*HEADER    DNA                                     28-FEB-03   1ONM              
*TITLE     SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING A:G MISMATCH.           
*TITLE    2 D(GCTTCAGTCGT):D(ACGACGGAAGC)                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*GP*CP*TP*TP*CP*AP*GP*TP*CP*GP*T)-3';                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-D(*AP*CP*GP*AP*CP*GP*GP*AP*AP*GP*C)-3';                 
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    A/G MISMATCH, A:G MISMATCH, A/G MISPAIR, A:G MISPAIR                  
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.M.SANCHEZ, D.E.VOLK, D.G.GORENSTEIN, R.S.LLOYD                      
*REVDAT   1   04-NOV-03 1ONM    0                                                


 SANDER RESTRAINT INPUT FILE FROM MORASS
     ******** Section Three ******** 
 &rst
 iat(1) =   12     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.053 ,
 r2     =  4.560   , r3     =  5.573  , r4    =  6.080 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.904 ,
 r2     =  4.392   , r3     =  5.368  , r4    =  5.856 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.313 ,
 r2     =  4.852   , r3     =  5.930  , r4    =  6.469 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.543 ,
 r2     =  3.986   , r3     =  4.872  , r4    =  5.315 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.929 ,
 r2     =  4.420   , r3     =  5.402  , r4    =  5.893 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.974 ,
 r2     =  4.471   , r3     =  5.465  , r4    =  5.961 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.485 ,
 r2     =  3.920   , r3     =  4.791  , r4    =  5.227 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.918 ,
 r2     =  4.407   , r3     =  5.387  , r4    =  5.876 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.969 ,
 r2     =  4.465   , r3     =  5.457  , r4    =  5.953 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.625 ,
 r2     =  4.078   , r3     =  4.984  , r4    =  5.437 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.300 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.885 ,
 r2     =  4.370   , r3     =  5.342  , r4    =  5.827 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.354 ,
 r2     =  4.899   , r3     =  5.987  , r4    =  6.531 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.466 ,
 r2     =  2.775   , r3     =  3.391  , r4    =  3.700 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.991 ,
 r2     =  3.365   , r3     =  4.113  , r4    =  4.487 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.772 ,
 r2     =  4.244   , r3     =  5.187  , r4    =  5.658 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.216 ,
 r2     =  3.618   , r3     =  4.422  , r4    =  4.824 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.796 ,
 r2     =  3.145   , r3     =  3.844  , r4    =  4.194 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.703 ,
 r2     =  3.041   , r3     =  3.717  , r4    =  4.055 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.923 ,
 r2     =  3.289   , r3     =  4.019  , r4    =  4.385 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.157 ,
 r2     =  3.551   , r3     =  4.341  , r4    =  4.735 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.299 ,
 r2     =  3.712   , r3     =  4.536  , r4    =  4.949 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.891 ,
 r2     =  3.253   , r3     =  3.975  , r4    =  4.337 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    5     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.210 ,
 r2     =  4.561   , r3     =  5.163  , r4    =  5.414 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.428 ,
 r2     =  3.856   , r3     =  4.714  , r4    =  5.142 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.458 ,
 r2     =  2.765   , r3     =  3.379  , r4    =  3.686 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.468 ,
 r2     =  5.027   , r3     =  6.143  , r4    =  6.702 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.455 ,
 r2     =  3.887   , r3     =  4.751  , r4    =  5.183 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   17    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.699 ,
 r2     =  3.037   , r3     =  3.711  , r4    =  4.049 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.783 ,
 r2     =  3.131   , r3     =  3.827  , r4    =  4.175 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.842 ,
 r2     =  4.323   , r3     =  5.283  , r4    =  5.764 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.678 ,
 r2     =  4.138   , r3     =  5.058  , r4    =  5.518 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.415 ,
 r2     =  4.967   , r3     =  6.071  , r4    =  6.623 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.699 ,
 r2     =  3.036   , r3     =  3.711  , r4    =  4.048 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.130 ,
 r2     =  2.397   , r3     =  2.929  , r4    =  3.196 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.303 ,
 r2     =  2.591   , r3     =  3.167  , r4    =  3.455 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.685 ,
 r2     =  3.021   , r3     =  3.692  , r4    =  4.028 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.203 ,
 r2     =  3.554   , r3     =  4.554  , r4    =  4.805 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.905 ,
 r2     =  4.393   , r3     =  5.369  , r4    =  5.857 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.597 ,
 r2     =  4.046   , r3     =  4.946  , r4    =  5.395 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.040 ,
 r2     =  3.420   , r3     =  4.180  , r4    =  4.560 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.909 ,
 r2     =  3.272   , r3     =  4.000  , r4    =  4.363 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.184 ,
 r2     =  3.582   , r3     =  4.378  , r4    =  4.776 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.764 ,
 r2     =  3.109   , r3     =  3.800  , r4    =  4.146 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.390 ,
 r2     =  3.814   , r3     =  4.662  , r4    =  5.086 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.115 ,
 r2     =  4.630   , r3     =  5.659  , r4    =  6.173 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.426 ,
 r2     =  3.855   , r3     =  4.711  , r4    =  5.140 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.107 ,
 r2     =  3.496   , r3     =  4.272  , r4    =  4.661 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.011 ,
 r2     =  3.388   , r3     =  4.140  , r4    =  4.517 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.900 ,
 r2     =  4.200   , r3     =  5.000  , r4    =  5.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.000 ,
 r2     =  4.300   , r3     =  5.300  , r4    =  5.700 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.132 ,
 r2     =  5.773   , r3     =  7.056  , r4    =  7.698 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.820 ,
 r2     =  3.173   , r3     =  3.878  , r4    =  4.230 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.015 ,
 r2     =  3.392   , r3     =  4.146  , r4    =  4.523 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.789 ,
