File: Protein.ff14SB.parm7

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
links: PTS, VCS
area: main
in suites: forky, sid, trixie
size: 138,900 kB
sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (2155 lines) | stat: -rw-r--r-- 172,939 bytes
%VERSION  VERSION_STAMP = V0001.000  DATE = 04/06/16  15:12:35                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
GLY                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
     324      14     157     172     355     232     729     714       0       0
    1772      20     172     232     714      62     144     191      33       0
       0       0       0       0       0       0       0       0      24       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
N   H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  
HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 
CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB  CG2 HG21
HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 
HD1 CE1 HE1 CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 
HB3 CA  HA  C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  
CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 
CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 SG  HG  
C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   
H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   
O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12
NH2 HH21HH22C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 
C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 
HZ3 CE3 HE3 CD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   
CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 
CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 
HE21HE22C   O   
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -7.57501011E+00  4.95464337E+00 -4.59201960E-01  1.27191654E+00  1.27191654E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00  6.14091510E-01
  1.49969529E+00 -3.32556975E+00  1.09880469E+00  1.09880469E+00  1.09880469E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -1.59445125E+00
  1.76574087E+00  5.43935655E+00 -5.41202310E-01 -5.81655816E+00  1.44138393E+00
  1.44138393E+00  1.44138393E+00 -5.81655816E+00  1.44138393E+00  1.44138393E+00
  1.44138393E+00  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00
 -9.43915140E-01  1.68009606E+00 -2.00809746E+00  8.32759110E-01  8.32759110E-01
  6.43429413E+00 -6.57825030E-01 -7.50940983E+00  1.82223000E+00  1.82223000E+00
  1.82223000E+00 -7.50940983E+00  1.82223000E+00  1.82223000E+00  1.82223000E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -1.08787131E+00
  1.58351787E+00  2.37436569E+00  3.40757010E-01 -5.83842492E+00  1.60720686E+00
  1.60720686E+00  1.60720686E+00 -7.83558900E-01  4.30046280E-01  4.30046280E-01
 -1.20267180E+00  3.38934780E-01  3.38934780E-01  3.38934780E-01  1.08841798E+01
 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -4.37335200E-02  1.78214094E+00
 -6.25024890E-01  5.37557850E-01  5.37557850E-01  2.15023140E-01 -2.28872088E+00
  2.42356590E+00 -3.10507992E+00  2.60578890E+00 -1.95343056E+00  2.36343231E+00
 -3.10507992E+00  2.60578890E+00 -2.28872088E+00  2.42356590E+00  1.08841798E+01
 -1.03484442E+01 -4.64304204E+00  3.49868160E-01  7.12491930E-01  7.12491930E-01
  3.44401470E-01  3.88134990E-01  3.88134990E-01 -1.27556100E-01  4.61024190E-01
  4.61024190E-01 -4.84713180E-01  1.16804943E+00  1.07438681E+01 -1.04741780E+01
 -7.57501011E+00  4.95464337E+00 -4.53735270E-01  1.53613989E+00  3.85766091E+00
  6.41424960E-01  6.41424960E-01 -1.19283176E+01  7.79003325E+00  1.08841798E+01
 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -7.08847470E-01  1.83498561E+00
  6.65842842E+00  7.83558900E-02 -4.44259674E+00  1.16987166E+00  1.16987166E+00
  1.16987166E+00 -1.23200970E+01  7.47478746E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00 -2.55112200E-02  1.59627348E+00 -2.76978960E-01
  5.37557850E-01  5.37557850E-01 -2.00445300E-02 -3.47317038E+00  3.09596877E+00
 -4.26584043E+00  3.01761288E+00  5.87851398E+00 -1.01662212E+01  7.27434216E+00
 -4.26584043E+00  3.01761288E+00 -3.47317038E+00  3.09596877E+00  1.08841798E+01
 -1.03484442E+01 -7.57501011E+00  4.95464337E+00  3.88134990E-01  2.04818652E+00
 -2.24316513E+00  2.02631976E+00  2.02631976E+00 -5.68353537E+00  3.52237059E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -4.31868510E-01
  1.60356240E+00  6.23202660E-01  4.39157430E-01  4.39157430E-01  3.28001400E-02
  8.01781200E-01  8.01781200E-01 -4.98744351E+00 -9.76715280E-01  1.24640532E+00
  1.24640532E+00  1.24640532E+00  1.08841798E+01 -1.03484442E+01 -6.33953817E+00
  5.00566581E+00 -4.37335200E+00  2.59849998E+00 -1.71289620E-01  6.59647260E-01
  6.59647260E-01  3.40757010E-01  1.87689690E-01  1.87689690E-01 -8.72848170E-01
  1.13160483E+00  1.13160483E+00 -2.60578890E-01  2.06823105E+00  2.06823105E+00
 -7.02287442E+00  6.19558200E+00  6.19558200E+00  6.19558200E+00  1.33769904E+01
 -1.07402236E+01 -6.33953817E+00  5.00566581E+00 -4.80522051E+00  2.84267880E+00
 -1.27556100E-02  5.95869210E-01  5.95869210E-01  7.10669700E-01  5.19335550E-01
  5.19335550E-01  8.85603780E-01  1.25187201E+00  1.25187201E+00 -9.64870785E+00
  6.29762688E+00  1.47163295E+01 -1.57203782E+01  8.15994594E+00  8.15994594E+00
 -1.57203782E+01  8.15994594E+00  8.15994594E+00  1.33769904E+01 -1.07402236E+01
 -7.57501011E+00  4.95464337E+00 -1.05871563E+00  2.47823280E+00 -1.34845020E-01
  6.68758410E-01  6.68758410E-01  3.40392564E+00 -9.89835336E+00  2.97934605E+00
  2.61490005E+00 -5.09313285E+00  6.08442597E+00 -4.02166161E+00  3.39299226E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -5.01113250E-01
  2.04636429E+00 -9.11115000E-02  6.17735970E-01  6.17735970E-01 -2.57845545E+00
 -2.98481274E+00  3.75743826E+00 -6.22838214E+00  6.21744876E+00  2.51467740E+00
 -4.73962023E+00  2.86454556E+00 -2.06640882E+00  2.58209991E+00 -3.59343756E+00
  2.63676681E+00 -4.34966301E+00  3.09779100E+00  2.26503189E+00  1.08841798E+01
 -1.03484442E+01 -9.40817349E+00  5.35006728E+00  6.94269630E-01  1.60356240E+00
 -5.52135690E-01 -2.22312060E-01 -2.22312060E-01  1.45669066E+01 -1.46033512E+01
 -1.46033512E+01  9.77808618E+00 -1.06035564E+01 -9.40817349E+00  5.35006728E+00
  7.23425310E-01  2.01356415E+00  1.02044880E+00 -3.15245790E-01 -3.15245790E-01
  2.47823280E-01 -7.74447750E-01 -7.74447750E-01  1.46762404E+01 -1.49204192E+01
 -1.49204192E+01  9.77808618E+00 -1.06035564E+01 -7.57501011E+00  4.95464337E+00
  2.60578890E-01  1.90969704E+00 -3.71917143E+00  1.45231731E+00  1.45231731E+00
  1.29924999E+01 -1.08076461E+01 -1.67481159E+01  7.64607708E+00  7.64607708E+00
  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -5.64891300E-02
  1.54889550E+00 -6.56002800E-02  3.11601330E-01  3.11601330E-01 -1.17533835E+00
  6.41424960E-01  6.41424960E-01  1.26663207E+01 -1.10900918E+01 -1.71417176E+01
  7.74629973E+00  7.74629973E+00  1.08841798E+01 -1.03484442E+01
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       7       1       6       1       1       6       8       7       1       6
       1       6       1       1       1       6       8       7       1       6
       1       6       1       6       1       1       1       6       1       1
       1       6       8       7       1       6       1       6       1       1
       6       1       6       1       1       1       6       1       1       1
       6       8       7       1       6       1       6       1       6       1
       1       1       6       1       1       6       1       1       1       6
       8       7       1       6       1       6       1       1       6       6
       1       6       1       6       1       6       1       6       1       6
       8       7       6       1       1       6       1       1       6       1
       1       6       1       6       8       7       1       6       1       6
       1       1       8       1       6       8       7       1       6       1
       6       1       6       1       1       1       8       1       6       8
       7       1       6       1       6       1       1       6       6       1
       6       1       6       8       1       6       1       6       1       6
       8       7       1       6       1       6       1       1      16       1
       6       8       7       1       6       1       6       1       1       6
       1       1      16       6       1       1       1       6       8       7
       1       6       1       6       1       1       6       1       1       6
       1       1       6       1       1       7       1       1       1       6
       8       7       1       6       1       6       1       1       6       1
       1       6       1       1       7       1       6       7       1       1
       7       1       1       6       8       7       1       6       1       6
       1       1       6       7       6       1       7       1       6       1
       6       8       7       1       6       1       6       1       1       6
       6       1       7       1       6       6       1       6       1       6
       1       6       1       6       6       8       7       1       6       1
       6       1       1       6       8       8       6       8       7       1
       6       1       6       1       1       6       1       1       6       8
       8       6       8       7       1       6       1       6       1       1
       6       8       7       1       1       6       8       7       1       6
       1       6       1       1       6       1       1       6       8       7
       1       1       6       8
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.60000000E+01  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.00800000E+00  1.60000000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  3.20600000E+01  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  3.20600000E+01  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.40100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.40100000E+01
  1.00800000E+00  1.20100000E+01  1.40100000E+01  1.00800000E+00  1.00800000E+00
  1.40100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.40100000E+01  1.20100000E+01
  1.00800000E+00  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.20100000E+01  1.00800000E+00  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.20100000E+01
  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.60000000E+01  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
  1.60000000E+01  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01
  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       3       4       4       5       6       1       2       3
       4       3       7       7       7       5       6       1       2       3
       4       3       7       3       7       7       7       3       7       7
       7       5       6       1       2       3       4       3       7       7
       3       7       3       7       7       7       3       7       7       7
       5       6       1       2       3       4       3       7       3       7
       7       7       3       7       7       3       7       7       7       5
       6       1       2       3       4       3       7       7       5       5
       8       5       8       5       8       5       8       5       8       5
       6       1       3       4       4       3       7       7       3       7
       7       3       4       5       6       1       2       3       4       3
       4       4       9      10       5       6       1       2       3       4
       3       4       3       7       7       7       9      10       5       6
       1       2       3       4       3       7       7       5       5       8
       5       8       5       9      10       5       8       5       8       5
       6       1       2       3       4       3       4       4      11       2
       5       6       1       2       3       4       3       7       7       3
       4       4      11       3       4       4       4       5       6       1
       2       3       4       3       7       7       3       7       7       3
       7       7       3      12      12       1       2       2       2       5
       6       1       2       3       4       3       7       7       3       7
       7       3       4       4       1       2       5       1       2       2
       1       2       2       5       6       1       2       3       4       3
       7       7       5       1       5      13       1       2       5      14
       5       6       1       2       3       4       3       7       7       5
       5      14       1       2       5       5       8       5       8       5
       8       5       8       5       5       6       1       2       3       4
       3       7       7       5       6       6       5       6       1       2
       3       4       3       7       7       3       7       7       5       6
       6       5       6       1       2       3       4       3       7       7
       5       6       1       2       2       5       6       1       2       3
       4       3       7       7       3       7       7       5       6       1
       2       2       5       6
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       7       4       7       4       3       7       3      10       4      10
       7       6       3       2       1       7       3      10       4      16
       7      12       9       8       3       2       1       4       2       1
       1       7       3      10       4      13       7      15       6       5
      10       8       7       3       2       1       3       2       1       1
       7       3      10       4      16       7      15       9       8       3
       2       1       7       5       4       3       2       1       1       7
       3      10       4      12       7      12       5       4      10       8
       4       6       3       5       3       3       2       1       1      10
       3      14      11       6       5       8       5       4       7       4
       3       6       3       7       3      10       4      11       7       7
       4       3       2       1       7       3      10       4      14       7
      10       7       6       3       2       1       2       1       7       3
      10       4      12       7      12       5       4      10       8       4
       7       3       6       4       1       3       2       1       1       7
       3      10       4      11       7       7       4       3       2       1
       7       3      10       4      13       7      10       6       5       8
       3       2       4       3       2       1       1       7       3      10
       4      13       7      12       6       5      10       5       4       9
       5       4       6       5       4       3       2       1       1       7
       3      10       4      13       7      12       6       5       9       5
       4       7       4       3       8       3       6       5       2       1
       2       1       1       7       3      10       4      12       7      11
       5       4       8       6       5       3       3       2       1       1
       7       3      10       4      12       7      12       5       4      11
