Program parameters :
 Bond tolerance (A)               : (   0.350) 
 Bond deviation tolerance (A)     : (   0.050) 
 Large range for bond lengths (A) : (   0.070) 
 Large range for bond angles (d)  : (   8.000) 
 Large range for dihedrals (d)    : (  15.000) 
 Large range for impropers (d)    : (   8.000) 
 Improper deviation tolerance (d) : (   8.000) 
 Flat improper cut-off (d)        : (  15.000) 
 Max distance to a flat plane (A) : (   0.050) 

 Reading PDB file ...
 > (COMPND ACM ACETAMIDE) 
 > (REMARK ACM Part of HIC-Up: http://xray.bmc.uu.se/hicup) 
 > (REMARK ACM Extracted from PDB file pdb2aii.ent) 
 > (REMARK ACM Formula C2 H5 N O) 
 Formula : (ACM  C2 H5 N O) 
 > (REMARK ACM Nr of non-hydrogen atoms   4) 
 > (REMARK ACM Eigen-values covariance X/Y/Z        3.0       2.4       
  0.0) 
 > (REMARK ACM Residue type ACM) 
 > (REMARK ACM Residue name   1421) 
 > (REMARK ACM Original residue name (for O) $X2001) 
 > (REMARK ACM  RESOLUTION. 1.54 ANGSTROMS.) 
 > (REMARK ACM occurs in       14 other PDB entries) 
 > (REMARK ACM Also in 1.5-2.0A  :  1ZDS 2IPU 2IJA 2B08 2P0W 1GRF 2IPT 
  2IQA) 
 > (REMARK ACM Resolution (A)    :  1.55 1.65 1.70 1.90 1.90 2.00 2.00 
  2.00) 
 > (REMARK ACM Also in 2.0-2.5A  :  2R3D 1PEA 2IQ9 2OZU 2RH1) 
 > (REMARK ACM Resolution (A)    :  2.09 2.10 2.30 2.30 2.40) 
 > (REMARK ACM Also in 2.5-3.0A  :  2BEO) 
 > (REMARK ACM Resolution (A)    :  2.70) 
 > (REMARK ACM) 
 Using residue : (ACM) 
 Identifier    : ( 1421) 
 Segment ID    : ( ) 
 Using formula : ( C2 H5 N O) 
 Element ? | C| Carbon               |            6           2
 Element ? | H| Hydrogen             |            1           5
 Element ? | N| Nitrogen             |            7           1
 Element ? | O| Oxygen               |            8           1

 Atom #    1 =  C1  @      0.058     0.000    -0.030  1.00 20.00
 Atom #    2 =  O   @      1.244     0.000    -0.284  1.00 20.00
 Atom #    3 =  N   @     -0.845     0.000    -1.030  1.00 20.00
 Atom #    4 =  C2  @     -0.404     0.000     1.403  1.00 20.00
 > (REMARK ACM ENDHET) 

 Nr of atoms read     : (          4) 
 Nr of extra examples : (          0) 


 Expected formula : ( C2 H5 N O) 
 Observed formula : (C2 N1 O1) 
 Element | H| Expected    5 | Observed    0
 Element | C| Expected    2 | Observed    2
 Element | N| Expected    1 | Observed    1
 Element | O| Expected    1 | Observed    1
 Expected and observed formulae agree (ignoring any hydrogens) !

 Looking for bonded atoms ...

 Bond  C1  -  O   =    1.213 A (cutoff :    1.710)
 Nr of entries in library : (          5) 
 Closest to   1.19 (devn.   0.02)
 For: C-O shortened double; range 1.17-1.207

 Bond  C1  -  N   =    1.347 A (cutoff :    1.710)
 Nr of entries in library : (          4) 
 Closest to   1.34 (devn.   0.01)
 For: C-N partial double; range 1.322-1.352

 Bond  C1  -  C2  =    1.506 A (cutoff :    1.710)
 Nr of entries in library : (          5) 
 Closest to   1.53 (devn.   0.02)
 For: C-C single; range 1.49-1.54

 Nr of bonds found : (          3) 

 Generating neighbour lists ...

 Trying to guess number of hydrogens ...
 Minimum C-C single bond (A) : (   1.480) 
 Minimum C-C double bond (A) : (   1.280) 
 Minimum C-N single bond (A) : (   1.400) 
 Minimum C-N double bond (A) : (   1.200) 
 Minimum C-O single bond (A) : (   1.300) 
 Minimum C-S single bond (A) : (   1.770) 
     Carbon  C1  Nbrs:  3 ~Hs: 0
     Oxygen  O   Nbrs:  1 ~Hs: 0
   Nitrogen  N   Nbrs:  1 ~Hs: 0
     Carbon  C2  Nbrs:  1 ~Hs: 3
 Est. total nr of hydrogens : (       3) 

 Looking for angles ...

     AtmJ    AtmI    AtmK     Angle
     ----    ----    ----     -----
      O       C1      N      119.99
      O       C1      C2     119.96
      N       C1      C2     120.05

 Looking for dihedrals (and planes) ...

     AtmK    AtmI    AtmJ    AtmL    Dihedral
     ----    ----    ----    ----     -------

 Looking for impropers (and planes) ...

     Atm*    Nbr1    Nbr2    Nbr3    Improper
     ----    ----    ----    ----    --------
      C1      O       N       C2         0.00

 Number of possible flat planes : (          1) 

 Looking for more planes ...

 Number of possible flat planes : (          1) 

 Expanding planes ...

 Removing non-unique planes ...

 Plane nr    : (          1) 
 Nr of atoms : (          4) 
 WARNING - Reset negative RMSD in LSQGJK : ( -9.162E-08) 
 RMSD to least-squares plane (A): (   0.000) 
 Atom   Dist (A)
  C1       0.000
  O        0.000
  N        0.000
  C2       0.000

            -------------------
            ----- SUMMARY -----
            -------------------

 Residue type                   : (ACM) 
 Identifier                     : ( 1421) 
 Segment ID                     : ( ) 

 Nr of atoms                    : (       4) 
 List of elements (from file)   : ( C2 H5 N O) 
 Deduced formula                : (C2 N1 O1) 
 Guestimated total nr of Hs     : (       3) 
 Nr of extra examples           : (       0) 

 Nr of distances < 0.8 A        : (       0) 
 Nr of bond angles < 80 degrees : (       0) 

 Nr of bonds found              : (       3) 
 ... bonds without ideal value  : (       0) 
 ... bonds near ideal value     : (       3) 
 ... bonds far from ideal value : (       0) 
          -"-                 % : (   0.000) 

 Nr of angles found             : (       3) 

 Nr of dihedrals found          : (       0) 

 Nr of atoms with impropers     : (       1) 
 ... imprs far from ideal value : (       0) 
          -"-                 % : (   0.000) 

 Nr of flat planes              : (       1)