Maria,

try the attached files - I got them from Garib awhile ago when I
experienced similar naming problems (although in my case NAD was
refined, but to the effect of severely distorted geometry).

Good luck,

Ed.

On Tue, 2010-10-26 at 15:08 +0200, Maria Hakansson wrote:
> Dear Paul,
> 
> 
> I have a rebuilding problem of a NAD molecule using coot. The NAD
> molecule was fetched using
> the load monomer command in coot and the restraints cif file was also
> in the library. However the program complains about 
> "Fails to match model atom names NN7 and NN1" and thus it is not
> possible to do real space refinement.
> 
> 
> I guess it is a naming issue. Any advice how to get around it? The
> coordinates are possible to refine using Refmac so it
> seems to be more coot related than general.
> 
> 
> Best regards,
> 
> 
> Maria 
> 
> > 
> > _________________________________________
> > 
> > 
> > Maria Håkansson, Ph.D.               
> > Phone: +46 (0) 76 8585 706
> > Fax: +46 (0) 46 19 12 77
> > Senior Scientist, SARomics Biostructures AB    
> > Scheelevägen 22 (P.O. Box 724)         
> > SE-220 07 Lund, Sweden     
> >   
> > Web address: www.saromics.com           
> > Email: maria.hakans...@saromics.com
> ___________________________________________
> 
> 

-- 
Edwin Pozharski, PhD, Assistant Professor
University of Maryland, Baltimore
----------------------------------------------
When the Way is forgotten duty and justice appear;
Then knowledge and wisdom are born along with hypocrisy.
When harmonious relationships dissolve then respect and devotion arise;
When a nation falls to chaos then loyalty and patriotism are born.
------------------------------   / Lao Tse /

global_
_lib_name         mon_lib
_lib_version      4.12
_lib_update       20/09/07
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
NAD      .   '.                                   ' non-polymer        70  44 .
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NAD
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 NAD           O7N    O    O         0.000      0.028   -0.024   -0.001
 NAD           C7N    C    C         0.000     -0.365   -0.929   -0.723
 NAD           N7N    N    NH2       0.000      0.450   -1.947   -0.951
 NAD           HN72   H    H         0.000      1.367   -1.959   -0.532
 NAD           HN71   H    H         0.000      0.151   -2.707   -1.543
 NAD           C3N    C    CR6       0.000     -1.720   -0.887   -1.317
 NAD           C2N    C    CR16      0.000     -2.554    0.197   -1.063
 NAD           H2N    H    H         0.000     -2.210    1.005   -0.429
 NAD           C4N    C    CR16      0.000     -2.177   -1.902   -2.132
 NAD           H4N    H    H         0.000     -1.549   -2.755   -2.354
 NAD           C5N    C    CR16      0.000     -3.447   -1.810   -2.657
 NAD           H5N    H    H         0.000     -3.819   -2.600   -3.299
 NAD           C6N    C    CR16      0.000     -4.249   -0.729   -2.378
 NAD           H6N    H    H         0.000     -5.250   -0.672   -2.787
 NAD           N1N    N    NR6       1.000     -3.786    0.245   -1.600
 NAD           C1D    C    CH1       0.000     -4.638    1.391   -1.342
 NAD           H1D    H    H         0.000     -4.264    1.900   -0.443
 NAD           O4D    O    O2        0.000     -6.014    1.028   -1.111
 NAD           C2D    C    CH1       0.000     -4.656    2.421   -2.507
 NAD           H2D    H    H         0.000     -4.391    1.919   -3.448
 NAD           O2D    O    OH1       0.000     -3.750    3.505   -2.264
 NAD           HO2D   H    H         0.000     -3.725    4.084   -3.039
 NAD           C3D    C    CH1       0.000     -6.119    2.933   -2.581
 NAD           H3D    H    H         0.000     -6.573    2.668   -3.546
 NAD           O3D    O    OH1       0.000     -6.189    4.348   -2.362
 NAD           HO3D   H    H         0.000     -7.098    4.650   -2.491