       7       4       7       3       8       7       4       6       3       4
       3       2       1       1       7       3      10       4      12       7
       8       5       4       3       1       1       7       3      10       4
      13       7      11       6       5       6       4       3       2       1
       1       7       3      10       4      12       7      10       5       4
       5       3       2       1       1       7       3       9       4      10
       6      10       6       5       8       4       3       4       3       2
       1       1       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22      29      37      46
      56      67      79      92       2       3       5       8      12      17
      23      30      38      47      57      68      80      93       4       5
       6       9      13      18      24      31      39      48      58      69
      81      94       7       8       9      10      14      19      25      32
      40      49      59      70      82      95      11      12      13      14
      15      20      26      33      41      50      60      71      83      96
      16      17      18      19      20      21      27      34      42      51
      61      72      84      97      22      23      24      25      26      27
      28      35      43      52      62      73      85      98      29      30
      31      32      33      34      35      36      44      53      63      74
      86      99      37      38      39      40      41      42      43      44
      45      54      64      75      87     100      46      47      48      49
      50      51      52      53      54      55      65      76      88     101
      56      57      58      59      60      61      62      63      64      65
      66      77      89     102      67      68      69      70      71      72
      73      74      75      76      77      78      90     103      79      80
      81      82      83      84      85      86      87      88      89      90
      91     104      92      93      94      95      96      97      98      99
     100     101     102     103     104     105
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
GLY ALA VAL LEU ILE PHE PRO SER THR TYR CYS MET LYS ARG HIE TRP ASP GLU ASN GLN 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1       8      18      34      53      72      92     106     117     131
     152     163     180     202     226     243     267     279     294     308
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.70000000E+02  4.90000000E+02  3.40000000E+02  3.17000000E+02  4.34000000E+02
  3.37000000E+02  3.40000000E+02  3.10000000E+02  3.40000000E+02  3.10000000E+02
  3.10000000E+02  3.40000000E+02  3.10000000E+02  3.10000000E+02  3.10000000E+02
  3.67000000E+02  4.69000000E+02  3.17000000E+02  3.10000000E+02  3.40000000E+02
  3.37000000E+02  5.53000000E+02  3.40000000E+02  3.20000000E+02  3.40000000E+02
  3.20000000E+02  4.50000000E+02  4.69000000E+02  2.74000000E+02  2.37000000E+02
  2.27000000E+02  2.27000000E+02  3.10000000E+02  4.34000000E+02  3.40000000E+02
  3.67000000E+02  3.40000000E+02  3.10000000E+02  3.10000000E+02  4.34000000E+02
  4.81000000E+02  3.40000000E+02  3.37000000E+02  3.67000000E+02  4.34000000E+02
  4.27000000E+02  3.67000000E+02  4.77000000E+02  4.88000000E+02  4.10000000E+02
  5.18000000E+02  3.17000000E+02  4.69000000E+02  4.69000000E+02  4.47000000E+02
  4.28000000E+02  5.46000000E+02  3.88000000E+02  3.17000000E+02  6.56000000E+02
  3.17000000E+02  3.17000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.22900000E+00  1.33500000E+00  1.09000000E+00  1.52200000E+00  1.01000000E+00
  1.44900000E+00  1.09000000E+00  1.52600000E+00  1.09000000E+00  1.52600000E+00
  1.52600000E+00  1.09000000E+00  1.52600000E+00  1.52600000E+00  1.52600000E+00
  1.08000000E+00  1.40000000E+00  1.51000000E+00  1.52600000E+00  1.09000000E+00
  1.44900000E+00  9.60000000E-01  1.09000000E+00  1.41000000E+00  1.09000000E+00
  1.41000000E+00  1.36400000E+00  1.40900000E+00  1.33600000E+00  1.81000000E+00
  1.81000000E+00  1.81000000E+00  1.52600000E+00  1.01000000E+00  1.09000000E+00
  1.47100000E+00  1.09000000E+00  1.52600000E+00  1.52600000E+00  1.01000000E+00
  1.34000000E+00  1.09000000E+00  1.46300000E+00  1.08000000E+00  1.01000000E+00
  1.38100000E+00  1.08000000E+00  1.34300000E+00  1.33500000E+00  1.39400000E+00
  1.37100000E+00  1.50400000E+00  1.40400000E+00  1.40000000E+00  1.41900000E+00
  1.38000000E+00  1.35200000E+00  1.45900000E+00  1.49500000E+00  1.25000000E+00
  1.52200000E+00  1.52200000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  8.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01
  8.00000000E+01  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01
  3.50000000E+01  6.30000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01
  4.00000000E+01  5.00000000E+01  6.30000000E+01  5.00000000E+01  5.00000000E+01
  5.00000000E+01  4.00000000E+01  8.00000000E+01  5.00000000E+01  3.50000000E+01
  6.30000000E+01  5.00000000E+01  4.00000000E+01  5.00000000E+01  5.00000000E+01
  4.00000000E+01  8.00000000E+01  5.00000000E+01  5.00000000E+01  4.00000000E+01
  4.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01  5.00000000E+01
  7.00000000E+01  6.30000000E+01  5.00000000E+01  4.00000000E+01  5.00000000E+01
  3.50000000E+01  5.00000000E+01  4.00000000E+01  5.00000000E+01  8.00000000E+01
  5.00000000E+01  3.50000000E+01  5.50000000E+01  5.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.50000000E+01  5.00000000E+01
  5.00000000E+01  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01
  6.30000000E+01  5.00000000E+01  4.30000000E+01  5.00000000E+01  5.00000000E+01
  5.00000000E+01  6.20000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
  4.00000000E+01  3.50000000E+01  5.00000000E+01  3.50000000E+01  5.00000000E+01
  5.00000000E+01  3.50000000E+01  5.00000000E+01  8.00000000E+01  4.00000000E+01
  6.30000000E+01  5.00000000E+01  5.00000000E+01  4.00000000E+01  8.00000000E+01
  3.50000000E+01  7.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
  5.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01  5.00000000E+01
  5.00000000E+01  7.00000000E+01  7.00000000E+01  6.30000000E+01  5.00000000E+01
  6.30000000E+01  6.30000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01
  5.00000000E+01  7.00000000E+01  7.00000000E+01  6.30000000E+01  7.00000000E+01
  5.00000000E+01  7.00000000E+01  6.30000000E+01  6.30000000E+01  5.00000000E+01
  7.00000000E+01  7.00000000E+01  6.30000000E+01  8.00000000E+01  5.00000000E+01
  7.00000000E+01  6.30000000E+01  6.30000000E+01  3.50000000E+01  5.00000000E+01
  8.00000000E+01  7.00000000E+01  6.30000000E+01  6.30000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.14501057E+00  2.09439600E+00  2.12755727E+00  1.91113635E+00  1.91113635E+00
  2.10137732E+00  2.03505478E+00  2.06018753E+00  1.91113635E+00  1.92160833E+00
  1.91113635E+00  1.93906163E+00  1.91113635E+00  1.91113635E+00  1.91462701E+00
  1.91113635E+00  1.91113635E+00  1.93906163E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  1.91462701E+00  1.91113635E+00  1.91113635E+00
  1.93906163E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.91462701E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  2.12755727E+00  2.09439600E+00  2.09439600E+00  1.91113635E+00
  2.09439600E+00  1.98967620E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  2.05948940E+00  1.91113635E+00  1.91113635E+00  1.91462701E+00
  1.91113635E+00  1.91113635E+00  1.89368305E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.89368305E+00  1.91113635E+00
  1.91113635E+00  2.09439600E+00  1.97222290E+00  2.09439600E+00  2.09439600E+00
  2.09439600E+00  1.91113635E+00  1.67551680E+00  1.89542838E+00  1.91113635E+00
  1.91113635E+00  1.72613137E+00  1.91113635E+00  1.91113635E+00  2.00189351E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.94080696E+00  1.91113635E+00
  1.93906163E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91462701E+00
  2.09439600E+00  2.09439600E+00  2.09439600E+00  1.91113635E+00  1.91113635E+00
  2.06647072E+00  2.15024656E+00  1.91113635E+00  1.94080696E+00  2.09439600E+00
  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
  2.09439600E+00  2.09439600E+00  2.04203610E+00  2.09439600E+00  2.09439600E+00
  1.91113635E+00  2.09439600E+00  2.09439600E+00  1.97396823E+00  2.09439600E+00
  2.09439600E+00  2.14151991E+00  2.09439600E+00  2.09439600E+00  2.02807346E+00
  2.14850123E+00  2.31779824E+00  1.82212452E+00  1.85703112E+00  1.94778828E+00
  2.09439600E+00  1.89717371E+00  1.89891904E+00  2.35445017E+00  1.91113635E+00
  2.18166250E+00  2.24449438E+00  2.01760148E+00  2.19911580E+00  1.91113635E+00
  2.04203610E+00  1.93906163E+00  1.93906163E+00  2.09439600E+00  1.91113635E+00
  2.10137732E+00  2.03505478E+00  1.93906163E+00  1.93906163E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.50000000E+00  0.00000000E+00  1.80000000E+00  8.00000000E-01
  0.00000000E+00  0.00000000E+00  2.70000000E-01  4.20000000E-01  8.00000000E-01
  8.00000000E-02  4.50000000E-01  1.58000000E+00  5.50000000E-01  1.55555556E-01
  2.00000000E-01  2.00000000E-01  4.00000000E-01  4.06000000E-01  2.89000000E-01
  1.48000000E-01  1.12000000E-01  1.60000000E-01  1.50000000E-01  3.37000000E-01
  2.16000000E-01  1.00000000E-03  7.06000000E-01  6.20000000E-01  1.44000000E-01
  1.90000000E-01  3.79000000E-01  2.70000000E-02  1.42000000E-01  1.79000000E-01
  9.80000000E-02  2.59000000E-01  7.30000000E-02  1.62000000E-01  7.35000000E-01
  1.13000000E-01  1.15000000E-01  2.02000000E-01  7.70000000E-02  1.07000000E-01
  2.24000000E-01  4.47000000E-01  5.30000000E-02  2.30000000E-01  3.10000000E-01
  1.44000000E-01  9.70000000E-02  2.00000000E+00  3.62500000E+00  5.50000000E-02
  4.69000000E-01  1.92000000E-01  1.20000000E-02  6.90000000E-02  0.00000000E+00
  4.80000000E-02  1.20000000E-02  2.90000000E-01  7.00000000E-03  2.00000000E-01
  2.50000000E-01  1.80000000E-01  6.61000000E-01  2.18000000E-01  4.01000000E-01
  1.29000000E-01  1.66666667E-01  2.50000000E-01  2.11000000E-01  4.44000000E-01
  2.67000000E-01  7.00000000E-03  6.66000000E-01  2.46000000E-01  1.60000000E-01
  6.97000000E-01  1.19000000E-01  3.15000000E-01  1.56000000E-01  6.43000000E-01
  7.90000000E-02  2.36000000E-01  4.80000000E-02  6.00000000E-03  2.51000000E-01
  1.30000000E-02  6.74000000E-01  6.00000000E-03  9.50000000E-02  8.83000000E-01
  6.50000000E-02  2.69000000E-01  3.37000000E-01  2.51000000E-01  7.50000000E-02
  2.50000000E-01  9.20000000E-02  6.12000000E-01  2.52000000E-01  3.00000000E-02
  1.54000000E-01  4.86000000E-01  3.30000000E-02  3.33333333E-01  4.21000000E-01
  3.93000000E-01  1.45000000E-01  2.47000000E-01  4.42000000E-01  4.14000000E-01
  5.70000000E-02  4.17000000E-01  2.45000000E-01  1.60000000E-02  2.80000000E-02
  1.00000000E-01  1.84000000E-01  7.80000000E-02  2.40000000E+00  1.50000000E+00
  2.32500000E+00  5.37500000E+00  1.43000000E-01  2.44000000E-01  2.19000000E-01
  2.50000000E-02  5.00000000E+00  6.90000000E-01  2.04000000E-01  7.40000000E-01
  4.70000000E-02  3.06000000E-01  2.21000000E-01  8.90000000E-02  3.00000000E+00
  3.50000000E+00  1.52500000E+00  6.52500000E+00  1.67500000E+00  1.70000000E-02
  3.53000000E-01  2.34000000E-01  7.40000000E-02  3.65000000E-01  4.08000000E-01
  8.19000000E-01  9.50000000E-02  7.90000000E-02  3.13000000E-01  3.10000000E-02
  4.24000000E-01  4.59000000E-01  5.80000000E-02  1.54000000E-01  7.69000000E-01
  3.10000000E-02  2.15400000E+00  6.47000000E-01  3.90000000E-01  6.40000000E-02
  1.36700000E+00  2.22000000E-01  6.08000000E-01  5.60000000E-02  1.04600000E+00
  3.03000000E-01  3.30000000E-02  1.07000000E-01  8.28000000E-01  4.85000000E-01
  3.01000000E-01  8.00000000E-03  6.88000000E-01  2.97000000E-01  5.90000000E-02
  6.09000000E-01  8.45000000E-01  8.50000000E-02  4.20000000E-02  1.96000000E-01
  8.30000000E-02  4.12000000E-01  1.38000000E-01  1.05000000E+01  1.10000000E+00
  1.00000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00
  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00
  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00  2.00000000E+00
  3.00000000E+00  4.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00
  1.00000000E+00  2.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00
  3.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  4.00000000E+00  1.00000000E+00
  2.00000000E+00  4.00000000E+00  2.00000000E+00  2.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  4.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  4.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  3.00000000E+00  1.00000000E+00  1.00000000E+00  2.00000000E+00
  3.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00  4.00000000E+00
  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  4.00000000E+00  2.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00
  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00
  1.00000000E+00  2.00000000E+00  4.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00
  1.00000000E+00  2.00000000E+00  4.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  2.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  4.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00
  3.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00  4.00000000E+00
  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00  2.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  2.00000000E+00  4.00000000E+00
  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00
  3.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00  4.00000000E+00
  1.00000000E+00  2.00000000E+00  3.00000000E+00  4.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  4.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  0.00000000E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
  0.00000000E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00
%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00
%FLAG SCNB_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  9.44293233E+05  2.12601181E+03  1.39982777E-01  9.95480466E+05  2.56678134E+03
  1.04308023E+06  6.20665997E+04  5.94667300E+01  6.78771368E+04  3.25969625E+03
  8.82619071E+05  2.27577561E+03  9.24822270E+05  6.01816484E+04  8.19971662E+05
  6.06829342E+05  1.02595236E+03  6.47841731E+05  3.69471530E+04  5.74393458E+05
  3.79876399E+05  8.96776989E+04  1.07193646E+02  9.71708117E+04  4.98586848E+03
  8.61541883E+04  5.44261042E+04  7.51607703E+03  7.91627154E+04  8.90987508E+01
  8.59947003E+04  4.33325458E+03  7.62451550E+04  4.77908183E+04  6.55825601E+03
  5.71629601E+03  7.44975864E+05  1.40467023E+03  7.91544157E+05  4.66922514E+04
  7.01803794E+05  4.71003287E+05  6.82786631E+04  6.00750218E+04  5.81803229E+05
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.01562190E+06  5.97860700E+03  2.09861767E+06  1.42791446E+05  1.86068943E+06
  1.32911052E+06  2.02461849E+05  1.79647996E+05  1.61587928E+06  0.00000000E+00
  4.19430400E+06  2.01791425E+04  9.14716912E+00  2.27401052E+04  8.79040886E+02
  2.01619733E+04  1.12780457E+04  1.41077189E+03  1.21014911E+03  1.45985502E+04
  0.00000000E+00  4.93469320E+04  2.01823541E+02  5.46147253E+04  4.90239937E+01
