CNRS Nantes University UFIP UFIP
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elNémo ID: 22033117251034562

Job options:

ID        	=	 22033117251034562
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:       4.7      0.000      0.000
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     117.139 124.874 123.629  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     118.045 125.817 123.687  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     116.115 124.881 122.523  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     115.270 123.608 122.601  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.172 122.385 122.430  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     115.401 121.278 121.707  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.312 120.046 122.608  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     115.949 120.357 123.964  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     113.670 119.495 124.514  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     114.895 120.227 125.065  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     117.965 126.999 122.755  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     119.042 126.871 121.675  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     118.408 127.062 120.298  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.987 126.494 120.306  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     116.579 126.120 118.880  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     117.381 126.961 117.884  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     116.672 126.958 116.528  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     115.501 126.010 116.575  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     114.248 126.491 116.615  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     115.691 124.816 116.577  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
ENDMDL
MODEL 2
REMARK VINA RESULT:       5.2      2.609      6.662
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     116.676 126.593 119.995  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     116.854 126.421 121.280  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     117.820 127.060 119.132  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     118.325 125.895 118.278  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     117.767 126.021 116.860  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     116.571 126.975 116.865  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.301 126.204 116.501  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     114.073 127.033 116.883  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     112.386 126.995 118.725  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     113.881 126.991 118.400  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     118.147 126.849 121.926  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     117.989 126.826 123.449  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     117.869 125.379 123.927  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.775 124.666 123.128  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     116.864 123.158 123.376  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     116.021 122.421 122.333  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     115.626 121.047 122.878  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     114.918 120.264 121.801  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     113.711 120.659 121.367  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     115.438 119.281 121.328  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
ENDMDL
MODEL 3
REMARK VINA RESULT:       5.3      1.088      1.924
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     117.060 124.556 123.619  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     117.589 125.734 123.830  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     116.397 124.253 122.300  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     115.822 122.835 122.330  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     115.990 122.246 123.732  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     115.725 120.740 123.689  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     114.674 120.437 122.620  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     115.319 119.649 121.478  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     115.103 119.703 118.989  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     114.340 119.553 120.307  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     117.389 126.841 122.827  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     118.684 127.059 122.042  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     118.382 127.042 120.543  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     117.132 126.198 120.284  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     117.144 125.699 118.838  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     117.619 126.824 117.915  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     116.575 127.062 116.823  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     115.422 126.110 117.015  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     114.225 126.575 117.406  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     115.575 124.928 116.815  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
ENDMDL
MODEL 4
REMARK VINA RESULT:       5.7      1.224      1.625
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     117.047 124.563 123.598  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     117.645 125.725 123.677  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     116.252 124.207 122.368  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     115.453 122.928 122.629  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.101 122.146 123.772  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     115.636 120.689 123.722  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.194 120.245 125.118  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     115.861 121.133 126.171  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     115.261 122.371 128.255  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     114.805 122.014 126.839  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     117.401 126.772 122.620  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     118.675 126.970 121.794  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     118.322 126.985 120.307  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     117.112 126.080 120.060  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     117.178 125.517 118.639  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     117.590 126.627 117.669  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     116.408 126.976 116.763  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     115.429 125.831 116.751  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     114.109 126.075 116.779  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     115.832 124.691 116.717  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
ENDMDL
MODEL 5
REMARK VINA RESULT:       5.8      2.711      4.090
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     115.596 121.609 122.486  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     115.751 122.844 122.080  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     116.143 121.182 123.824  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     115.013 120.605 124.678  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     115.450 120.562 126.143  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     115.084 121.882 126.824  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.806 121.979 128.169  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     115.222 123.139 128.979  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     115.660 124.266 131.165  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     115.500 122.914 130.466  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     116.619 123.793 122.865  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     116.084 125.219 122.714  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     117.240 126.166 122.392  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.923 126.943 121.112  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     118.189 127.062 120.262  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     117.838 126.828 118.791  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     116.342 127.062 118.580  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     115.841 126.159 117.482  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     116.691 125.332 116.853  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     114.675 126.180 117.167  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
