23 lines
1.3 KiB
Plaintext
23 lines
1.3 KiB
Plaintext
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 1.072 -0.034 0.065 0.00 0.00 +0.000 C
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ATOM 2 C UNL 1 2.605 0.066 0.105 0.00 0.00 +0.000 C
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ATOM 3 C UNL 1 3.091 1.238 1.006 0.00 0.00 +0.000 C
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ATOM 4 C UNL 1 2.618 0.999 2.453 0.00 0.00 +0.000 C
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ATOM 5 C UNL 1 3.062 -0.398 2.901 0.00 0.00 +0.000 C
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ATOM 6 C UNL 1 3.919 -1.050 1.798 0.00 0.00 +0.000 C
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ATOM 7 O UNL 1 3.107 -1.189 0.613 0.00 0.00 +0.000 OA
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ATOM 8 C UNL 1 5.123 -0.150 1.460 0.00 0.00 +0.000 C
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ATOM 9 C UNL 1 4.631 1.242 1.053 0.00 0.00 +0.000 C
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ATOM 10 C UNL 1 4.378 -2.443 2.217 0.00 0.00 +0.000 C
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ATOM 11 C UNL 1 3.100 0.208 -1.344 0.00 0.00 +0.000 C
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ENDROOT
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TORSDOF 0
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