  5.98885646E+04  2.82099197E+03  5.30987710E+04  3.23283631E+04  4.33325458E+03
  3.76169105E+03  4.09427581E+04  0.00000000E+00  1.26338489E+05  7.50063100E+02
  2.43828624E+03  6.58473870E+04  6.63368273E+01  7.18621074E+04  3.50301067E+03
  6.37148278E+04  3.93690817E+04  5.34045360E+03  4.64559155E+03  4.96707306E+04
  0.00000000E+00  1.50848032E+05  9.55000044E+02  3.03448006E+03  3.76169105E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  8.01323529E+02  2.09604198E+01  9.37598976E-02  7.36907417E+02  2.06278363E+01
  6.75612247E+02  1.13252061E+02  1.93248820E+00  1.06076943E+02  1.43076527E+01
  6.53361429E+02  1.82891803E+01  5.99015525E+02  9.40505980E+01  5.31102864E+02
  6.77220874E+02  1.53505284E+01  6.26720080E+02  9.21192136E+01  5.55666448E+02
  5.64885984E+02  1.36131731E+02  2.59456373E+00  1.26919150E+02  1.76949863E+01
  1.12529845E+02  1.11805549E+02  2.17257828E+01  1.26451907E+02  2.33864085E+00
  1.18043746E+02  1.63092814E+01  1.04660679E+02  1.03580945E+02  2.00642027E+01
  1.85196588E+01  7.50714425E+02  1.79702257E+01  6.93079947E+02  1.03606917E+02
  6.14502845E+02  6.29300710E+02  1.25287818E+02  1.16187983E+02  6.99746810E+02
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  1.28923404E+03  3.87070358E+01  1.17824605E+03  1.89165096E+02  1.04466382E+03
  1.10369829E+03  2.25248294E+02  2.09772716E+02  1.21753341E+03  0.00000000E+00
  2.04800000E+03  6.45756063E+01  7.57919667E-01  6.13981767E+01  7.42992380E+00
  5.44372326E+01  5.08951803E+01  9.41257003E+00  8.61880722E+00  5.79323581E+01
  0.00000000E+00  1.11203892E+02  3.56012899E+00  1.05031585E+02  1.73473071E+00
  9.85097219E+01  1.31591746E+01  8.73413012E+01  8.51921330E+01  1.63092814E+01
  1.50233639E+01  9.59185913E+01  0.00000000E+00  1.75916126E+02  6.78541827E+00
  1.20953369E+01  1.15327881E+02  2.01792524E+00  1.07908863E+02  1.46638650E+01
  9.56748258E+01  9.40124296E+01  1.81057616E+01  1.66953734E+01  1.05648788E+02
  0.00000000E+00  1.92224012E+02  7.65648470E+00  1.34932874E+01  1.50233639E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       6       9       3       6      12       3       0       3       5      33
      36       7      33      39       7      33      42       7      27      30
       3      21      24       5      81      84       7      81      87       7
      81      90       7      69      72       7      69      75       7      69
      78       7      63      66       9      57      60       3      51      54
       5     138     141       7     138     144       7     138     147       7
     126     129       7     126     132       7     126     135       7     120
     123       9     111     114      12     111     117      12     105     108
       3      99     102       5     195     198       7     195     201       7
     195     204       7     186     189      12     186     192      12     174
     177       7     174     180       7     174     183       7     168     171
       9     162     165       3     156     159       5     261     264      16
     255     258      16     249     252      16     243     246      16     237
     240      16     225     228       7     225     231       7     219     222
       3     213     216       5     303     306       3     294     297       7
     294     300       7     285     288       7     285     291       7     276
     279      20     276     282      20     336     339      22     327     330
      23     327     333      23     321     324       3     315     318       5
     378     381      22     366     369       7     366     372       7     366
     375       7     360     363      25     354     357       3     348     351
       5     441     444      16     435     438      16     429     432      22
     420     423      16     414     417      16     402     405       7     402
     408       7     396     399       3     390     393       5     474     477
      29     465     468      23     465     471      23     459     462       3
     453     456       5     519     522      20     519     525      20     519
     528      20     507     510      23     507     513      23     498     501
      12     498     504      12     492     495       3     486     489       5
     585     588      34     585     591      34     585     594      34     576
     579      35     576     582      35     567     570      37     567     573
      37     558     561      37     558     564      37     549     552      37
     549     555      37     543     546       3     537     540       5     660
     663      40     660     666      40     651     654      40     651     657
      40     642     645      40     633     636      42     633     639      42
     624     627      37     624     630      37     615     618      37     615
     621      37     609     612       3     603     606       5     714     717
      44     708     711      45     702     705      47     687     690       7
     687     693       7     681     684       3     675     678       5     783
     786      16     777     780      16     771     774      16     765     768
      16     756     759      45     750     753      44     738     741       7
     738     744       7     732     735       3     726     729       5     810
     813      12     810     816      12     804     807       3     798     801
       5     855     858      12     855     861      12     846     849      12
     846     852      12     840     843       3     834     837       5     906
     909       5     906     912       5     891     894      12     891     897
      12     885     888       3     879     882       5     957     960       5
     957     963       5     942     945      12     942     948      12     933
     936      12     933     939      12     927     930       3     921     924
       5
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      15      18       1      15      21       2       6      15       4       0
       6       6      45      48       1      45      51       2      27      33
       8      27      45       4      21      27       6      93      96       1
      93      99       2      63      69      10      63      81      10      57
      63      11      57      93       4      51      57       6     150     153
       1     150     156       2     120     126      10     120     138      10
     111     120      13     105     111      14     105     150       4      99
     105       6     207     210       1     207     213       2     186     195
      15     168     174      10     168     186      13     162     168      11
     162     207       4     156     162       6     267     270       1     267
     273       2     255     261      17     249     255      17     243     249
      17     237     243      17     234     237      17     234     261      17
     225     234      18     219     225       8     219     267       4     213
     219       6     309     312       1     309     315       2     303     309
       4     294     303       8     285     294      19     276     285      19
     273     276      21     273     303       6     342     345       1     342
     348       2     327     336      24     321     327      14     321     342
       4     315     321       6     384     387       1     384     390       2
     360     366      10     360     378      26     354     360      11     354
     384       4     348     354       6     447     450       1     447     453
       2     435     441      17     426     429      27     426     435      28
     420     426      28     414     420      17     411     414      17     411
     441      17     402     411      18     396     402       8     396     447
       4     390     396       6     480     483       1     480     486       2
     465     474      30     459     465      14     459     480       4     453
     459       6     531     534       1     531     537       2     516     519
      31     507     516      32     498     507      33     492     498      14
     492     531       4     486     492       6     597     600       1     597
     603       2     576     585      36     567     576      38     558     567
      38     549     558      38     543     549      39     543     597       4
     537     543       6     669     672       1     669     675       2     648
     651      41     648     660      41     642     648      41     633     642
      43     624     633      38     615     624      38     609     615      39
     609     669       4     603     609       6     720     723       1     720
     726       2     708     714      46     702     708      48     699     702
      49     696     699      50     696     714      51     687     696      52
     681     687       8     681     720       4     675     681       6     792
     795       1     792     798       2     783     789      53     777     783
      17     771     777      17     765     771      17     762     765      54
     762     789      55     756     762      56     750     756      46     747
     750      57     747     789      58     738     747      59     732     738
       8     732     792       4     726     732       6     828     831       1
     828     834       2     819     822      60     819     825      60     810
     819      61     804     810      14     804     828       4     798     804
       6     873     876       1     873     879       2     864     867      60
     864     870      60     855     864      61     846     855      33     840
     846      14     840     873       4     834     840       6     915     918
       1     915     921       2     900     903       1     900     906       2
     891     900      62     885     891      14     885     915       4     879
     885       6     966     969       1     951     954       1     951     957
       2     942     951      62     933     942      33     927     933      14
     927     966       4     921     927       6
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      15      21      24       2      12       6      15       4       9       6
      12       5       9       6      15       4       3       0       6       8
       0       6       9       9       0       6      12       9      45      51
      54       2      39      33      42      11      36      33      39      11
      36      33      42      11      30      27      33      13      30      27
      45       4      27      33      36      14      27      33      39      14
      27      33      42      14      24      21      27       8      21      27
      30       9      93      99     102       2      87      81      90      11
      84      81      87      11      84      81      90      11      75      69
      78      11      72      69      75      11      72      69      78      11
      66      63      69      17      66      63      81      17      63      69
      72      19      63      69      75      19      63      69      78      19
      63      81      84      19      63      81      87      19      63      81
      90      19      60      57      63      20      60      57      93       4
      57      63      66      21      54      51      57       8      51      57
      60       9     150     156     159       2     144     138     147      11
     141     138     144      11     141     138     147      11     132     126
     135      11     129     126     132      11     129     126     135      11
     123     120     126      17     123     120     138      17     120     126
     129      19     120     126     132      19     120     126     135      19
     120     138     141      19     120     138     144      19     120     138
     147      19     117     111     120      24     114     111     117      25
     114     111     120      24     111     120     123      27     108     105
     111      29     108     105     150       4     105     111     114      30
     105     111     117      30     102      99     105       8      99     105
     108       9     207     213     216       2     201     195     204      11
     198     195     201      11     198     195     204      11     192     186
     195      33     189     186     192      25     189     186     195      33
     186     195     198      34     186     195     201      34     186     195
     204      34     180     174     183      11     177     174     180      11
     177     174     183      11     171     168     174      17     171     168
     186      27     168     174     177      19     168     174     180      19
     168     174     183      19     168     186     189      24     168     186
     192      24     165     162     168      20     165     162     207       4
     162     168     171      21     159     156     162       8     156     162
     165       9     258     255     261      38     255     261     264      38
     252     249     255      38     249     255     258      38     246     243
     249      38     243     249     252      38     240     237     243      38
     237     243     246      38     234     237     240      38     234     261
     264      38     231     225     234      40     228     225     231      11
     228     225     234      40     222     219     225      13     222     219
     267       4     219     225     228      14     219     225     231      14
     216     213     219       8     213     219     222       9     309     315
     318       2     306     303     309       4     300     294     303      14
     297     294     300      11     297     294     303      14     294     303
     306      13     291     285     294      43     288     285     291      11
     288     285     294      43     285     294     297      43     285     294
     300      43     282     276     285      45     279     276     282      46
     279     276     285      45     276     285     288      43     276     285
     291      43     273     276     279      49     273     276     282      49
     273     303     306       9     342     348     351       2     333     327
     336      51     330     327     333      52     330     327     336      51
     327     336     339      53     324     321     327      29     324     321
     342       4     321     327     330      54     321     327     333      54
     318     315     321       8     315     321     324       9     384     390
     393       2     372     366     375      11     369     366     372      11
     369     366     375      11     363     360     366      57     363     360
     378      58     360     366     369      19     360     366     372      19
     360     366     375      19     360     378     381      59     357     354
     360      20     357     354     384       4     354     360     363      60
     351     348     354       8     348     354     357       9     447     453
     456       2     438     435     441      38     435     441     444      38
     426     429     432      63     426     435     438      64     423     420