 NAD           C4D    C    CH1       0.000     -6.817    2.184   -1.429
 NAD           H4D    H    H         0.000     -6.833    2.844   -0.550
 NAD           C5D    C    CH2       0.000     -8.224    1.758   -1.719
 NAD           H5D1   H    H         0.000     -8.211    1.049   -2.550
 NAD           H5D2   H    H         0.000     -8.805    2.638   -2.003
 NAD           O5D    O    O2        0.000     -8.822    1.137   -0.565
 NAD           PN     P    P         0.000    -10.341    0.783   -0.932
 NAD           O1N    O    OP        0.000    -11.139    2.062   -1.118
 NAD           O2N    O    OP       -1.000    -10.304   -0.153   -2.137
 NAD           O3     O    O2        0.000    -11.057   -0.054    0.251
 NAD           PA     P    P         0.000    -12.274   -0.832   -0.475
 NAD           O1A    O    OP       -0.500    -12.877    0.169   -1.457
 NAD           O2A    O    OP       -0.500    -11.688   -2.088   -1.094
 NAD           O5B    O    O2        0.000    -13.428   -1.233    0.562
 NAD           C5B    C    CH2       0.000    -14.535   -1.782   -0.182
 NAD           H5B1   H    H         0.000    -14.169   -2.622   -0.777
 NAD           H5B2   H    H         0.000    -14.922   -1.008   -0.847
 NAD           C4B    C    CH1       0.000    -15.630   -2.254    0.733
 NAD           H4B    H    H         0.000    -15.200   -2.952    1.464
 NAD           C3B    C    CH1       0.000    -16.810   -2.958    0.009
 NAD           H3B    H    H         0.000    -16.660   -2.961   -1.080
 NAD           O3B    O    OH1       0.000    -16.926   -4.296    0.516
 NAD           HO3B   H    H         0.000    -17.705   -4.720    0.131
 NAD           C2B    C    CH1       0.000    -18.054   -2.120    0.396
 NAD           H2B    H    H         0.000    -18.299   -1.422   -0.417
 NAD           O2B    O    OH1       0.000    -19.190   -2.936    0.691
 NAD           HO2B   H    H         0.000    -19.915   -2.378    1.001
 NAD           C1B    C    CH1       0.000    -17.572   -1.333    1.634
 NAD           H1B    H    H         0.000    -17.713   -1.959    2.526
 NAD           O4B    O    O2        0.000    -16.165   -1.117    1.442
 NAD           N9A    N    NR5       0.000    -18.316   -0.083    1.815
 NAD           C4A    C    CR56      0.000    -19.461    0.024    2.482
 NAD           C5A    C    CR56      0.000    -19.831    1.457    2.364
 NAD           N7A    N    NRD5      0.000    -18.871    2.050    1.653
 NAD           C8A    C    CR15      0.000    -17.964    1.109    1.333
 NAD           H8A    H    H         0.000    -17.065    1.296    0.758
 NAD           N3A    N    NRD6      0.000    -20.286   -0.797    3.163
 NAD           C2A    C    CR16      0.000    -21.403   -0.308    3.714
 NAD           H2A    H    H         0.000    -22.039   -0.998    4.252
 NAD           N1A    N    NRD6      0.000    -21.794    0.977    3.649
 NAD           C6A    C    CR6       0.000    -21.079    1.916    3.003
 NAD           N6A    N    NH2       0.000    -21.468    3.205    2.935
 NAD           HN62   H    H         0.000    -22.325    3.495    3.380
 NAD           HN61   H    H         0.000    -20.900    3.875    2.439
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 NAD      O7N    n/a    C7N    START
 NAD      C7N    O7N    C3N    .
 NAD      N7N    C7N    HN71   .
 NAD      HN72   N7N    .      .
 NAD      HN71   N7N    .      .
 NAD      C3N    C7N    C4N    .
 NAD      C2N    C3N    H2N    .
 NAD      H2N    C2N    .      .
 NAD      C4N    C3N    C5N    .
 NAD      H4N    C4N    .      .
 NAD      C5N    C4N    C6N    .
 NAD      H5N    C5N    .      .
 NAD      C6N    C5N    N1N    .
 NAD      H6N    C6N    .      .
 NAD      N1N    C6N    C1D    .
 NAD      C1D    N1N    C2D    .
 NAD      H1D    C1D    .      .
 NAD      O4D    C1D    .      .
 NAD      C2D    C1D    C3D    .
 NAD      H2D    C2D    .      .
 NAD      O2D    C2D    HO2D   .
