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17 lines
470 B
17 lines
470 B
2 years ago
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@<TRIPOS>MOLECULE
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SLV
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3 2 1 0 0
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SMALL
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bcc
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@<TRIPOS>ATOM
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1 O -3.6160 1.6820 -0.0060 oh 1 SLV -0.383000
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2 H -2.6270 1.6400 0.0040 ho 0 SLV 0.191000
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3 H1 -3.9050 0.7620 0.2180 ho 0 SLV 0.191000
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@<TRIPOS>BOND
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1 1 2 1
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2 1 3 1
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@<TRIPOS>SUBSTRUCTURE
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1 SLV 1 TEMP 0 **** **** 0 ROOT
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