     426      64     417     414     420      38     414     420     423      38
     411     414     417      38     411     441     444      38     408     402
     411      40     405     402     408      11     405     402     411      40
     399     396     402      13     399     396     447       4     396     402
     405      14     396     402     408      14     393     390     396       8
     390     396     399       9     480     486     489       2     471     465
     474      67     468     465     471      52     468     465     474      67
     465     474     477      68     462     459     465      29     462     459
     480       4     459     465     468      54     459     465     471      54
     456     453     459       8     453     459     462       9     531     537
     540       2     525     519     528      46     522     519     525      46
     522     519     528      46     516     519     522      70     516     519
     525      70     516     519     528      70     513     507     516      71
     510     507     513      52     510     507     516      71     504     498
     507      73     501     498     504      25     501     498     507      73
     498     507     510      74     498     507     513      74     495     492
     498      29     495     492     531       4     492     498     501      30
     492     498     504      30     489     486     492       8     486     492
     495       9     597     603     606       2     591     585     594      77
     588     585     591      77     588     585     594      77     582     576
     585      78     579     576     582      79     579     576     585      78
     576     585     588      80     576     585     591      80     576     585
     594      80     573     567     576      81     570     567     573      82
     570     567     576      81     567     576     579      83     567     576
     582      83     564     558     567      81     561     558     564      82
     561     558     567      81     558     567     570      81     558     567
     573      81     555     549     558      81     552     549     555      82
     552     549     558      81     549     558     561      81     549     558
     564      81     546     543     549      87     546     543     597       4
     543     549     552      88     543     549     555      88     540     537
     543       8     537     543     546       9     669     675     678       2
     663     660     666      91     654     651     657      91     648     651
     654      93     648     651     657      93     648     660     663      93
     648     660     666      93     645     642     648      93     639     633
     642      94     636     633     639      95     636     633     642      94
     633     642     645      96     630     624     633      81     627     624
     630      82     627     624     633      81     624     633     636      98
     624     633     639      98     621     615     624      81     618     615
     621      82     618     615     624      81     615     624     627      81
     615     624     630      81     612     609     615      87     612     609
     669       4     609     615     618      88     609     615     621      88
     606     603     609       8     603     609     612       9     720     726
     729       2     711     708     714     100     708     714     717     101
     705     702     708     102     702     708     711     103     699     702
     705     106     696     714     717     110     693     687     696     111
     690     687     693      11     690     687     696     111     684     681
     687      13     684     681     720       4     681     687     690      14
     681     687     693      14     678     675     681       8     675     681
     684       9     792     798     801       2     786     783     789     115
     780     777     783      38     777     783     786      38     774     771
     777      38     771     777     780      38     768     765     771      38
     765     771     774      38     762     765     768     118     759     756
     762     121     753     750     756     101     750     756     759     100
     747     750     753     126     744     738     747     130     741     738
     744      11     741     738     747     130     735     732     738      13
     735     732     792       4     732     738     741      14     732     738
     744      14     729     726     732       8     726     732     735       9
     828     834     837       2     816     810     819     135     813     810
     816      25     813     810     819     135     807     804     810      29
     807     804     828       4     804     810     813      30     804     810
     816      30     801     798     804       8     798     804     807       9
     873     879     882       2     861     855     864     135     858     855
     861      25     858     855     864     135     852     846     855      73
     849     846     852      25     849     846     855      73     846     855
     858      73     846     855     861      73     843     840     846      29
     843     840     873       4     840     846     849      30     840     846
     852      30     837     834     840       8     834     840     843       9
     915     921     924       2     909     906     912     139     900     906
     909       2     900     906     912       2     897     891     900     140
     894     891     897      25     894     891     900     140     888     885
     891      29     888     885     915       4     885     891     894      30
     885     891     897      30     882     879     885       8     879     885
     888       9     960     957     963     139     951     957     960       2
     951     957     963       2     948     942     951     140     945     942
     948      25     945     942     951     140     939     933     942      73
     936     933     939      25     936     933     942      73     933     942
     945      73     933     942     948      73     930     927     933      29
     930     927     966       4     927     933     936      30     927     933
     939      30     924     921     927       8     921     927     930       9
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      18      15      21       1      15      21      27       3       6      15
      18       6       6      15      21       7       0       6      15      10
      48      45      51       1      45      51      57       3      33      27
      45      12      27      45      48       6      27      45      51       7
      21      27      33      15      21      27      45      10      96      93
      99       1      93      99     105       3      69      63      81      16
      63      57      93      18      57      63      69      22      57      63
      81      22      57      93      96       6      57      93      99       7
      51      57      63      23      51      57      93      10     153     150
     156       1     150     156     162       3     126     120     138      16
     111     105     150      26     111     120     126      28     111     120
     138      28     105     111     120      31     105     150     153       6
     105     150     156       7      99     105     111      32      99     105
     150      10     210     207     213       1     207     213     219       3
     174     168     186      28     168     162     207      18     168     186
     195      35     162     168     174      22     162     168     186      36
     162     207     210       6     162     207     213       7     156     162
     168      23     156     162     207      10     270     267     273       1
     267     273     276      37     267     273     303       3     249     255
     261      39     243     249     255      39     237     234     261      39
     237     243     249      39     234     237     243      39     234     261
     255      39     225     219     267      12     225     234     237      41
     225     234     261      41     219     225     234      42     219     267
     270       6     219     267     273       7     213     219     225      15
     213     219     267      10     312     309     315       1     309     315
     321       3     303     309     312       6     303     309     315       7
     294     303     309      12     285     294     303      44     276     273
     303      47     276     285     294      48     273     276     285      50
     273     303     294      15     273     303     309      10     345     342
     348       1     342     348     354       3     327     321     342      26
     321     327     336      55     321     342     345       6     321     342
     348       7     315     321     327      32     315     321     342      10
     387     384     390       1     384     390     396       3     366     360
     378      56     360     354     384      18     354     360     366      22
     354     360     378      61     354     384     387       6     354     384
     390       7     348     354     360      23     348     354     384      10
     450     447     453       1     447     453     459       3     429     426
     435      62     426     435     441      65     420     426     429      62
     420     426     435      66     414     411     441      39     414     420
     426      65     411     414     420      39     411     441     435      39
     402     396     447      12     402     411     414      41     402     411
     441      41     396     402     411      42     396     447     450       6
     396     447     453       7     390     396     402      15     390     396
     447      10     483     480     486       1     480     486     492       3
     465     459     480      26     459     465     474      69     459     480
     483       6     459     480     486       7     453     459     465      32
     453     459     480      10     534     531     537       1     531     537
     543       3     507     516     519      72     498     492     531      26
     498     507     516      75     492     498     507      76     492     531
     534       6     492     531     537       7     486     492     498      32
     486     492     531      10     600     597     603       1     597     603
     609       3     567     576     585      84     558     567     576      85
     549     543     597      86     549     558     567      85     543     549
     558      89     543     597     600       6     543     597     603       7
     537     543     549      90     537     543     597      10     672     669
     675       1     669     675     681       3     651     648     660      92
     642     648     651      92     642     648     660      92     633     642
     648      97     624     633     642      99     615     609     669      86
     615     624     633      85     609     615     624      89     609     669
     672       6     609     669     675       7     603     609     615      90
     603     609     669      10     723     720     726       1     720     726
     732       3     702     708     714     104     699     696     714     105
     699     702     708     107     696     699     702     108     696     714
     708     109     687     681     720      12     687     696     699     112
     687     696     714     113     681     687     696     114     681     720
     723       6     681     720     726       7     675     681     687      15
     675     681     720      10     795     792     798       1     792     798
     804       3     777     783     789     116     771     777     783      39
     765     762     789     117     765     771     777      39     762     765
     771     119     762     789     783     120     756     762     765     122
     756     762     789     123     750     747     789     124     750     756
     762     125     747     750     756     127     747     789     762     128
     747     789     783     129     738     732     792      12     738     747
     750     131     738     747     789     132     732     738     747     133
     732     792     795       6     732     792     798       7     726     732
     738      15     726     732     792      10     831     828     834       1
     828     834     840       3     822     819     825     134     810     804
     828      26     810     819     822     136     810     819     825     136
     804     810     819     137     804     828     831       6     804     828
     834       7     798     804     810      32     798     804     828      10
     876     873     879       1     873     879     885       3     867     864
     870     134     855     864     867     136     855     864     870     136
     846     840     873      26     846     855     864     138     840     846
     855      76     840     873     876       6     840     873     879       7
     834     840     846      32     834     840     873      10     918     915
     921       1     915     921     927       3     903     900     906       1
     891     885     915      26     891     900     903     141     891     900
     906     142     885     891     900     143     885     915     918       6
     885     915     921       7     879     885     891      32     879     885
     915      10     954     951     957       1     942     951     954     141
     942     951     957     142     933     927     966      26     933     942
     951     144     927     933     942      76     927     966     969       6
     921     927     933      32     921     927     966      10
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      18      15      21      24       1      18      15     -21      24       2
      15      21      27      30       3      12       6      15      18      10
      12       6     -15      18       3      12       6     -15      18      11
      12       6      15      21       3       9       6      15      18      10
       9       6     -15      18       3       9       6     -15      18      11
       9       6      15      21       3       6      15      21      24       2
       3       0       6       9       3       3       0       6      12       3
       3       0       6      15       3      48      45      51      54       1
      48      45     -51      54       2      45      51      57      60       3
      42      33      27      45      15      39      33      27      45      15
      36      33      27      45      15      30      27      33      36      15
      30      27      33      39      15      30      27      33      42      15
      30      27      45      48      10      30      27     -45      48       3
      30      27     -45      48      11      30      27      45      51       3
      27      45      51      54       2      24      21      27      30       3