 NAD      HO2D   O2D    .      .
 NAD      C3D    C2D    C4D    .
 NAD      H3D    C3D    .      .
 NAD      O3D    C3D    HO3D   .
 NAD      HO3D   O3D    .      .
 NAD      C4D    C3D    C5D    .
 NAD      H4D    C4D    .      .
 NAD      C5D    C4D    O5D    .
 NAD      H5D1   C5D    .      .
 NAD      H5D2   C5D    .      .
 NAD      O5D    C5D    PN     .
 NAD      PN     O5D    O3     .
 NAD      O1N    PN     .      .
 NAD      O2N    PN     .      .
 NAD      O3     PN     PA     .
 NAD      PA     O3     O5B    .
 NAD      O1A    PA     .      .
 NAD      O2A    PA     .      .
 NAD      O5B    PA     C5B    .
 NAD      C5B    O5B    C4B    .
 NAD      H5B1   C5B    .      .
 NAD      H5B2   C5B    .      .
 NAD      C4B    C5B    C3B    .
 NAD      H4B    C4B    .      .
 NAD      C3B    C4B    C2B    .
 NAD      H3B    C3B    .      .
 NAD      O3B    C3B    HO3B   .
 NAD      HO3B   O3B    .      .
 NAD      C2B    C3B    C1B    .
 NAD      H2B    C2B    .      .
 NAD      O2B    C2B    HO2B   .
 NAD      HO2B   O2B    .      .
 NAD      C1B    C2B    N9A    .
 NAD      H1B    C1B    .      .
 NAD      O4B    C1B    .      .
 NAD      N9A    C1B    C4A    .
 NAD      C4A    N9A    N3A    .
 NAD      C5A    C4A    N7A    .
 NAD      N7A    C5A    C8A    .
 NAD      C8A    N7A    H8A    .
 NAD      H8A    C8A    .      .
 NAD      N3A    C4A    C2A    .
 NAD      C2A    N3A    N1A    .
 NAD      H2A    C2A    .      .
 NAD      N1A    C2A    C6A    .
 NAD      C6A    N1A    N6A    .
 NAD      N6A    C6A    HN61   .
 NAD      HN62   N6A    .      .
 NAD      HN61   N6A    .      END
 NAD      C4B    O4B    .    ADD
 NAD      N9A    C8A    .    ADD
 NAD      C5A    C6A    .    ADD
 NAD      C4D    O4D    .    ADD
 NAD      N1N    C2N    .    ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 NAD      O1A    PA        deloc       1.510    0.020
 NAD      O2A    PA        deloc       1.510    0.020
 NAD      O5B    PA        single      1.610    0.020
 NAD      PA     O3        single      1.610    0.020
 NAD      C5B    O5B       single      1.426    0.020
 NAD      C4B    C5B       single      1.524    0.020
 NAD      C4B    O4B       single      1.426    0.020
 NAD      C3B    C4B       single      1.524    0.020
 NAD      O4B    C1B       single      1.426    0.020
 NAD      O3B    C3B       single      1.432    0.020
 NAD      C2B    C3B       single      1.524    0.020
 NAD      O2B    C2B       single      1.432    0.020
 NAD      C1B    C2B       single      1.524    0.020
 NAD      N9A    C1B       single      1.485    0.020
 NAD      N9A    C8A       single      1.337    0.020
 NAD      C4A    N9A       single      1.337    0.020
 NAD      C8A    N7A       double      1.350    0.020
 NAD      N7A    C5A       single      1.350    0.020
 NAD      C5A    C6A       single      1.490    0.020
 NAD      C5A    C4A       double      1.490    0.020
 NAD      N6A    C6A       single      1.355    0.020
 NAD      C6A    N1A       double      1.350    0.020
 NAD      N1A    C2A       single      1.337    0.020
 NAD      C2A    N3A       double      1.337    0.020
 NAD      N3A    C4A       single      1.355    0.020
 NAD      O3     PN        single      1.610    0.020
 NAD      O1N    PN        deloc       1.510    0.020
 NAD      O2N    PN        deloc       1.510    0.020
 NAD      PN     O5D       single      1.610    0.020
 NAD      O5D    C5D       single      1.426    0.020
 NAD      C5D    C4D       single      1.524    0.020
