CNRS Nantes University UFIP UFIP
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elNémo ID: 22033117533853924

Job options:

ID        	=	 22033117533853924
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:       2.4      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     116.360 127.061 122.750  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     117.780 126.553 123.002  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     118.708 127.062 121.898  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     117.987 126.991 120.551  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     119.018 126.935 119.422  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     118.331 126.508 118.124  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     116.819 126.692 118.261  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     114.625 126.432 117.092  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     116.120 126.110 117.031  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     115.395 125.874 122.698  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     116.146 124.589 123.046  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     115.326 123.380 122.592  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     116.263 122.201 122.318  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.268 121.261 123.524  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     115.045 120.344 123.462  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     114.685 120.084 122.021  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     113.474 120.434 121.558  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     115.487 119.562 121.283  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:       2.6      0.849      1.626
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     117.736 126.581 122.068  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     118.430 127.028 120.780  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     117.412 127.062 119.637  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     117.616 125.842 118.736  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     118.281 126.278 117.430  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     117.231 126.896 116.503  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.933 126.091 116.594  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     114.013 126.714 118.066  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     114.752 127.047 116.768  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     116.371 125.977 121.730  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     115.544 125.839 123.009  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     115.709 124.427 123.573  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     115.763 123.420 122.422  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.577 122.198 122.850  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     115.629 121.053 123.209  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     115.004 120.504 121.951  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     113.815 120.969 121.535  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     115.574 119.648 121.318  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:       2.9      2.525      6.567
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     118.094 126.820 123.773  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     117.200 125.579 123.773  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     116.252 125.632 122.573  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     115.496 124.307 122.461  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.317 123.194 123.115  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     115.786 121.833 122.660  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     116.282 120.746 123.615  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     114.986 120.737 125.752  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     115.091 120.131 124.351  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     118.799 126.941 122.420  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     117.756 126.980 121.302  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     118.462 127.060 119.948  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     117.428 126.956 118.825  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     118.078 126.337 117.587  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     117.020 126.139 116.500  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     115.699 125.800 117.141  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     114.581 126.432 116.748  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     115.646 124.958 118.006  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:       3.4      3.056      6.728
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     116.955 127.040 122.455  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     115.454 126.862 122.688  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     115.183 125.455 123.224  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     115.984 124.436 122.412  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.317 123.230 123.292  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     116.493 121.990 122.414  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.435 120.949 122.781  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     114.991 120.423 125.183  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     115.909 120.144 123.992  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     117.276 126.790 120.980  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     116.032 127.062 120.133  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     115.935 126.020 119.019  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     115.336 126.664 117.766  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.076 126.157 116.528  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     117.244 125.269 116.959  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     118.412 126.133 117.360  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     119.085 125.869 118.491  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     118.743 127.062 116.662  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:       3.7      2.552      6.653
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     116.774 126.454 122.398  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     115.356 126.156 122.887  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     115.117 124.645 122.872  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     116.440 123.922 122.611  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.168 122.439 122.353  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     115.793 121.752 123.668  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.578 120.258 123.421  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     115.066 119.220 121.206  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     114.503 120.068 122.349  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     116.929 125.969 120.955  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     118.162 126.621 120.327  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     117.836 127.057 118.898  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     118.832 126.417 117.929  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     118.288 126.508 116.503  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     116.861 127.058 116.536  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     115.888 125.921 116.720  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     116.342 124.683 116.974  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     114.700 126.124 116.641  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:       3.9      1.596      1.812
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     116.312 127.062 122.845  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     117.774 126.617 122.905  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     118.458 126.927 121.572  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     117.402 127.049 120.472  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     117.959 126.484 119.165  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     116.805 125.998 118.285  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     116.480 127.061 117.235  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     114.011 126.874 117.567  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     115.152 126.721 116.558  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     115.403 125.831 122.828  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     116.237 124.577 123.094  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     115.879 123.499 122.070  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     116.948 122.404 122.085  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     116.534 121.300 123.059  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     115.802 121.919 124.251  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     115.202 120.824 125.096  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     114.217 120.058 124.601  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     115.608 120.636 126.218  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      3.580      7.887
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     116.082 123.406 123.393  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     115.859 122.083 122.659  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     116.185 120.918 123.596  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     114.960 120.594 124.453  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     115.360 120.583 125.930  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     115.182 121.985 126.518  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     115.731 122.013 127.945  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     115.599 123.440 129.992  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     114.800 122.839 128.833  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     116.561 124.467 122.399  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     116.253 125.860 122.951  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     116.598 126.914 121.899  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     118.114 126.957 121.696  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     118.428 127.036 120.202  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     117.122 127.062 119.407  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     117.177 126.025 118.314  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     118.052 126.160 117.305  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     116.435 125.073 118.348  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:       4.7      3.529      4.262
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     115.731 123.451 122.314  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     116.018 124.694 123.158  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     117.276 125.389 122.634  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     116.916 126.788 122.133  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     117.637 127.059 120.812  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     116.624 127.048 119.665  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     116.990 125.946 118.671  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     115.076 126.872 117.359  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     116.507 126.339 117.274  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     116.511 122.260 122.876  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     115.561 121.079 123.081  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     115.827 120.442 124.446  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     114.859 121.023 125.479  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     115.651 121.634 126.636  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     114.683 122.212 127.668  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     115.450 122.637 128.895  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     115.075 123.732 129.574  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     116.400 121.990 129.266  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:       4.7      1.214      1.968
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     116.118 124.905 121.932  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   UNL     1     116.130 126.377 122.347  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   UNL     1     117.575 126.877 122.415  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   UNL     1     118.138 127.006 120.999  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   UNL     1     116.986 127.062 119.995  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   UNL     1     117.475 126.578 118.628  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   UNL     1     116.444 125.621 118.027  0.00  0.00    -0.000 C 
BRANCH   7   9
ATOM      8  C   UNL     1     114.723 126.671 116.550  0.00  0.00    +0.004 C 
ATOM      9  C   UNL     1     116.122 126.052 116.595  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     116.167 124.022 123.180  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   UNL     1     116.972 122.757 122.878  0.00  0.00    +0.000 C 
BRANCH  11  12
ATOM     12  C   UNL     1     116.460 121.607 123.748  0.00  0.00    +0.000 C 
BRANCH  12  13
ATOM     13  C   UNL     1     115.041 121.233 123.317  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   UNL     1     115.103 120.155 122.234  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   UNL     1     114.244 120.579 121.041  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   UNL     1     114.799 119.968 119.780  0.00  0.00    +0.042 C 
ATOM     17  O   UNL     1     115.782 119.057 119.852  0.00  0.00    -0.550 OA
ATOM     18  O   UNL     1     114.358 120.298 118.705  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.