      24      21      27      33       3      24      21      27      45       3
      21      27      33      36      15      21      27      33      39      15
      21      27      33      42      15      96      93      99     102       1
      96      93     -99     102       2      93      99     105     108       3
      78      69      63      81      23      75      69      63      81      23
      72      69      63      81      23      69      63      81      84      23
      69      63      81      87      23      69      63      81      90      23
      66      63      57      93      15      66      63      69      72      24
      66      63      69      75      24      66      63      69      78      24
      66      63      81      84      24      66      63      81      87      24
      66      63      81      90      24      60      57      63      66      15
      60      57      63      69      15      60      57      63      81      15
      60      57      93      96      10      60      57     -93      96       3
      60      57     -93      96      11      60      57      93      99       3
      57      63      69      72      23      57      63      69      75      23
      57      63      69      78      23      57      63      81      84      23
      57      63      81      87      23      57      63      81      90      23
      57      93      99     102       2      54      51      57      60       3
      54      51      57      63       3      54      51      57      93       3
      51      57      63      66      15     153     150     156     159       1
     153     150    -156     159       2     150     156     162     165       3
     135     126     120     138      23     132     126     120     138      23
     129     126     120     138      23     126     120     138     141      23
     126     120     138     144      23     126     120     138     147      23
     123     120     126     129      24     123     120     126     132      24
     123     120     126     135      24     123     120     138     141      24
     123     120     138     144      24     123     120     138     147      24
     117     111     105     150      15     117     111     120     123      24
     117     111     120     126      23     117     111     120     138      23
     114     111     105     150      15     114     111     120     123      24
     114     111     120     126      23     114     111     120     138      23
     111     120     126     129      23     111     120     126     132      23
     111     120     126     135      23     111     120     138     141      23
     111     120     138     144      23     111     120     138     147      23
     108     105     111     114      15     108     105     111     117      15
     108     105     111     120      15     108     105     150     153      10
     108     105    -150     153       3     108     105    -150     153      11
     108     105     150     156       3     105     111     120     123      23
     105     150     156     159       2     102      99     105     108       3
     102      99     105     111       3     102      99     105     150       3
      99     105     111     114      15      99     105     111     117      15
     210     207     213     216       1     210     207    -213     216       2
     207     213     219     222       3     192     186     195     198      24
     192     186     195     201      24     192     186     195     204      24
     189     186     195     198      24     189     186     195     201      24
     189     186     195     204      24     183     174     168     186      23
     180     174     168     186      23     177     174     168     186      23
     174     168     186     189      23     174     168     186     192      23
     171     168     162     207      15     171     168     174     177      24
     171     168     174     180      24     171     168     174     183      24
     171     168     186     189      24     171     168     186     192      24
     171     168     186     195      23     168     186     195     198      23
     168     186     195     201      23     168     186     195     204      23
     165     162     168     171      15     165     162     168     174      15
     165     162     168     186      15     165     162     207     210      10
     165     162    -207     210       3     165     162    -207     210      11
     165     162     207     213       3     162     168     174     177      23
     162     168     174     180      23     162     168     174     183      23
     162     168     186     189      23     162     168     186     192      23
     162     207     213     216       2     159     156     162     165       3
     159     156     162     168       3     159     156     162     207       3
     156     162     168     171      15     267     273     276     279       3
     267     273     276     282       3     267     273     303     306       3
     258     255     261     264      54     252     249     255     258      54
     252     249     255     261      54     249     255     261     264      54
     246     243     249     252      54     246     243     249     255      54
     243     249     255     258      54     240     237     234     261      54
     240     237     243     246      54     240     237     243     249      54
     237     234     261     264      54     237     243     249     252      54
     234     237     243     246      54     234     261     255     258      54
     231     225     219     267      15     231     225     234     237       3
     231     225     234     261       3     228     225     219     267      15
     228     225     234     237       3     228     225     234     261       3
     225     234     237     240      54     225     234     261     264      54
     222     219     225     228      15     222     219     225     231      15
     222     219     225     234      15     222     219     267     270      10
     222     219    -267     270       3     222     219    -267     270      11
     222     219     267     273       3     216     213     219     222       3
     216     213     219     225       3     216     213     219     267       3
     213     219     225     228      15     213     219     225     231      15
     312     309     315     318       1     312     309    -315     318       2
     309     315     321     324       3     306     303     309     312      10
     306     303    -309     312       3     306     303    -309     312      11
     306     303     309     315       3     303     309     315     318       2
     300     294     303     306      15     300     294     303     309      15
     297     294     303     306      15     297     294     303     309      15
     291     285     294     297      24     291     285     294     300      24
     291     285     294     303      23     288     285     294     297      24
     288     285     294     300      24     288     285     294     303      23
     285     294     303     306      15     282     276     273     303       3
     282     276     285     288      15     282     276     285     291      15
     282     276     285     294      15     279     276     273     303       3
     279     276     285     288      15     279     276     285     291      15
     279     276     285     294      15     276     273     303     306       3
     276     285     294     297      23     276     285     294     300      23
     273     276     285     288      15     273     276     285     291      15
     273     303     294     297      15     273     303     294     300      15
     345     342     348     351       1     345     342    -348     351       2
     342     348     354     357       3     333     327     321     342      15
     333     327     336     339      72     330     327     321     342      15
     330     327     336     339      72     324     321     327     330      15
     324     321     327     333      15     324     321     327     336      73
     324     321    -327     336      60     324     321     342     345      10
     324     321    -342     345       3     324     321    -342     345      11
     324     321     342     348       3     321     327     336     339      74
     321     327    -336     339      75     321     327    -336     339      76
     321     327    -336     339      77     321     342     348     351       2
     318     315     321     324       3     318     315     321     327       3
     318     315     321     342       3     315     321     327     330      15
     315     321     327     333      15     387     384     390     393       1
     387     384    -390     393       2     384     390     396     399       3
     375     366     360     378      73     375     366    -360     378      60
     372     366     360     378      73     372     366    -360     378      60
     369     366     360     378      73     369     366    -360     378      60
     366     360     378     381      85     366     360    -378     381      86
     366     360    -378     381      87     366     360    -378     381      88
     363     360     354     384      15     363     360     366     369      15
     363     360     366     372      15     363     360     366     375      15
     363     360     378     381      72     357     354     360     363      15
     357     354     360     366      15     357     354     360     378      73
     357     354    -360     378      60     357     354     384     387      10
     357     354    -384     387       3     357     354    -384     387      11
     357     354     384     390       3     354     360     366     369      23
     354     360     366     372      23     354     360     366     375      23
     354     360     378     381      89     354     360    -378     381      90
     354     360    -378     381      87     354     360    -378     381      91
     354     384     390     393       2     351     348     354     357       3
     351     348     354     360       3     351     348     354     384       3
     348     354     360     363      15     450     447     453     456       1
     450     447    -453     456       2     447     453     459     462       3
     438     435     441     444      54     432     429     426     435       7
     432     429    -426     435      95     432     429    -426     435      60
     432     429    -426     435      96     429     426     435     438      54
     426     435     441     444      54     423     420     426     429      54
     423     420     426     435      54     420     426     429     432       7
     420     426    -429     432      95     420     426    -429     432      60
     420     426    -429     432      96     420     426     435     438      54
     417     414     411     441      54     417     414     420     423      54
     417     414     420     426      54     414     411     441     444      54
     411     414     420     423      54     411     441     435     438      54
     408     402     396     447      15     408     402     411     414       3
     408     402     411     441       3     405     402     396     447      15
     405     402     411     414       3     405     402     411     441       3
     402     411     414     417      54     402     411     441     444      54
     399     396     402     405      15     399     396     402     408      15
     399     396     402     411      15     399     396     447     450      10
     399     396    -447     450       3     399     396    -447     450      11
     399     396     447     453       3     396     447     453     456       2
     393     390     396     399       3     393     390     396     402       3
     393     390     396     447       3     390     396     402     405      15
     390     396     402     408      15     483     480     486     489       1
     483     480    -486     489       2     480     486     492     495       3
     471     465     459     480      15     471     465     474     477     101
     468     465     459     480      15     468     465     474     477     101
     462     459     465     468      15     462     459     465     471      15
     462     459     465     474      15     462     459     480     483      10
     462     459    -480     483       3     462     459    -480     483      11
     462     459     480     486       3     459     465     474     477     102
     459     465    -474     477     103     459     465    -474     477     104
     459     465    -474     477     105     459     480     486     489       2
     456     453     459     462       3     456     453     459     465       3
     456     453     459     480       3     453     459     465     468      15
     453     459     465     471      15     534     531     537     540       1
     534     531    -537     540       2     531     537     543     546       3
     513     507     516     519     109     510     507     516     519     109
     507     516     519     522     109     507     516     519     525     109
     507     516     519     528     109     504     498     492     531      15
     504     498     507     510      15     504     498     507     513      15
     504     498     507     516      15     501     498     492     531      15
     501     498     507     510      15     501     498     507     513      15
     501     498     507     516      15     495     492     498     501      15
     495     492     498     504      15     495     492     498     507      15
     495     492     531     534      10     495     492    -531     534       3
     495     492    -531     534      11     495     492     531     537       3
     492     498     507     510      15     492     498     507     513      15
     492     531     537     540       2     489     486     492     495       3
     489     486     492     498       3     489     486     492     531       3
     486     492     498     501      15     486     492     498     504      15
     600     597     603     606       1     600     597    -603     606       2
     597     603     609     612       3     582     576     585     588      15
     582     576     585     591      15     582     576     585     594      15
     579     576     585     588      15     579     576     585     591      15
     579     576     585     594      15     573     567     576     579      15
     573     567     576     582      15     573     567     576     585      15
     570     567     576     579      15     570     567     576     582      15
     570     567     576     585      15     567     576     585     588      15
     567     576     585     591      15     567     576     585     594      15
     564     558     567     570      24     564     558     567     573      24
     564     558     567     576      23     561     558     567     570      24