 NAD      C4D    O4D       single      1.426    0.020
 NAD      C4D    C3D       single      1.524    0.020
 NAD      O4D    C1D       single      1.426    0.020
 NAD      O3D    C3D       single      1.432    0.020
 NAD      C3D    C2D       single      1.524    0.020
 NAD      O2D    C2D       single      1.432    0.020
 NAD      C2D    C1D       single      1.524    0.020
 NAD      C1D    N1N       single      1.465    0.020
 NAD      N1N    C2N       single      1.337    0.020
 NAD      N1N    C6N       double      1.337    0.020
 NAD      C2N    C3N       double      1.390    0.020
 NAD      C3N    C7N       single      1.500    0.020
 NAD      C4N    C3N       single      1.390    0.020
 NAD      C7N    O7N       double      1.220    0.020
 NAD      N7N    C7N       single      1.332    0.020
 NAD      C5N    C4N       double      1.390    0.020
 NAD      C6N    C5N       single      1.390    0.020
 NAD      H5B1   C5B       single      1.092    0.020
 NAD      H5B2   C5B       single      1.092    0.020
 NAD      H4B    C4B       single      1.099    0.020
 NAD      H3B    C3B       single      1.099    0.020
 NAD      HO3B   O3B       single      0.967    0.020
 NAD      H2B    C2B       single      1.099    0.020
 NAD      HO2B   O2B       single      0.967    0.020
 NAD      H1B    C1B       single      1.099    0.020
 NAD      H8A    C8A       single      1.083    0.020
 NAD      HN61   N6A       single      1.010    0.020
 NAD      HN62   N6A       single      1.010    0.020
 NAD      H2A    C2A       single      1.083    0.020
 NAD      H5D1   C5D       single      1.092    0.020
 NAD      H5D2   C5D       single      1.092    0.020
 NAD      H4D    C4D       single      1.099    0.020
 NAD      H3D    C3D       single      1.099    0.020
 NAD      HO3D   O3D       single      0.967    0.020
 NAD      H2D    C2D       single      1.099    0.020
 NAD      HO2D   O2D       single      0.967    0.020
 NAD      H1D    C1D       single      1.099    0.020
 NAD      H2N    C2N       single      1.083    0.020
 NAD      HN71   N7N       single      1.010    0.020
 NAD      HN72   N7N       single      1.010    0.020
 NAD      H4N    C4N       single      1.083    0.020
 NAD      H5N    C5N       single      1.083    0.020
 NAD      H6N    C6N       single      1.083    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 NAD      O7N    C7N    N7N     123.000    3.000
 NAD      O7N    C7N    C3N     120.500    3.000
 NAD      N7N    C7N    C3N     120.000    3.000
 NAD      C7N    N7N    HN72    120.000    3.000
 NAD      C7N    N7N    HN71    120.000    3.000
 NAD      HN72   N7N    HN71    120.000    3.000
 NAD      C7N    C3N    C2N     120.000    3.000
 NAD      C7N    C3N    C4N     120.000    3.000
 NAD      C2N    C3N    C4N     120.000    3.000
 NAD      C3N    C2N    H2N     120.000    3.000
 NAD      C3N    C2N    N1N     120.000    3.000
 NAD      H2N    C2N    N1N     120.000    3.000
 NAD      C3N    C4N    H4N     120.000    3.000
 NAD      C3N    C4N    C5N     120.000    3.000
 NAD      H4N    C4N    C5N     120.000    3.000
 NAD      C4N    C5N    H5N     120.000    3.000
 NAD      C4N    C5N    C6N     120.000    3.000
 NAD      H5N    C5N    C6N     120.000    3.000
 NAD      C5N    C6N    H6N     120.000    3.000
 NAD      C5N    C6N    N1N     120.000    3.000
 NAD      H6N    C6N    N1N     120.000    3.000
 NAD      C6N    N1N    C1D     120.000    3.000
 NAD      C6N    N1N    C2N     120.000    3.000
 NAD      C1D    N1N    C2N     120.000    3.000
