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37 lines
898 B
Plaintext
37 lines
898 B
Plaintext
# Name: NoName
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# Creating user name: stiefni2
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# Creation time: 12. 06. 2008 13:32
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# Modifying user name: stiefni2
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# Modification time: 12. 06. 2008 13:32
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# Program: corina 3.40 0006 02.08.2006
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@<TRIPOS>MOLECULE
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NoName
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8 7 0 0 0
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SMALL
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NO_CHARGES
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@<TRIPOS>ATOM
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1 C1 -0.0225 1.8097 0.0120 C.3
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2 S2 0.0021 -0.0041 0.0020 S.o2
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3 O3 0.7082 -0.4700 1.1854 O.co2
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4 O4 -1.3684 -0.4918 0.0125 O.co2
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5 O5 0.6854 -0.4572 -1.1995 O.co2
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6 H6 1.0001 2.1870 0.0043 H
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7 H7 -0.5497 2.1708 -0.8711 H
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8 H8 -0.5327 2.1613 0.9088 H
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@<TRIPOS>BOND
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1 1 2 1
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2 1 6 1
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3 1 7 1
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4 1 8 1
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5 2 3 ar
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6 2 4 ar
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7 2 5 ar
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# End of record
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