     561     558     567     573      24     561     558     567     576      23
     558     567     576     579      15     558     567     576     582      15
     555     549     543     597      15     555     549     558     561      24
     555     549     558     564      24     555     549     558     567      23
     552     549     543     597      15     552     549     558     561      24
     552     549     558     564      24     552     549     558     567      23
     549     558     567     570      23     549     558     567     573      23
     546     543     549     552      15     546     543     549     555      15
     546     543     549     558      15     546     543     597     600      10
     546     543    -597     600       3     546     543    -597     600      11
     546     543     597     603       3     543     549     558     561      23
     543     549     558     564      23     543     597     603     606       2
     540     537     543     546       3     540     537     543     549       3
     540     537     543     597       3     537     543     549     552      15
     537     543     549     555      15     672     669     675     678       1
     672     669    -675     678       2     669     675     681     684       3
     657     651     648     660     124     657     651    -648     660       6
     654     651     648     660     124     654     651    -648     660       6
     651     648     660     663     124     651     648    -660     663       6
     651     648     660     666     124     651     648    -660     666       6
     645     642     648     651     124     645     642    -648     651       6
     645     642     648     660     124     645     642    -648     660       6
     642     648     651     654     124     642     648    -651     654       6
     642     648     651     657     124     642     648    -651     657       6
     642     648     660     663     124     642     648    -660     663       6
     642     648     660     666     124     642     648    -660     666       6
     639     633     642     645      60     639     633     642     648      60
     636     633     642     645      60     636     633     642     648      60
     630     624     633     636      15     630     624     633     639      15
     630     624     633     642      15     627     624     633     636      15
     627     624     633     639      15     627     624     633     642      15
     624     633     642     645      60     621     615     609     669      15
     621     615     624     627      24     621     615     624     630      24
     621     615     624     633      23     618     615     609     669      15
     618     615     624     627      24     618     615     624     630      24
     618     615     624     633      23     615     624     633     636      15
     615     624     633     639      15     612     609     615     618      15
     612     609     615     621      15     612     609     615     624      15
     612     609     669     672      10     612     609    -669     672       3
     612     609    -669     672      11     612     609     669     675       3
     609     615     624     627      23     609     615     624     630      23
     609     669     675     678       2     606     603     609     612       3
     606     603     609     615       3     606     603     609     669       3
     603     609     615     618      15     603     609     615     621      15
     723     720     726     729       1     723     720    -726     729       2
     720     726     732     735       3     711     708     714     717     125
     705     702     708     711     126     705     702     708     714     126
     702     708     714     717     125     699     696     714     717     127
     699     702     708     711     126     696     699     702     705     132
     696     714     708     711     125     693     687     681     720      15
     693     687     696     699       3     693     687     696     714       3
     690     687     681     720      15     690     687     696     699       3
     690     687     696     714       3     687     696     714     717     127
     684     681     687     690      15     684     681     687     693      15
     684     681     687     696      15     684     681     720     723      10
     684     681    -720     723       3     684     681    -720     723      11
     684     681     720     726       3     681     720     726     729       2
     678     675     681     684       3     678     675     681     687       3
     678     675     681     720       3     675     681     687     690      15
     675     681     687     693      15     795     792     798     801       1
     795     792    -798     801       2     792     798     804     807       3
     780     777     783     786      54     780     777     783     789      54
     774     771     777     780      54     774     771     777     783      54
     771     777     783     786      54     768     765     762     789      54
     768     765     771     774      54     768     765     771     777      54
     765     771     777     780      54     762     765     771     774      54
     762     789     783     786     141     759     756     762     765     142
     759     756     762     789     142     756     762     765     768      54
     753     750     747     789     143     753     750     756     759     125
     753     750     756     762     125     747     750     756     759     125
     747     789     783     786     141     744     738     732     792      15
     744     738     747     750       3     744     738     747     789       3
     741     738     732     792      15     741     738     747     750       3
     741     738     747     789       3     738     747     750     753     143
     735     732     738     741      15     735     732     738     744      15
     735     732     738     747      15     735     732     792     795      10
     735     732    -792     795       3     735     732    -792     795      11
     735     732     792     798       3     732     792     798     801       2
     729     726     732     735       3     729     726     732     738       3
     729     726     732     792       3     726     732     738     741      15
     726     732     738     744      15     831     828     834     837       1
     831     828    -834     837       2     828     834     840     843       3
     816     810     804     828      15     816     810     819     822       3
     816     810     819     825       3     813     810     804     828      15
     813     810     819     822       3     813     810     819     825       3
     807     804     810     813      15     807     804     810     816      15
     807     804     810     819      15     807     804     828     831      10
     807     804    -828     831       3     807     804    -828     831      11
     807     804     828     834       3     804     828     834     837       2
     801     798     804     807       3     801     798     804     810       3
     801     798     804     828       3     798     804     810     813      15
     798     804     810     816      15     876     873     879     882       1
     876     873    -879     882       2     873     879     885     888       3
     861     855     864     867       3     861     855     864     870       3
     858     855     864     867       3     858     855     864     870       3
     852     846     840     873      15     852     846     855     858      24
     852     846     855     861      24     852     846     855     864      15
     849     846     840     873      15     849     846     855     858      24
     849     846     855     861      24     849     846     855     864      15
     843     840     846     849      15     843     840     846     852      15
     843     840     846     855      15     843     840     873     876      10
     843     840    -873     876       3     843     840    -873     876      11
     843     840     873     879       3     840     846     855     858      23
     840     846     855     861      23     840     873     879     882       2
     837     834     840     843       3     837     834     840     846       3
     837     834     840     873       3     834     840     846     849      15
     834     840     846     852      15     918     915     921     924       1
     918     915    -921     924       2     915     921     927     930       3
     903     900     906     909       1     903     900    -906     909       2
     903     900     906     912       1     903     900    -906     912       2
     897     891     885     915      15     897     891     900     903      10
     897     891    -900     903       3     897     891    -900     903      11
     897     891     900     906       3     894     891     885     915      15
     894     891     900     903      10     894     891    -900     903       3
     894     891    -900     903      11     894     891     900     906       3
     891     900     906     909       2     891     900     906     912       2
     888     885     891     894      15     888     885     891     897      15
     888     885     891     900      15     888     885     915     918      10
     888     885    -915     918       3     888     885    -915     918      11
     888     885     915     921       3     885     915     921     924       2
     882     879     885     888       3     882     879     885     891       3
     882     879     885     915       3     879     885     891     894      15
     879     885     891     897      15     954     951     957     960       1
     954     951    -957     960       2     954     951     957     963       1
     954     951    -957     963       2     948     942     951     954      10
     948     942    -951     954       3     948     942    -951     954      11
     948     942     951     957       3     945     942     951     954      10
     945     942    -951     954       3     945     942    -951     954      11
     945     942     951     957       3     942     951     957     960       2
     942     951     957     963       2     939     933     927     966      15
     939     933     942     945      24     939     933     942     948      24
     939     933     942     951      15     936     933     927     966      15
     936     933     942     945      24     936     933     942     948      24
     936     933     942     951      15     930     927     933     936      15
     930     927     933     939      15     930     927     933     942      15
     930     927     966     969      10     930     927    -966     969       3
     930     927    -966     969      11     927     933     942     945      23
     927     933     942     948      23     924     921     927     930       3
     924     921     927     933       3     924     921     927     966       3
     921     927     933     936      15     921     927     933     939      15
      15      27     -21     -24     190      45      57     -51     -54     190
      93     105     -99    -102     190     150     162    -156    -159     190
     234     255    -261    -264     190     249     261    -255    -258     190
     243     255    -249    -252     190     237     249    -243    -246     190
     234     243    -237    -240     190     207     219    -213    -216     190
     309     321    -315    -318     190     342     354    -348    -351     190
     411     435    -441    -444     190     426     441    -435    -438     190
     414     426    -420    -423     190     411     420    -414    -417     190
     384     396    -390    -393     190     447     459    -453    -456     190
     480     492    -486    -489     190     531     543    -537    -540     190
     648     663    -660    -666     191     648     654    -651    -657     191
     633     648    -642    -645     191     597     609    -603    -606     190
     696     708    -714    -717     190     702     714    -708    -711     191
     699     708    -702    -705     190     669     681    -675    -678     190
     777     789    -783    -786     190     771     783    -777    -780     190
     765     777    -771    -774     190     762     771    -765    -768     190
     750     762    -756    -759     191     747     756    -750    -753     190
     720     732    -726    -729     190     792     804    -798    -801     190
     828     840    -834    -837     190     900     909    -906    -912     191
     873     885    -879    -882     190     951     960    -957    -963     191
     915     927    -921    -924     190
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      18      15      21      27       2      15      21      27      33       1
      15      21     -27      33       4      15      21     -27      33       5
      15      21     -27      33       6      15      21      27      45       7
      15      21     -27      45       8      15      21     -27      45       9
      15      21     -27      45       6       6      15      21      27       2
       0       6      15      18       3       0       6      15      21      12
       0       6     -15      21      13       0       6     -15      21      14
       0       6     -15      21       6      48      45      51      57       2
      45      51      57      63       1      45      51     -57      63       4
      45      51     -57      63       5      45      51     -57      63       6
      45      51      57      93       7      45      51     -57      93       8
      45      51     -57      93       9      45      51     -57      93       6
      33      27      45      48       3      33      27      45      51      16
      33      27     -45      51      17      33      27     -45      51      18
      33      27     -45      51       6      27      45      51      57       2
      21      27      45      48       3      21      27      45      51      12
      21      27     -45      51      13      21      27     -45      51      14
      21      27     -45      51       6      96      93      99     105       2
      93      99     105     111       1      93      99    -105     111       4
      93      99    -105     111       5      93      99    -105     111       6
      93      99     105     150       7      93      99    -105     150       8
      93      99    -105     150       9      93      99    -105     150       6
      81      63      57      93      19      81      63     -57      93      20
      81      63     -57      93      21      81      63     -57      93      22
      69      63      57      93      19      69      63     -57      93      20
      69      63     -57      93      21      69      63     -57      93      22
      63      57      93      96       3      63      57      93      99      16
      63      57     -93      99      17      63      57     -93      99      18
