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19 lines
545 B
Plaintext
19 lines
545 B
Plaintext
@<TRIPOS>MOLECULE
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UNK
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6 4 0 0 0
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SMALL
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GASTEIGER
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@<TRIPOS>ATOM
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1 Ca 0.0000 0.0000 0.0000 Ca 1 UNL 1.0000
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2 C 0.0000 0.0000 0.0000 C.3 1 UNL -0.0305
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3 H 0.0000 0.0000 0.0000 H 1 UNL 0.0265
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4 H 0.0000 0.0000 0.0000 H 1 UNL 0.0265
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5 H 0.0000 0.0000 0.0000 H 1 UNL 0.0265
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6 H 0.0000 0.0000 0.0000 H 1 UNL 0.0265
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@<TRIPOS>BOND
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1 2 3 1
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2 2 4 1
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3 2 5 1
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4 2 6 1
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