ENDMDL
MODEL 6
REMARK VINA RESULT:       6.6      2.289      6.447
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     117.463 127.051 122.875  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     118.000 125.986 123.415  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     116.295 126.910 121.933  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     116.783 127.049 120.490  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     118.293 126.811 120.436  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     118.661 126.165 119.099  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     118.142 127.033 117.952  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     117.399 126.155 116.942  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     114.916 126.351 117.143  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     116.149 125.567 117.600  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     117.566 124.614 122.969  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     116.064 124.624 122.674  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     115.432 123.335 123.199  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.480 122.220 123.212  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     115.880 120.949 122.608  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     114.652 121.314 121.771  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     114.169 120.078 121.010  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     114.881 119.994 119.684  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     116.204 119.769 119.645  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     114.260 120.130 118.656  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
ENDMDL
MODEL 7
REMARK VINA RESULT:       6.6      4.421      8.716
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     116.495 124.514 123.414  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     116.169 123.263 123.621  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     116.375 125.106 122.033  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     117.042 126.483 122.007  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.961 127.062 120.594  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     117.552 126.062 119.597  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     118.179 126.820 118.425  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     117.136 127.008 117.323  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     114.842 126.369 116.568  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     115.962 126.057 117.562  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     115.838 122.368 122.454  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     116.094 120.909 122.842  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     116.033 120.767 124.363  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     114.650 120.255 124.773  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     114.450 120.471 126.274  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     115.141 121.770 126.697  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     114.464 122.320 127.954  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     115.515 122.710 128.961  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     116.525 121.870 129.237  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     115.448 123.779 129.521  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
ENDMDL
MODEL 8
REMARK VINA RESULT:       7.2      3.376      7.285
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     117.557 127.062 122.805  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     118.096 126.084 123.487  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     116.511 126.767 121.761  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     117.192 126.486 120.420  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.780 125.102 119.917  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     116.592 125.144 118.399  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     117.308 126.370 117.830  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     116.415 127.045 116.787  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     114.296 127.060 118.110  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     114.999 126.476 116.883  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     117.800 124.653 123.116  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     116.403 124.275 123.615  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     116.261 122.753 123.632  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.361 122.215 122.203  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     115.115 121.386 121.882  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     115.190 120.048 122.622  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     114.420 120.151 123.940  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     115.391 120.137 125.092  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     115.609 121.256 125.801  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     115.975 119.118 125.378  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
ENDMDL
MODEL 9
REMARK VINA RESULT:       7.3      2.677      7.070
REMARK  Name = 
REMARK  16 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: _10  and  _11
REMARK   10  A    between atoms: _11  and  _12
REMARK   11  A    between atoms: _12  and  _13
REMARK   12  A    between atoms: _13  and  _14
REMARK   13  A    between atoms: _14  and  _15
REMARK   14  A    between atoms: _15  and  _16
REMARK   15  A    between atoms: _16  and  _17
REMARK   16  A    between atoms: _17  and  _18
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNL     1     117.154 127.057 123.113  0.00  0.00    -0.031 C 
ATOM      2  C   UNL     1     118.031 126.298 123.721  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   UNL     1     115.924 126.442 122.497  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   UNL     1     115.679 127.061 121.119  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.231 126.132 120.037  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     116.123 126.816 118.673  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.719 125.786 117.616  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   UNL     1     116.798 125.716 116.533  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   UNL     1     119.125 126.610 116.695  0.00  0.00    +0.004 C 
ATOM     10  C   UNL     1     117.647 126.987 116.574  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   2  11
ATOM     11  C   UNL     1     117.900 124.797 123.659  0.00  0.00    +0.027 C 
BRANCH  11  12
ATOM     12  C   UNL     1     116.514 124.427 123.126  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   UNL     1     116.632 123.223 122.191  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.840 121.952 123.018  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   UNL     1     115.960 122.008 124.268  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   UNL     1     115.259 120.660 124.458  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   UNL     1     115.445 119.808 123.201  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   UNL     1     114.202 119.889 122.352  0.00  0.00    +0.042 C 
ATOM     19  O   UNL     1     113.132 119.137 122.654  0.00  0.00    -0.550 OA
ATOM     20  O   UNL     1     114.170 120.630 121.398  0.00  0.00    -0.550 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 15
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.