      63      57     -93      99       6      57      93      99     105       2
      51      57      63      69      25      51      57     -63      69      26
      51      57     -63      69      21      51      57     -63      69      27
      51      57      63      81      25      51      57     -63      81      26
      51      57     -63      81      21      51      57     -63      81      27
      51      57      93      96       3      51      57      93      99      12
      51      57     -93      99      13      51      57     -93      99      14
      51      57     -93      99       6     153     150     156     162       2
     150     156     162     168       1     150     156    -162     168       4
     150     156    -162     168       5     150     156    -162     168       6
     150     156     162     207       7     150     156    -162     207       8
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     234     261    -255     249      54     225     219     267     270       3
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     219     225     234     237       7     219     225    -234     237      59
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     219     225    -234     261      60     219     225    -234     261      61
     219     267     273     276       2     219     267     273     303       2
     213     219     225     234      62     213     219    -225     234      63
     213     219    -225     234      57     213     219    -225     234      64
     213     219     267     270       3     213     219     267     273      12
     213     219    -267     273      13     213     219    -267     273      14
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     309     315     321     327       1     309     315    -321     327       4
     309     315    -321     327       5     309     315    -321     327       6
     309     315     321     342       7     309     315    -321     342       8
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     294     303     309     315      16     294     303    -309     315      17
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     321     342     348     354       2     315     321     327     336      78
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     315     321     342     348      12     315     321    -342     348      13
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     387     384     390     396       2     384     390     396     402       1
     384     390    -396     402       4     384     390    -396     402       5
     384     390    -396     402       6     384     390     396     447       7
     384     390    -396     447       8     384     390    -396     447       9
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     378     360    -354     384      82     378     360    -354     384      83
     378     360    -354     384      84     366     360     354     384      19
     366     360    -354     384      20     366     360    -354     384      21
     366     360    -354     384      22     360     354     384     387       3
     360     354     384     390      16     360     354    -384     390      17
     360     354    -384     390      18     360     354    -384     390       6
     354     384     390     396       2     348     354     360     366      25
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     348     354    -360     366      27     348     354     360     378      92
     348     354    -360     378      93     348     354    -360     378      83
     348     354    -360     378      94     348     354     384     387       3
     348     354     384     390      12     348     354    -384     390      13
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     447     453    -459     480       8     447     453    -459     480       9
     447     453    -459     480       6     429     426     435     441      54
     420     414     411     441      54     420     426    -435     441      54
     414     411     441     435      54     414     420     426     429      54
     414     420    -426     435      54     411     402     396     447      55
     411     402    -396     447      56     411     402    -396     447      57
     411     402    -396     447      58     411     414     420     426      54
     411     441    -435     426      54     402     396     447     450       3
     402     396     447     453      16     402     396    -447     453      17
     402     396    -447     453      18     402     396    -447     453       6
     402     411     414     420      54     402     411     441     435      54
     396     402     411     414       7     396     402    -411     414      59
     396     402    -411     414      60     396     402    -411     414      61
     396     402     411     441       7     396     402    -411     441      59
     396     402    -411     441      60     396     402    -411     441      61
     396     447     453     459       2     390     396     402     411      62
     390     396    -402     411      63     390     396    -402     411      57
     390     396    -402     411      64     390     396     447     450       3
     390     396     447     453      12     390     396    -447     453      13
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     483     480     486     492       2     480     486     492     498       1
     480     486    -492     498       4     480     486    -492     498       5
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     474     465    -459     480      98     474     465    -459     480      99
     474     465    -459     480     100     465     459     480     483       3
     465     459     480     486      16     465     459    -480     486      17
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     507     498    -492     531     112     498     492     531     534       3
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     498     507     516     519     113     498     507    -516     519     114
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     492     531     537     543       2     486     492     498     507     121
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     486     492     531     537      12     486     492    -531     537      13
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     600     597     603     609       2     597     603     609     615       1
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     549     543     597     603      16     549     543    -597     603      17
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     633     642     648     660     124     633     642    -648     660       6
     624     615     609     669      15     624     633     642     648       7
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     723     720     726     732       2     720     726     732     738       1
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     720     726    -732     738       6     720     726     732     792       7
     720     726    -732     792       8     720     726    -732     792       9
     720     726    -732     792       6     702     699    -696     714     124
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     696     687    -681     720     130     696     687    -681     720     131
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     828     834    -840     873       6     819     810     804     828     156
     819     810    -804     828     157     819     810    -804     828     158
     819     810    -804     828     159     810     804     828     831       3
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     810     804    -828     834      18     810     804    -828     834       6
     804     810     819     822       7     804     810    -819     822     160
     804     810    -819     822      60     804     810    -819     822     161
     804     810     819     825       7     804     810    -819     825     160
     804     810    -819     825      60     804     810    -819     825     161
     804     828     834     840       2     798     804     810     819     162
     798     804    -810     819     163     798     804    -810     819     158
     798     804    -810     819     139     798     804     828     831       3
     798     804     828     834      12     798     804    -828     834      13
     798     804    -828     834      14     798     804    -828     834       6
     876     873     879     885       2     873     879     885     891       1
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     873     879    -885     891       6     873     879     885     915       7
     873     879    -885     915       8     873     879    -885     915       9
     873     879    -885     915       6     855     846     840     873     110
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     846     840     873     879      16     846     840    -873     879      17
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     840     846     855     864     166     840     846    -855     864     167
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     834     840    -873     879      14     834     840    -873     879       6
     918     915     921     927       2     915     921     927     933       1
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     915     921    -927     966       6     900     891     885     915     170
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     900     891    -885     915     173     891     885     915     918       3
     891     885     915     921      16     891     885    -915     921      17
     891     885    -915     921      18     891     885    -915     921       6
     885     891     900     903       7     885     891     900     906     174
     885     891    -900     906     175     885     891    -900     906     176
     885     891    -900     906     177     885     915     921     927       2
     879     885     891     900     178     879     885    -891     900     179
     879     885    -891     900     172     879     885    -891     900     180
     879     885     915     918       3     879     885     915     921      12
     879     885    -915     921      13     879     885    -915     921      14
     879     885    -915     921       6     942     933     927     966     110
     942     933    -927     966     111     942     933    -927     966      30
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     933     942     951     954       7     933     942     951     957     181
     933     942    -951     957     182     933     942    -951     957     183
     933     942    -951     957     184     927     933     942     951     185
     927     933    -942     951     186     927     933    -942     951     187
     927     933    -942     951     188     921     927     933     942     121
     921     927    -933     942     122     921     927    -933     942      30
     921     927    -933     942     123     921     927     966     969       3
       6      21     -15     -18     189      27      51     -45     -48     189
      57      99     -93     -96     189     105     156    -150    -153     189
     162     213    -207    -210     189     219     273    -267    -270     189
     237     261    -234    -225     190     303     315    -309    -312     189
     267     276    -273    -303     191     321     348    -342    -345     189
     354     390    -384    -387     189     396     453    -447    -450     189
     420     435    -426    -429     190     414     441    -411    -402     190
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     543     603    -597    -600     189     609     675    -669    -672     189
     642     651    -648    -660     189     681     726    -720    -723     189
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     789     738    -747    -750     190     804     834    -828    -831     189
     810     822    -819    -825     189     840     879    -873    -876     189
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     891     906    -900    -903     189     942     957    -951    -954     189
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       8       3       4       5
       6       4       5       6       7       8       9      10       5       6
       7       8       6       7       8       7       8       9      10      11
      12      16       8       9      10       9      10      11      12      13
      14      15      16      17      18      10      11      12      16      11
      12      13      14      15      16      17      18      19      20      12
      13      14      15      16      17      18      13      14      15      16
      17      18      14      15      16      15      16      16      17      18
      19      20      21      22      32      18      19      20      19      20
      21      22      23      24      28      32      33      34      20      21
      22      32      21      22      23      24      25      26      27      28
      29      30      31      32      33      34      35      36      22      23
      24      28      32      33      34      23      24      25      26      27
      28      29      30      31      32      33      34      24      25      26
      27      28      29      30      31      32      25      26      27      28
      29      30      31      32      26      27      28      27      28      28
      29      30      31      32      30      31      31       0      33      34
      35      36      37      38      51      34      35      36      35      36
      37      38      39      40      41      51      52      53      36      37
      38      51      37      38      39      40      41      42      43      47
      51      52      53      54      55      38      39      40      41      51
      52      53      39      40      41      42      43      44      45      46
      47      48      49      50      51      52      53      40      41      42
      43      47      51      41      42      43      47      51      42      43
      44      45      46      47      48      49      50      51      43      44
      45      46      47      48      49      50      44      45      46      47
      48      49      50      45      46      47      46      47      47      48
      49      50      49      50      50       0      52      53      54      55
      56      57      70      53      54      55      54      55      56      57
      58      59      63      70      71      72      55      56      57      70
      56      57      58      59      60      61      62      63      64      65
      66      70      71      72      73      74      57      58      59      63
      70      71      72      58      59      60      61      62      63      64
      65      66      67      68      69      70      71      72      59      60
      61      62      63      64      65      66      70      60      61      62
