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28 lines
580 B
Text
28 lines
580 B
Text
PSF
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1 !NTITLE
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None
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4 !NATOM
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1 NM00 1 NAME Br Br 0.0000 79.904000 0
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2 NM00 1 NAME Cl Cl 0.0000 35.453000 0
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3 NM00 1 NAME C C 0.0000 14.006700 0
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4 NM00 1 NAME H H 0.0000 1.007940 0
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3 !NBOND
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3 1 3 2 4 3
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3 !NTHETA
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1 3 2 1 3 4 2 3 4
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0 !NPHI
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2 !NIMPHI
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3 1 2 4 3 2 1 4
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0 !NDON
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0 !NNB
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0 !NGRP
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