CNRS Nantes University US2B US2B
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***  WYC-133  ***

elNémo ID: 241204134344964877

Job options:

ID        	=	 241204134344964877
JOBID     	=	 WYC-133
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 3
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:

HEADER WYC-133

CRYST1   49.345   49.345   49.345  90.00  90.00  90.00               0
ATOM      1  N   LIG     1      30.310  25.180  21.790  0.00  0.00           N  
ATOM      2  C1  LIG     1      19.810  22.380  21.340  0.00  0.00           C  
ATOM      3  O1  LIG     1      26.620  25.660  21.630  0.00  0.00           O  
ATOM      4  C2  LIG     1      18.630  23.130  21.260  0.00  0.00           C  
ATOM      5  O2  LIG     1      17.640  22.810  20.310  0.00  0.00           O  
ATOM      6  C3  LIG     1      20.790  22.710  22.280  0.00  0.00           C  
ATOM      7  C4  LIG     1      20.600  23.790  23.180  0.00  0.00           C  
ATOM      8  C5  LIG     1      19.420  24.550  23.060  0.00  0.00           C  
ATOM      9  C6  LIG     1      18.440  24.220  22.120  0.00  0.00           C  
ATOM     10  C7  LIG     1      21.670  24.150  24.120  0.00  0.00           C  
ATOM     11  C8  LIG     1      21.440  24.120  25.490  0.00  0.00           C  
ATOM     12  C9  LIG     1      20.130  23.590  26.060  0.00  0.00           C  
ATOM     13  C10 LIG     1      19.950  22.070  25.940  0.00  0.00           C  
ATOM     14  C11 LIG     1      22.450  24.590  26.460  0.00  0.00           C  
ATOM     15  C12 LIG     1      22.990  25.900  26.390  0.00  0.00           C  
ATOM     16  C13 LIG     1      23.920  26.340  27.350  0.00  0.00           C  
ATOM     17  C14 LIG     1      24.310  25.480  28.380  0.00  0.00           C  
ATOM     18  C15 LIG     1      23.770  24.200  28.470  0.00  0.00           C  
ATOM     19  C16 LIG     1      22.840  23.750  27.520  0.00  0.00           C  
ATOM     20  C17 LIG     1      22.970  24.530  23.510  0.00  0.00           C  
ATOM     21  C18 LIG     1      24.200  24.000  23.960  0.00  0.00           C  
ATOM     22  C19 LIG     1      23.000  25.420  22.410  0.00  0.00           C  
ATOM     23  C20 LIG     1      24.220  25.770  21.810  0.00  0.00           C  
ATOM     24  C21 LIG     1      25.430  25.260  22.280  0.00  0.00           C  
ATOM     25  C22 LIG     1      25.410  24.360  23.360  0.00  0.00           C  
ATOM     26  C23 LIG     1      27.850  25.140  22.130  0.00  0.00           C  
ATOM     27  C24 LIG     1      29.020  25.710  21.300  0.00  0.00           C  
ATOM     28  C25 LIG     1      30.720  25.680  23.100  0.00  0.00           C  
ATOM     29  C26 LIG     1      30.540  23.770  21.530  0.00  0.00           C  
ATOM     30  H1  LIG     1      19.970  21.550  20.670  0.00  0.00           H  
ATOM     31  H2  LIG     1      21.700  22.130  22.330  0.00  0.00           H  
ATOM     32  H3  LIG     1      19.260  25.410  23.700  0.00  0.00           H  
ATOM     33  H4  LIG     1      17.530  24.800  22.040  0.00  0.00           H  
ATOM     34  H5  LIG     1      19.250  24.110  25.610  0.00  0.00           H  
ATOM     35  H6  LIG     1      20.070  23.840  27.150  0.00  0.00           H  
ATOM     36  H7  LIG     1      20.790  21.530  26.420  0.00  0.00           H  
ATOM     37  H8  LIG     1      19.890  21.760  24.870  0.00  0.00           H  
ATOM     38  H9  LIG     1      19.000  21.760  26.430  0.00  0.00           H  
ATOM     39  H10 LIG     1      22.690  26.570  25.600  0.00  0.00           H  
ATOM     40  H11 LIG     1      24.330  27.330  27.280  0.00  0.00           H  
ATOM     41  H12 LIG     1      25.020  25.820  29.120  0.00  0.00           H  
ATOM     42  H13 LIG     1      24.070  23.540  29.280  0.00  0.00           H  
ATOM     43  H14 LIG     1      22.450  22.750  27.610  0.00  0.00           H  
ATOM     44  H15 LIG     1      24.210  23.290  24.790  0.00  0.00           H  
ATOM     45  H16 LIG     1      22.080  25.840  22.030  0.00  0.00           H  
ATOM     46  H17 LIG     1      24.230  26.460  20.980  0.00  0.00           H  
ATOM     47  H18 LIG     1      26.320  23.930  23.750  0.00  0.00           H  
ATOM     48  H19 LIG     1      27.850  24.030  22.040  0.00  0.00           H  
ATOM     49  H20 LIG     1      27.980  25.430  23.190  0.00  0.00           H  
ATOM     50  H21 LIG     1      29.020  26.820  21.380  0.00  0.00           H  
ATOM     51  H22 LIG     1      28.890  25.440  20.230  0.00  0.00           H  
ATOM     52  H23 LIG     1      30.270  25.060  23.920  0.00  0.00           H  
ATOM     53  H24 LIG     1      30.410  26.730  23.250  0.00  0.00           H  
ATOM     54  H25 LIG     1      31.820  25.630  23.210  0.00  0.00           H  
ATOM     55  H26 LIG     1      31.630  23.550  21.490  0.00  0.00           H  
ATOM     56  H27 LIG     1      30.100  23.470  20.550  0.00  0.00           H  
ATOM     57  H28 LIG     1      30.090  23.130  22.320  0.00  0.00           H  
ATOM     58  H29 LIG     1      17.960  22.060  19.810  0.00  0.00           H  
END



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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.