      63      64      65      66      70      61      62      63      62      63
      63      64      65      66      67      68      69      70      65      66
      67      68      69      66      67      68      69      67      68      69
      68      69      69       0      71      72      73      74      75      76
      90      72      73      74      73      74      75      76      77      78
      79      90      91      92      74      75      76      90      75      76
      77      78      79      80      88      90      91      92      93     102
      76      77      78      79      90      91      92      77      78      79
      80      81      82      86      88      89      90      91      92      78
      79      80      88      90      79      80      88      90      80      81
      82      83      84      86      87      88      89      90      81      82
      83      84      85      86      88      89      82      83      84      88
      83      84      85      86      87      88      84      85      86      85
      86      87      88      89      86      87      88      87      88      89
      88      89      89       0      91      92      93      94      95      96
      99     102     103     104      92      93     102      93      94      95
      96      97      98      99     100     101     102     103     104     105
     106      94      95      96      97      98      99     100     101     102
     103     104      95      96      97      98      99     102      96      97
      98      99     102      97      98      99     100     101     102     103
     104      98      99     100     101     102      99     100     101     102
     100     101     102     103     104     105     106     101     102     103
     104     102     103     104     103     104     105     106     107     108
     104     105     106     105     106     107     108     109     110     115
     106     107     108     107     108     109     110     111     112     113
     115     116     117     108     109     110     115     109     110     111
     112     113     114     115     116     117     118     119     110     111
     112     113     115     116     117     111     112     113     114     115
     116     117     112     113     114     115     113     114     115     114
     115       0     116     117     118     119     120     121     129     117
     118     119     118     119     120     121     122     123     127     129
     130     131     119     120     121     129     120     121     122     123
     124     125     126     127     128     129     130     131     132     133
     121     122     123     127     129     130     131     122     123     124
     125     126     127     128     129     130     131     123     124     125
     126     127     128     129     124     125     126     127     128     129
     125     126     127     126     127     127     128     129       0     130
     131     132     133     134     135     150     131     132     133     132
     133     134     135     136     137     138     150     151     152     133
     134     135     150     134     135     136     137     138     139     148
     150     151     152     153     154     135     136     137     138     150
     151     152     136     137     138     139     140     141     146     148
     149     150     151     152     137     138     139     148     150     138
     139     148     150     139     140     141     142     143     146     147
     148     149     150     140     141     142     143     144     146     148
     149     141     142     143     148     142     143     144     145     146
     147     148     143     144     146     144     145     146     147     148
     149     145     146     147     148     146     147     148     149     148
     149     149       0     151     152     153     154     155     156     161
     152     153     154     153     154     155     156     157     158     159
     161     162     163     154     155     156     161     155     156     157
     158     159     160     161     162     163     164     165     156     157
     158     159     161     162     163     157     158     159     160     161
     162     163     158     159     160     161     159     160     161     160
     161       0     162     163     164     165     166     167     178     163
     164     165     164     165     166     167     168     169     170     178
     179     180     165     166     167     178     166     167     168     169
     170     171     172     173     178     179     180     181     182     167
     168     169     170     178     179     180     168     169     170     171
     172     173     174     178     179     180     169     170     171     172
     173     178     170     171     172     173     178     171     172     173
     174     175     176     177     178     172     173     174     173     174
     174     175     176     177     175     176     177     176     177     177
       0     179     180     181     182     183     184     200     180     181
     182     181     182     183     184     185     186     187     200     201
     202     182     183     184     200     183     184     185     186     187
     188     189     190     200     201     202     203     204     184     185
     186     187     200     201     202     185     186     187     188     189
     190     191     192     193     200     201     202     186     187     188
     189     190     200     187     188     189     190     200     188     189
     190     191     192     193     194     195     196     200     189     190
     191     192     193     190     191     192     193     191     192     193
     194     195     196     197     198     199     192     193     194     195
     196     193     194     195     196     194     195     196     197     198
     199     195     196     197     198     199     196     197     198     199
     197     198     199     198     199     199       0     201     202     203
     204     205     206     224     202     203     204     203     204     205
     206     207     208     209     224     225     226     204     205     206
     224     205     206     207     208     209     210     211     212     224
     225     226     227     228     206     207     208     209     224     225
     226     207     208     209     210     211     212     213     214     215
     224     225     226     208     209     210     211     212     224     209
     210     211     212     224     210     211     212     213     214     215
     216     217     224     211     212     213     214     215     212     213
     214     215     213     214     215     216     217     218     221     214
     215     216     217     215     216     217     216     217     218     219
     220     221     222     223     217     218     221     218     219     220
     221     222     223     219     220     221     222     223     220     221
     221     222     223     223       0     225     226     227     228     229
     230     241     226     227     228     227     228     229     230     231
     232     233     241     242     243     228     229     230     241     229
     230     231     232     233     234     239     241     242     243     244
     245     230     231     232     233     241     242     243     231     232
     233     234     235     237     239     240     241     242     243     232
     233     234     239     241     233     234     239     241     234     235
     236     237     238     239     240     241     235     236     237     238
     239     240     236     237     238     239     240     237     238     239
     238     239     240     239     240     240       0     242     243     244
     245     246     247     265     243     244     245     244     245     246
     247     248     249     250     265     266     267     245     246     247
     265     246     247     248     249     250     251     264     265     266
     267     268     269     247     248     249     250     265     266     267
     248     249     250     251     252     253     255     262     264     265
     266     267     249     250     251     264     265     250     251     264
     265     251     252     253     254     255     256     260     262     263
     264     265     252     253     254     255     256     262     264     253
     254     255     264     254     255     256     257     258     262     264
     255     256     264     256     257     258     259     260     262     263
     264     257     258     259     260     261     262     264     258     259
     260     264     259     260     261     262     263     264     260     261
     262     261     262     263     264     262     263     264     263     264
     264       0     266     267     268     269     270     271     277     267
     268     269     268     269     270     271     272     273     274     277
     278     279     269     270     271     277     270     271     272     273
     274     275     276     277     278     279     280     281     271     272
     273     274     277     278     279     272     273     274     275     276
     277     278     279     273     274     275     276     277     274     275
     276     277     275     276     277     276       0     278     279     280
     281     282     283     292     279     280     281     280     281     282
     283     284     285     286     292     293     294     281     282     283
     292     282     283     284     285     286     287     288     289     292
     293     294     295     296     283     284     285     286     292     293
     294     284     285     286     287     288     289     290     291     292
     293     294     285     286     287     288     289     292     286     287
     288     289     292     287     288     289     290     291     292     288
     289     290     291     289     290     291     290     291     291       0
     293     294     295     296     297     298     306     294     295     296
     295     296     297     298     299     300     301     306     307     308
     296     297     298     306     297     298     299     300     301     302
     303     306     307     308     309     310     298     299     300     301
     306     307     308     299     300     301     302     303     304     305
     306     307     308     300     301     302     303     306     301     302
     303     306     302     303     304     305     306     303     304     305
     304     305     305       0     307     308     309     310     311     312
     323     308     309     310     309     310     311     312     313     314
     315     323     324     310     311     312     323     311     312     313
     314     315     316     317     318     323     324     312     313     314
     315     323     324     313     314     315     316     317     318     319
     320     323     324     314     315     316     317     318     323     315
     316     317     318     323     316     317     318     319     320     321
     322     323     317     318     319     320     318     319     320     319
     320     321     322     320     321     322     321     322     322       0
     324       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
N   H   CX  H1  H1  C   O   N   H   CX  H1  CT  HC  HC  HC  C   O   N   H   CX  
H1  3C  HC  CT  HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CX  H1  2C  HC  HC  
3C  HC  CT  HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CX  H1  3C  HC  CT  HC  
HC  HC  2C  HC  HC  CT  HC  HC  HC  C   O   N   H   CX  H1  CT  HC  HC  CA  CA  
HA  CA  HA  CA  HA  CA  HA  CA  HA  C   O   N   CT  H1  H1  CT  HC  HC  CT  HC  
HC  CX  H1  C   O   N   H   CX  H1  2C  H1  H1  OH  HO  C   O   N   H   CX  H1  
3C  H1  CT  HC  HC  HC  OH  HO  C   O   N   H   CX  H1  CT  HC  HC  CA  CA  HA  
CA  HA  C   OH  HO  CA  HA  CA  HA  C   O   N   H   CX  H1  2C  H1  H1  SH  HS  
C   O   N   H   CX  H1  2C  HC  HC  2C  H1  H1  S   CT  H1  H1  H1  C   O   N   
H   CX  H1  C8  HC  HC  C8  HC  HC  C8  HC  HC  C8  HP  HP  N3  H   H   H   C   
O   N   H   CX  H1  C8  HC  HC  C8  HC  HC  C8  H1  H1  N2  H   CA  N2  H   H   
N2  H   H   C   O   N   H   CX  H1  CT  HC  HC  CC  NB  CR  H5  NA  H   CW  H4  
C   O   N   H   CX  H1  CT  HC  HC  C*  CW  H4  NA  H   CN  CA  HA  CA  HA  CA  
HA  CA  HA  CB  C   O   N   H   CX  H1  2C  HC  HC  CO  O2  O2  C   O   N   H   
CX  H1  2C  HC  HC  2C  HC  HC  CO  O2  O2  C   O   N   H   CX  H1  2C  HC  HC  
C   O   N   H   H   C   O   N   H   CX  H1  2C  HC  HC  2C  HC  HC  C   O   N   
H   H   C   O   
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   E   M   E   E   M   E   M   E   M   E   3   E   E   E   M   E   M   E   M   
E   3   E   3   E   E   E   3   E   E   E   M   E   M   E   M   E   3   E   E   
3   E   3   E   E   E   3   E   E   E   M   E   M   E   M   E   3   E   3   E   
E   E   3   E   E   3   E   E   E   M   E   M   E   M   E   3   E   E   B   B   
E   B   E   B   E   S   E   S   E   M   E   M   3   E   E   3   E   E   B   E   
E   M   E   M   E   M   E   M   E   3   E   E   S   E   M   E   M   E   M   E   
3   E   3   E   E   E   S   E   M   E   M   E   M   E   3   E   E   B   B   E   
B   E   B   S   E   S   E   S   E   M   E   M   E   M   E   3   E   E   S   E   
M   E   M   E   M   E   3   E   E   3   E   E   S   3   E   E   E   M   E   M   
E   M   E   3   E   E   3   E   E   3   E   E   3   E   E   3   E   E   E   M   
E   M   E   M   E   3   E   E   3   E   E   3   E   E   B   E   B   B   E   E   
B   E   E   M   E   M   E   M   E   3   E   E   B   E   S   E   B   E   B   E   
M   E   M   E   M   E   3   E   E   B   B   E   B   E   S   B   E   B   E   B   
E   S   E   E   M   E   M   E   M   E   3   E   E   B   E   E   M   E   M   E   
M   E   3   E   E   3   E   E   B   E   E   M   E   M   E   M   E   3   E   E   
B   E   B   E   E   M   E   M   E   M   E   3   E   E   3   E   E   B   E   B   
E   E   M   E   
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00
  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.20000000E+00  1.20000000E+00  1.50000000E+00  8.00000000E-01  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00
  1.30000000E+00  1.50000000E+00  8.00000000E-01  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00  8.00000000E-01
  1.70000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00
  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.80000000E+00  8.00000000E-01
  1.70000000E+00  1.50000000E+00  1.55000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00
  1.20000000E+00  1.20000000E+00  1.80000000E+00  1.70000000E+00  1.30000000E+00
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%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
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%FLAG IPOL                                                                      
%FORMAT(1I8)                                                                    
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