 117 0 119 120 120 0
|
||
|
122 123 123 0 125 126 126 0 128 129
|
||
|
129 0 131 132 132 0 134 135 135 0
|
||
|
137 138 138 0 140 141 141 0 143 144
|
||
|
144 0 146 147 147 0 149 150 150 0
|
||
|
152 153 153 0 155 156 156 0 158 159
|
||
|
159 0 161 162 162 0 164 165 165 0
|
||
|
167 168 168 0 170 171 171 0 173 174
|
||
|
174 0 176 177 177 0 179 180 180 0
|
||
|
182 183 183 0 185 186 186 0 188 189
|
||
|
189 0 191 192 192 0 194 195 195 0
|
||
|
197 198 198 0 200 201 201 0 203 204
|
||
|
204 0 206 207 207 0 209 210 210 0
|
||
|
212 213 213 0 215 216 216 0 218 219
|
||
|
219 0 221 222 222 0 224 225 225 0
|
||
|
227 228 228 0 230 231 231 0 233 234
|
||
|
234 0 236 237 237 0 239 240 240 0
|
||
|
242 243 243 0 245 246 246 0 248 249
|
||
|
249 0 251 252 252 0 254 255 255 0
|
||
|
257 258 258 0 260 261 261 0 263 264
|
||
|
264 0 266 267 267 0 269 270 270 0
|
||
|
272 273 273 0 275 276 276 0 278 279
|
||
|
279 0 281 282 282 0 284 285 285 0
|
||
|
287 288 288 0 290 291 291 0 293 294
|
||
|
294 0 296 297 297 0 299 300 300 0
|
||
|
302 303 304 305 306 307 308 303 304 305
|
||
|
306 307 308 304 305 306 307 308 305 306
|
||
|
307 308 306 0 308 0 310 311 312 313
|
||
|
314 315 316 311 312 313 314 315 316 312
|
||
|
313 314 315 316 313 314 315 316 314 0
|
||
|
316 0 318 319 320 321 322 323 324 319
|
||
|
320 321 322 323 324 320 321 322 323 324
|
||
|
321 322 323 324 322 0 324 0 326 327
|
||
|
328 329 330 331 332 327 328 329 330 331
|
||
|
332 328 329 330 331 332 329 330 331 332
|
||
|
330 0 332 0 334 335 336 337 338 339
|
||
|
340 335 336 337 338 339 340 336 337 338
|
||
|
339 340 337 338 339 340 338 0 340 0
|
||
|
342 343 344 345 346 347 348 343 344 345
|
||
|
346 347 348 344 345 346 347 348 345 346
|
||
|
347 348 346 0 348 0 350 351 352 353
|
||
|
354 355 356 351 352 353 354 355 356 352
|
||
|
353 354 355 356 353 354 355 356 354 0
|
||
|
356 0 358 359 360 361 362 363 364 359
|
||
|
360 361 362 363 364 360 361 362 363 364
|
||
|
361 362 363 364 362 0 364 0 366 367
|
||
|
368 369 370 371 372 367 368 369 370 371
|
||
|
372 368 369 370 371 372 369 370 371 372
|
||
|
370 0 372 0 374 375 376 375 376 376
|
||
|
0 378 379 380 379 380 380 0 382 383
|
||
|
384 383 384 384 0 386 387 388 387 388
|
||
|
388 0 390 391 392 391 392 392 0 394
|
||
|
395 396 395 396 396 0 398 399 400 399
|
||
|
400 400 0 402 403 404 403 404 404 0
|
||
|
406 407 408 407 408 408 0 410 411 412
|
||
|
411 412 412 0 414 415 416 415 416 416
|
||
|
0 418 419 420 419 420 420 0 422 423
|
||
|
424 423 424 424 0 426 427 428 427 428
|
||
|
428 0 430 431 432 431 432 432 0
|
||
|
%FLAG HBOND_ACOEF
|
||
|
%FORMAT(5E16.8)
|
||
|
|
||
|
%FLAG HBOND_BCOEF
|
||
|
%FORMAT(5E16.8)
|
||
|
|
||
|
%FLAG HBCUT
|
||
|
%FORMAT(5E16.8)
|
||
|
|
||
|
%FLAG AMBER_ATOM_TYPE
|
||
|
%FORMAT(20a4)
|
||
|
oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho
|
||
|
ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh
|
||
|
ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho
|
||
|
oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho
|
||
|
ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh
|
||
|
ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho
|
||
|
oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho
|
||
|
ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh
|
||
|
ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho
|
||
|
oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho
|
||
|
ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh
|
||
|
ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho
|
||
|
oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho
|
||
|
ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh
|
||
|
ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho oh ho ho
|
||
|
c2 o n n hn hn hn hn c2 o n n hn hn hn hn c2 o n n
|
||
|
hn hn hn hn c2 o n n hn hn hn hn c2 o n n hn hn hn hn
|
||
|
c2 o n n hn hn hn hn c2 o n n hn hn hn hn c2 o n n
|
||
|
hn hn hn hn c2 o n n hn hn hn hn n3 hn hn hn n3 hn hn hn
|
||
|
n3 hn hn hn n3 hn hn hn n3 hn hn hn n3 hn hn hn n3 hn hn hn
|
||
|
n3 hn hn hn n3 hn hn hn n3 hn hn hn n3 hn hn hn n3 hn hn hn
|
||
|
n3 hn hn hn n3 hn hn hn n3 hn hn hn
|
||
|
%FLAG TREE_CHAIN_CLASSIFICATION
|
||
|
%FORMAT(20a4)
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
|
||
|
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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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BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
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modified Bondi radii (mbondi)
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01
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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00
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8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01
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1.70000000E+00 1.50000000E+00 1.55000000E+00 1.55000000E+00 1.30000000E+00
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1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.55000000E+00
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1.30000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00
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1.50000000E+00 1.55000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00
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1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00
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1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00
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1.70000000E+00 1.50000000E+00 1.55000000E+00 1.55000000E+00 1.30000000E+00
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1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00
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1.55000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00
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1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.55000000E+00
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1.30000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00
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1.50000000E+00 1.55000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00
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1.30000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00
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1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00
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1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00
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1.30000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00
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1.30000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00
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1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00
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1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00
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1.30000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00
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1.30000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00
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1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00
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1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00
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1.30000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00
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1.30000000E+00 1.30000000E+00
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
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|
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
|
||
|
7.20000000E-01 8.50000000E-01 7.90000000E-01 7.90000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01
|
||
|
7.90000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.90000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01
|
||
|
8.50000000E-01 7.90000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01
|
||
|
7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
7.20000000E-01 8.50000000E-01 7.90000000E-01 7.90000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01
|
||
|
7.90000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.90000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01
|
||
|
8.50000000E-01 7.90000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
|
||
|
7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01
|
||
|
8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01
|
||
|
8.50000000E-01 8.50000000E-01
|
||
|
%FLAG IPOL
|
||
|
%FORMAT(1I8)
|
||
|
0
|