 NAD      N1N    C1D    H1D     109.470    3.000
 NAD      N1N    C1D    O4D     109.470    3.000
 NAD      N1N    C1D    C2D     109.470    3.000
 NAD      H1D    C1D    O4D     109.470    3.000
 NAD      H1D    C1D    C2D     108.340    3.000
 NAD      O4D    C1D    C2D     109.470    3.000
 NAD      C1D    O4D    C4D     111.800    3.000
 NAD      C1D    C2D    H2D     108.340    3.000
 NAD      C1D    C2D    O2D     109.470    3.000
 NAD      C1D    C2D    C3D     111.000    3.000
 NAD      H2D    C2D    O2D     109.470    3.000
 NAD      H2D    C2D    C3D     108.340    3.000
 NAD      O2D    C2D    C3D     109.470    3.000
 NAD      C2D    O2D    HO2D    109.470    3.000
 NAD      C2D    C3D    H3D     108.340    3.000
 NAD      C2D    C3D    O3D     109.470    3.000
 NAD      C2D    C3D    C4D     111.000    3.000
 NAD      H3D    C3D    O3D     109.470    3.000
 NAD      H3D    C3D    C4D     108.340    3.000
 NAD      O3D    C3D    C4D     109.470    3.000
 NAD      C3D    O3D    HO3D    109.470    3.000
 NAD      C3D    C4D    H4D     108.340    3.000
 NAD      C3D    C4D    C5D     111.000    3.000
 NAD      C3D    C4D    O4D     109.470    3.000
 NAD      H4D    C4D    C5D     108.340    3.000
 NAD      H4D    C4D    O4D     109.470    3.000
 NAD      C5D    C4D    O4D     109.470    3.000
 NAD      C4D    C5D    H5D1    109.470    3.000
 NAD      C4D    C5D    H5D2    109.470    3.000
 NAD      C4D    C5D    O5D     109.470    3.000
 NAD      H5D1   C5D    H5D2    107.900    3.000
 NAD      H5D1   C5D    O5D     109.470    3.000
 NAD      H5D2   C5D    O5D     109.470    3.000
 NAD      C5D    O5D    PN      120.500    3.000
 NAD      O5D    PN     O1N     108.200    3.000
 NAD      O5D    PN     O2N     108.200    3.000
 NAD      O5D    PN     O3      102.600    3.000
 NAD      O1N    PN     O2N     119.900    3.000
 NAD      O1N    PN     O3      108.200    3.000
 NAD      O2N    PN     O3      108.200    3.000
 NAD      PN     O3     PA      120.500    3.000
 NAD      O3     PA     O1A     108.200    3.000
 NAD      O3     PA     O2A     108.200    3.000
 NAD      O3     PA     O5B     102.600    3.000
 NAD      O1A    PA     O2A     119.900    3.000
 NAD      O1A    PA     O5B     108.200    3.000
 NAD      O2A    PA     O5B     108.200    3.000
 NAD      PA     O5B    C5B     120.500    3.000
 NAD      O5B    C5B    H5B1    109.470    3.000
 NAD      O5B    C5B    H5B2    109.470    3.000
 NAD      O5B    C5B    C4B     109.470    3.000
 NAD      H5B1   C5B    H5B2    107.900    3.000
 NAD      H5B1   C5B    C4B     109.470    3.000
 NAD      H5B2   C5B    C4B     109.470    3.000
 NAD      C5B    C4B    H4B     108.340    3.000
 NAD      C5B    C4B    C3B     111.000    3.000
 NAD      C5B    C4B    O4B     109.470    3.000
 NAD      H4B    C4B    C3B     108.340    3.000
 NAD      H4B    C4B    O4B     109.470    3.000
 NAD      C3B    C4B    O4B     109.470    3.000
 NAD      C4B    C3B    H3B     108.340    3.000
 NAD      C4B    C3B    O3B     109.470    3.000
 NAD      C4B    C3B    C2B     111.000    3.000
 NAD      H3B    C3B    O3B     109.470    3.000
 NAD      H3B    C3B    C2B     108.340    3.000
 NAD      O3B    C3B    C2B     109.470    3.000
 NAD      C3B    O3B    HO3B    109.470    3.000
 NAD      C3B    C2B    H2B     108.340    3.000
 NAD      C3B    C2B    O2B     109.470    3.000
 NAD      C3B    C2B    C1B     111.000    3.000
 NAD      H2B    C2B    O2B     109.470    3.000
