CNRS Nantes University UFIP UFIP
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***    ***

elNémo ID: 22033117551757466

Job options:

ID        	=	 22033117551757466
JOBID     	=	 
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:


MODEL 1
REMARK VINA RESULT:      -4.9      0.000      0.000
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      11.754  41.120  68.246  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      12.925  40.139  68.318  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      12.707  39.167  69.479  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      12.445  39.955  70.763  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1      13.775  40.422  71.357  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1      13.525  41.082  72.714  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1      14.822  41.715  73.220  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1      17.157  40.957  73.685  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1      16.018  40.943  72.663  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1      12.065  42.212  67.221  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1      13.481  42.016  66.679  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1      13.497  42.303  65.177  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1      12.439  43.357  64.846  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1      12.191  43.377  63.337  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1      12.977  42.243  62.676  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1      13.575  42.734  61.382  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1      14.817  42.363  61.033  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1      12.935  43.460  60.659  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL
MODEL 2
REMARK VINA RESULT:      -4.7      4.646      8.858
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      13.087  40.328  68.098  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      11.827  41.188  68.207  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      11.851  42.268  67.123  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      13.261  42.377  66.541  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1      13.178  42.475  65.017  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1      12.570  43.823  64.623  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1      12.396  43.880  63.105  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1      11.561  42.118  61.542  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1      12.685  42.503  62.506  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1      13.203  39.433  69.334  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1      11.848  39.358  70.039  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1      12.062  39.309  71.552  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1      10.829  39.873  72.261  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1       9.624  39.808  71.321  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1       8.448  39.152  72.045  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1       7.486  38.585  71.031  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1       6.170  38.566  71.293  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1       7.902  38.150  69.984  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL
MODEL 3
REMARK VINA RESULT:      -4.7      1.448      2.131
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      10.970  41.075  69.090  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      10.232  40.909  70.419  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      10.698  39.624  71.106  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      10.923  39.892  72.595  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1      12.392  39.647  72.942  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1      13.161  40.968  72.873  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1      14.449  40.768  72.073  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1      16.296  41.882  73.334  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1      15.617  40.544  73.035  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1      12.186  40.146  69.061  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1      13.161  40.615  67.981  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1      12.517  41.736  67.163  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1      13.495  42.208  66.085  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1      12.749  43.062  65.058  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1      13.091  42.579  63.648  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1      12.044  43.070  62.680  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1      12.162  42.799  61.371  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1      11.100  43.705  63.084  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL
MODEL 4
REMARK VINA RESULT:      -4.6      5.014      7.651
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      13.250  41.144  67.595  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      11.777  41.538  67.712  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      11.672  42.986  68.198  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      10.525  43.106  69.202  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1       9.550  41.944  69.004  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1       9.182  41.348  70.365  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1       8.762  39.889  70.186  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1       9.516  40.091  72.560  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1       9.006  39.125  71.489  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1      13.487  39.828  68.340  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1      12.340  39.584  69.323  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1      12.874  39.645  70.754  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1      12.873  41.097  71.238  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1      13.384  41.156  72.678  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1      14.640  40.293  72.810  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1      15.774  41.132  73.342  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1      17.044  40.741  73.151  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1      15.539  42.155  73.938  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL
MODEL 5
REMARK VINA RESULT:      -4.6      4.498      9.250
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      12.594  40.561  68.133  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      12.303  41.897  67.447  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      13.290  42.106  66.296  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      13.106  43.508  65.713  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1      12.525  43.401  64.302  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1      13.220  42.266  63.548  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1      12.674  42.191  62.122  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1      13.298  44.094  60.627  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1      13.725  42.719  61.144  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1      11.615  40.358  69.292  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1      12.190  39.334  70.272  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1      11.530  39.511  71.640  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1      12.601  39.481  72.732  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1      13.309  40.836  72.791  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1      14.758  40.675  72.330  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1      15.685  41.230  73.382  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1      15.334  42.325  74.075  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1      16.742  40.687  73.601  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL
MODEL 6
REMARK VINA RESULT:      -4.6      4.837      6.908
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      10.644  42.973  69.153  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      11.931  42.567  68.435  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      11.872  41.079  68.083  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      13.293  40.532  67.936  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1      13.645  39.690  69.163  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1      12.363  39.134  69.787  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1      12.398  39.345  71.301  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1      12.484  41.693  72.152  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1      13.319  40.521  71.632  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1       9.754  41.742  69.343  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1       9.081  41.804  70.715  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1       8.854  40.385  71.236  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1       8.813  39.408  70.059  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1       7.691  38.392  70.278  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1       6.762  38.388  69.064  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1       6.008  39.692  69.003  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1       5.367  40.148  70.090  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1       5.983  40.327  67.975  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL
MODEL 7
REMARK VINA RESULT:      -4.6      5.837      8.096
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1       9.698  41.777  72.142  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      10.814  41.475  73.143  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      10.872  39.968  73.405  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      11.892  39.325  72.464  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1      13.143  40.202  72.391  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1      13.553  40.388  70.928  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1      12.798  39.384  70.055  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1      12.679  40.758  67.971  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1      13.279  39.503  68.608  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1      10.310  42.242  70.819  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1       9.526  41.637  69.653  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1       9.286  40.150  69.917  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1       7.801  39.830  69.726  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1       7.522  38.402  70.197  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1       7.762  38.306  71.704  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1       6.465  38.540  72.436  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1       5.298  38.449  71.779  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1       6.477  38.807  73.614  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL
MODEL 8
REMARK VINA RESULT:      -4.5      5.558      8.453
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      12.771  41.553  68.394  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      11.813  42.033  67.303  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      10.539  42.582  67.949  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      10.046  41.605  69.018  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1       8.583  41.905  69.348  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1       8.058  40.862  70.336  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1       8.694  39.504  70.032  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1       7.598  38.548  72.064  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1       7.788  38.388  70.554  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1      13.328  40.178  68.016  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1      13.029  39.180  69.135  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1      13.067  39.900  70.484  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1      11.950  39.363  71.382  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1      11.432  40.487  72.280  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1      11.289  39.971  73.713  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1      10.194  40.732  74.415  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1       9.217  41.313  73.701  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1      10.195  40.817  75.620  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL
MODEL 9
REMARK VINA RESULT:      -4.5      4.563      9.426
REMARK  Name = 
REMARK  15 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: _1  and  _2
REMARK    2  A    between atoms: _2  and  _3
REMARK    3  A    between atoms: _3  and  _4
REMARK    4  A    between atoms: _4  and  _5
REMARK    5  A    between atoms: _5  and  _6
REMARK    6  A    between atoms: _6  and  _7
REMARK    7  A    between atoms: _7  and  _8
REMARK    8  A    between atoms: _8  and  _9
REMARK    9  A    between atoms: _9  and  _10
REMARK   10  A    between atoms: _10  and  _11
REMARK   11  A    between atoms: _11  and  _12
REMARK   12  A    between atoms: _12  and  _13
REMARK   13  A    between atoms: _13  and  _14
REMARK   14  A    between atoms: _14  and  _15
REMARK   15  A    between atoms: _15  and  _16
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1      13.072  42.226  66.098  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1      13.152  43.483  65.230  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1      12.037  43.453  64.183  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1      12.651  43.459  62.782  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1      12.044  42.324  61.955  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1      10.621  42.701  61.538  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1      10.003  41.553  60.739  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1       8.237  39.880  61.309  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1       8.542  41.371  61.154  0.00  0.00    -0.003 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   UNL     1      11.929  42.372  67.104  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1      11.950  41.191  68.076  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1      13.273  40.438  67.934  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1      13.570  39.677  69.228  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1      12.261  39.156  69.826  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1      12.227  39.463  71.324  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1      10.801  39.688  71.758  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1       9.818  39.722  70.844  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1      10.543  39.836  72.929  0.00  0.00    -0.550 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
TORSDOF 14
ENDMDL



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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: October 18th, 2018.