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Update segment files to current file format
This commit is contained in:
parent
9e40ac5ee3
commit
8bb6e181cf
4 changed files with 8 additions and 7 deletions
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@ -1,7 +1,7 @@
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# This is an automatically generated segment file
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# This is an automatically generated segment file
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#
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4.600000
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5 4 6 0 0 0 1
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5 4 6 0 0 0 1 1
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0.000000
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1 C1 0 0 0 1 1
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CT -0.384700 0.000000
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@ -1,7 +1,7 @@
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# This is an automatically generated segment file
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# This is an automatically generated segment file
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#
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4.600000
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6 5 7 3 0 0 1
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6 5 7 3 0 0 1 1
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0.000000
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1 C1 0 0 0 1 1
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CT 0.161604 0.000000
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@ -1,6 +1,7 @@
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#
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$spce
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4.600000
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3 3 0 0 0 0 1
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3 3 0 0 0 0 1 1
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5.220000
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1 OW 1 1 0 1 1
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OWS -0.847600 0.000000
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@ -1,7 +1,7 @@
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# This is an automatically generated segment file
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# This is an automatically generated segment file
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#
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4.600000
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13 13 25 33 0 0 1
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13 13 25 33 0 0 1 1
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0.000000
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1 C1 0 0 0 1 1
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CT 0.347397 0.000000
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