 NAD      H2B    C2B    C1B     108.340    3.000
 NAD      O2B    C2B    C1B     109.470    3.000
 NAD      C2B    O2B    HO2B    109.470    3.000
 NAD      C2B    C1B    H1B     108.340    3.000
 NAD      C2B    C1B    O4B     109.470    3.000
 NAD      C2B    C1B    N9A     109.470    3.000
 NAD      H1B    C1B    O4B     109.470    3.000
 NAD      H1B    C1B    N9A     109.470    3.000
 NAD      O4B    C1B    N9A     109.470    3.000
 NAD      C1B    O4B    C4B     111.800    3.000
 NAD      C1B    N9A    C4A     126.000    3.000
 NAD      C1B    N9A    C8A     126.000    3.000
 NAD      C4A    N9A    C8A     108.000    3.000
 NAD      N9A    C4A    C5A     108.000    3.000
 NAD      N9A    C4A    N3A     132.000    3.000
 NAD      C5A    C4A    N3A     120.000    3.000
 NAD      C4A    C5A    N7A     108.000    3.000
 NAD      C4A    C5A    C6A     120.000    3.000
 NAD      N7A    C5A    C6A     132.000    3.000
 NAD      C5A    N7A    C8A     108.000    3.000
 NAD      N7A    C8A    H8A     126.000    3.000
 NAD      N7A    C8A    N9A     108.000    3.000
 NAD      H8A    C8A    N9A     126.000    3.000
 NAD      C4A    N3A    C2A     120.000    3.000
 NAD      N3A    C2A    H2A     120.000    3.000
 NAD      N3A    C2A    N1A     120.000    3.000
 NAD      H2A    C2A    N1A     120.000    3.000
 NAD      C2A    N1A    C6A     120.000    3.000
 NAD      N1A    C6A    N6A     120.000    3.000
 NAD      N1A    C6A    C5A     120.000    3.000
 NAD      N6A    C6A    C5A     120.000    3.000
 NAD      C6A    N6A    HN62    120.000    3.000
 NAD      C6A    N6A    HN61    120.000    3.000
 NAD      HN62   N6A    HN61    120.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 NAD      CONST_1  O7N    C7N    N7N    HN71     180.000    0.000   0
 NAD      var_1    O7N    C7N    C3N    C4N      180.000   20.000   1
 NAD      CONST_2  C7N    C3N    C2N    N1N      180.000    0.000   0
 NAD      CONST_3  C7N    C3N    C4N    C5N      180.000    0.000   0
 NAD      CONST_4  C3N    C4N    C5N    C6N        0.000    0.000   0
 NAD      CONST_5  C4N    C5N    C6N    N1N        0.000    0.000   0
 NAD      CONST_6  C5N    C6N    N1N    C1D      180.000    0.000   0
 NAD      CONST_7  C6N    N1N    C2N    C3N        0.000    0.000   0
 NAD      var_2    C6N    N1N    C1D    C2D      -78.448   20.000   1
 NAD      var_3    N1N    C1D    O4D    C4D     -150.000   20.000   1
 NAD      var_4    N1N    C1D    C2D    C3D      150.000   20.000   3
 NAD      var_5    C1D    C2D    O2D    HO2D     175.000   20.000   1
 NAD      var_6    C1D    C2D    C3D    C4D        0.000   20.000   3
 NAD      var_7    C2D    C3D    O3D    HO3D     175.000   20.000   1
 NAD      var_8    C2D    C3D    C4D    C5D     -150.000   20.000   3
 NAD      var_9    C3D    C4D    O4D    C1D       30.000   20.000   1
 NAD      var_10   C3D    C4D    C5D    O5D     -178.083   20.000   3
 NAD      var_11   C4D    C5D    O5D    PN      -179.956   20.000   1
 NAD      var_12   C5D    O5D    PN     O3       175.038   20.000   1
 NAD      var_13   O5D    PN     O3     PA      -160.007   20.000   1
 NAD      var_14   PN     O3     PA     O5B     -160.028   20.000   1
 NAD      var_15   O3     PA     O5B    C5B      174.980   20.000   1
 NAD      var_16   PA     O5B    C5B    C4B      180.000   20.000   1
 NAD      var_17   O5B    C5B    C4B    C3B     -175.278   20.000   3
 NAD      var_18   C5B    C4B    O4B    C1B      150.000   20.000   1
 NAD      var_19   C5B    C4B    C3B    C2B     -120.000   20.000   3
