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19 lines
576 B
19 lines
576 B
2 years ago
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@<TRIPOS>MOLECULE
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AMK
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4 3 1 0 0
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SMALL
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bcc
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@<TRIPOS>ATOM
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1 N -3.9260 2.0200 -0.0150 n3 1 AMK -0.396000
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2 H -2.8830 2.0330 0.0010 hn 1 AMK 0.132000
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3 H1 -4.2640 3.0010 -0.1320 hn 1 AMK 0.132000
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4 H2 -4.2640 1.6640 0.9050 hn 1 AMK 0.132000
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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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3 1 4 1
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@<TRIPOS>SUBSTRUCTURE
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1 AMK 1 TEMP 0 **** **** 0 ROOT
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