CNRS Nantes University US2B US2B
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***  output  ***

elNémo ID: 2404220252371793331

Job options:

ID        	=	 2404220252371793331
JOBID     	=	 output
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:

HEADER output

ATOM      1  C10 UNL     1       0.895  67.522  69.097  1.00  0.00           C
ATOM      2  O1  UNL     1       0.081  67.779  68.185  1.00  0.00           O
ATOM      3  N2  UNL     1       1.806  68.466  69.533  1.00  0.00           N
ATOM      4  H14 UNL     1       2.506  68.186  70.179  1.00  0.00           H
ATOM      5  C5  UNL     1       2.041  64.275  70.734  1.00  0.00           C
ATOM      6  C6  UNL     1       0.789  63.754  71.128  1.00  0.00           C
ATOM      7  C7  UNL     1      -0.385  64.444  70.843  1.00  0.00           C
ATOM      8  C8  UNL     1      -0.350  65.668  70.180  1.00  0.00           C
ATOM      9  C9  UNL     1       0.883  66.211  69.809  1.00  0.00           C
ATOM     10  C22 UNL     1       2.068  65.523  70.072  1.00  0.00           C
ATOM     11  N1  UNL     1       3.241  63.609  71.099  1.00  0.00           N
ATOM     12  H10 UNL     1       4.015  64.249  71.056  1.00  0.00           H
ATOM     13  C1  UNL     1       4.927  61.840  70.899  1.00  0.00           C
ATOM     14  C2  UNL     1       3.600  62.392  70.345  1.00  0.00           C
ATOM     15  C3  UNL     1       3.800  62.654  68.842  1.00  0.00           C
ATOM     16  C4  UNL     1       2.545  61.288  70.490  1.00  0.00           C
ATOM     17  C11 UNL     1       1.999  69.725  68.866  1.00  0.00           C
ATOM     18  C12 UNL     1       3.354  69.885  68.228  1.00  0.00           C
ATOM     19  C13 UNL     1       4.332  70.576  68.910  1.00  0.00           C
ATOM     20  C14 UNL     1       5.609  70.781  68.341  1.00  0.00           C
ATOM     21  C15 UNL     1       5.894  70.288  67.092  1.00  0.00           C
ATOM     22  C16 UNL     1       4.910  69.567  66.362  1.00  0.00           C
ATOM     23  C17 UNL     1       5.195  69.054  65.066  1.00  0.00           C
ATOM     24  C18 UNL     1       4.242  68.359  64.365  1.00  0.00           C
ATOM     25  C19 UNL     1       2.962  68.144  64.929  1.00  0.00           C
ATOM     26  C20 UNL     1       2.660  68.629  66.178  1.00  0.00           C
ATOM     27  C21 UNL     1       3.625  69.356  66.931  1.00  0.00           C
ATOM     28  HC  UNL     1       0.739  62.798  71.674  1.00  0.00           H
ATOM     29  HC1 UNL     1      -1.353  64.017  71.150  1.00  0.00           H
ATOM     30  HC2 UNL     1      -1.279  66.209  69.939  1.00  0.00           H
ATOM     31  HC3 UNL     1       3.031  65.950  69.749  1.00  0.00           H
ATOM     32  HC4 UNL     1       1.192  69.861  68.088  1.00  0.00           H
ATOM     33  HC5 UNL     1       1.866  70.541  69.638  1.00  0.00           H
ATOM     34  HC6 UNL     1       4.128  70.988  69.911  1.00  0.00           H
ATOM     35  HC7 UNL     1       6.365  71.340  68.911  1.00  0.00           H
ATOM     36  HC8 UNL     1       6.883  70.442  66.635  1.00  0.00           H
ATOM     37  HC9 UNL     1       6.195  69.229  64.640  1.00  0.00           H
ATOM     38 HC10 UNL     1       4.459  67.962  63.362  1.00  0.00           H
ATOM     39 HC11 UNL     1       2.211  67.584  64.353  1.00  0.00           H
ATOM     40 HC12 UNL     1       1.660  68.449  66.610  1.00  0.00           H
ATOM     41 HC13 UNL     1       5.750  62.584  70.779  1.00  0.00           H
ATOM     42 HC14 UNL     1       4.825  61.584  71.980  1.00  0.00           H
ATOM     43 HC15 UNL     1       5.199  60.917  70.335  1.00  0.00           H
ATOM     44 HC16 UNL     1       2.868  63.069  68.389  1.00  0.00           H
ATOM     45 HC17 UNL     1       4.633  63.377  68.675  1.00  0.00           H
ATOM     46 HC18 UNL     1       4.052  61.698  68.327  1.00  0.00           H
ATOM     47 HC19 UNL     1       1.595  61.580  69.981  1.00  0.00           H
ATOM     48 HC20 UNL     1       2.334  61.079  71.566  1.00  0.00           H
ATOM     49 HC21 UNL     1       2.929  60.354  70.014  1.00  0.00           H



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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.