 NAD      var_20   C4B    C3B    O3B    HO3B     175.000   20.000   1
 NAD      var_21   C4B    C3B    C2B    C1B      -30.000   20.000   3
 NAD      var_22   C3B    C2B    O2B    HO2B     175.000   20.000   1
 NAD      var_23   C3B    C2B    C1B    N9A      150.000   20.000   3
 NAD      var_24   C2B    C1B    O4B    C4B      -30.000   20.000   1
 NAD      var_25   C2B    C1B    N9A    C4A       89.132   20.000   1
 NAD      CONST_8  C1B    N9A    C8A    N7A      180.000    0.000   0
 NAD      CONST_9  C1B    N9A    C4A    N3A        0.000    0.000   0
 NAD      CONST_10 N9A    C4A    C5A    N7A        0.000    0.000   0
 NAD      CONST_11 C4A    C5A    C6A    N1A        0.000    0.000   0
 NAD      CONST_12 C4A    C5A    N7A    C8A        0.000    0.000   0
 NAD      CONST_13 C5A    N7A    C8A    N9A        0.000    0.000   0
 NAD      CONST_14 N9A    C4A    N3A    C2A      180.000    0.000   0
 NAD      CONST_15 C4A    N3A    C2A    N1A        0.000    0.000   0
 NAD      CONST_16 N3A    C2A    N1A    C6A        0.000    0.000   0
 NAD      CONST_17 C2A    N1A    C6A    N6A      180.000    0.000   0
 NAD      CONST_18 N1A    C6A    N6A    HN61     180.000    0.000   0
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 NAD      chir_01  C4B    C5B    O4B    C3B       negativ
 NAD      chir_02  C3B    C4B    O3B    C2B       negativ
 NAD      chir_03  C2B    C3B    O2B    C1B       negativ
 NAD      chir_04  C1B    O4B    C2B    N9A       positiv
 NAD      chir_05  C4D    C5D    O4D    C3D       negativ
 NAD      chir_06  C3D    C4D    O3D    C2D       negativ
 NAD      chir_07  C2D    C3D    O2D    C1D       negativ
 NAD      chir_08  C1D    O4D    C2D    N1N       positiv
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 NAD      plan-1    N9A       0.020
 NAD      plan-1    C1B       0.020
 NAD      plan-1    C8A       0.020
 NAD      plan-1    C4A       0.020
 NAD      plan-1    N7A       0.020
 NAD      plan-1    H8A       0.020
 NAD      plan-1    C5A       0.020
 NAD      plan-1    C6A       0.020
 NAD      plan-1    N1A       0.020
 NAD      plan-1    C2A       0.020
 NAD      plan-1    N3A       0.020
 NAD      plan-1    N6A       0.020
 NAD      plan-1    H2A       0.020
 NAD      plan-1    HN62      0.020
 NAD      plan-1    HN61      0.020
 NAD      plan-2    N6A       0.020
 NAD      plan-2    C6A       0.020
 NAD      plan-2    HN61      0.020
 NAD      plan-2    HN62      0.020
 NAD      plan-3    N1N       0.020
 NAD      plan-3    C1D       0.020
 NAD      plan-3    C2N       0.020
 NAD      plan-3    C6N       0.020
 NAD      plan-3    C3N       0.020
 NAD      plan-3    C4N       0.020
 NAD      plan-3    C5N       0.020
 NAD      plan-3    H2N       0.020
 NAD      plan-3    C7N       0.020
 NAD      plan-3    H4N       0.020
 NAD      plan-3    H5N       0.020
 NAD      plan-3    H6N       0.020
 NAD      plan-4    C7N       0.020
 NAD      plan-4    C3N       0.020
 NAD      plan-4    O7N       0.020
 NAD      plan-4    N7N       0.020
 NAD      plan-4    HN72      0.020
 NAD      plan-4    HN71      0.020
 NAD      plan-5    N7N       0.020
 NAD      plan-5    C7N       0.020
 NAD      plan-5    HN71      0.020
 NAD      plan-5    HN72      0.020
# ------------------------------------------------------
# ------------------------------------------------------
# ------------------------------------------------------

Attachment: nad_ebi.pdb
Description: application/aportisdoc

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