23 lines
1.3 KiB
Plaintext
23 lines
1.3 KiB
Plaintext
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REMARK Name =
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REMARK 3 active torsions:
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REMARK status: ('A' for Active; 'I' for Inactive)
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REMARK 1 A between atoms: C_1 and C_2
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REMARK 2 A between atoms: C_2 and C_11
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REMARK 3 A between atoms: C_6 and C_10
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REMARK x y z vdW Elec q Type
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REMARK _______ _______ _______ _____ _____ ______ ____
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ROOT
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ATOM 1 C UNL 1 0.937 -0.135 -0.034 0.00 0.00 +0.000 C
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ATOM 2 C UNL 1 2.469 -0.028 0.003 0.00 0.00 +0.000 C
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ATOM 3 C UNL 1 2.954 1.145 0.903 0.00 0.00 +0.000 C
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ATOM 4 C UNL 1 2.482 0.909 2.351 0.00 0.00 +0.000 C
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ATOM 5 C UNL 1 2.921 -0.490 2.797 0.00 0.00 +0.000 C
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ATOM 6 C UNL 1 3.781 -1.141 1.697 0.00 0.00 +0.000 C
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ATOM 7 O UNL 1 2.972 -1.282 0.511 0.00 0.00 +0.000 OA
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ATOM 8 C UNL 1 4.986 -0.243 1.358 0.00 0.00 +0.000 C
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ATOM 9 C UNL 1 4.494 1.151 0.952 0.00 0.00 +0.000 C
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ATOM 10 C UNL 1 4.237 -2.536 2.112 0.00 0.00 +0.000 C
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ATOM 11 C UNL 1 2.966 0.109 -1.444 0.00 0.00 +0.000 C
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ENDROOT
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TORSDOF 0
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