 r2     =  3.137   , r3     =  3.835  , r4    =  4.183 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.693 ,
 r2     =  4.154   , r3     =  5.078  , r4    =  5.539 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.720 ,
 r2     =  3.060   , r3     =  3.740  , r4    =  4.080 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.300   , r3     =  3.900  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.073 ,
 r2     =  3.457   , r3     =  4.225  , r4    =  4.609 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.682 ,
 r2     =  3.018   , r3     =  3.688  , r4    =  4.024 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.650 ,
 r2     =  2.981   , r3     =  3.643  , r4    =  3.974 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.854 ,
 r2     =  3.211   , r3     =  3.925  , r4    =  4.282 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.798 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.163 ,
 r2     =  3.559   , r3     =  4.349  , r4    =  4.745 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.042 ,
 r2     =  2.298   , r3     =  2.808  , r4    =  3.064 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.172 ,
 r2     =  3.569   , r3     =  4.361  , r4    =  4.758 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   17    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.512 ,
 r2     =  3.951   , r3     =  4.829  , r4    =  5.268 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.254 ,
 r2     =  3.661   , r3     =  4.474  , r4    =  4.881 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   17    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.614 ,
 r2     =  2.941   , r3     =  3.595  , r4    =  3.922 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   17    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.165 ,
 r2     =  3.561   , r3     =  4.352  , r4    =  4.748 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.378 ,
 r2     =  4.925   , r3     =  6.019  , r4    =  6.566 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   17    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.838 ,
 r2     =  3.193   , r3     =  3.903  , r4    =  4.258 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.174 ,
 r2     =  2.445   , r3     =  2.989  , r4    =  3.260 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.070 ,
 r2     =  4.578   , r3     =  5.596  , r4    =  6.104 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.000   , r3     =  5.000  , r4    =  5.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.138 ,
 r2     =  2.405   , r3     =  2.939  , r4    =  3.206 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.170 ,
 r2     =  4.692   , r3     =  5.734  , r4    =  6.256 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.644 ,
 r2     =  4.099   , r3     =  5.010  , r4    =  5.466 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.038 ,
 r2     =  3.417   , r3     =  4.177  , r4    =  4.556 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2', atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.287 ,
 r2     =  3.511   , r3     =  4.107  , r4    =  4.481 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.893 ,
 r2     =  3.254   , r3     =  3.978  , r4    =  4.339 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   17    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.332 ,
 r2     =  2.623   , r3     =  3.206  , r4    =  3.498 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.518 ,
 r2     =  2.832   , r3     =  3.462  , r4    =  3.776 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.855 ,
 r2     =  3.212   , r3     =  3.926  , r4    =  4.283 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.043 ,
 r2     =  3.424   , r3     =  4.184  , r4    =  4.565 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.900 ,
 r2     =  4.200   , r3     =  4.800  , r4    =  5.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.100 ,
 r2     =  3.400   , r3     =  4.000  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.171 ,
 r2     =  2.443   , r3     =  2.985  , r4    =  3.257 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.556 ,
 r2     =  2.875   , r3     =  3.514  , r4    =  3.834 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.783 ,
 r2     =  3.131   , r3     =  3.827  , r4    =  4.175 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.891 ,
 r2     =  3.253   , r3     =  3.975  , r4    =  4.337 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.494 ,
 r2     =  3.930   , r3     =  4.804  , r4    =  5.240 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.042 ,
 r2     =  3.423   , r3     =  4.183  , r4    =  4.564 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.358 ,
 r2     =  3.777   , r3     =  4.617  , r4    =  5.036 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.456 ,
 r2     =  3.888   , r3     =  4.752  , r4    =  5.184 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.349 ,
 r2     =  3.767   , r3     =  4.605  , r4    =  5.023 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.023 ,
 r2     =  3.401   , r3     =  4.157  , r4    =  4.535 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.300 ,
 r2     =  2.588   , r3     =  3.162  , r4    =  3.450 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.394 ,
 r2     =  2.694   , r3     =  3.292  , r4    =  3.592 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.466 ,
 r2     =  2.774   , r3     =  3.390  , r4    =  3.698 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.500   , r3     =  4.500  , r4    =  4.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.726 ,
 r2     =  3.066   , r3     =  3.748  , r4    =  4.088 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.400   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.086 ,
 r2     =  3.472   , r3     =  4.244  , r4    =  4.630 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.400   , r3     =  4.200  , r4    =  4.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.250 ,
 r2     =  2.531   , r3     =  3.093  , r4    =  3.374 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.526 ,
 r2     =  2.842   , r3     =  3.474  , r4    =  3.790 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.627 ,
 r2     =  2.956   , r3     =  3.612  , r4    =  3.941 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.898 ,
 r2     =  2.136   , r3     =  2.610  , r4    =  2.848 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.455 ,
 r2     =  2.762   , r3     =  3.376  , r4    =  3.683 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.200   , r3     =  2.800  , r4    =  3.031 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.000   , r3     =  5.000  , r4    =  5.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.500   , r3     =  4.100  , r4    =  4.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.860 ,
 r2     =  4.342   , r3     =  5.307  , r4    =  5.790 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    5     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.342 ,
 r2     =  2.634   , r3     =  3.220  , r4    =  3.513 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    5     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.500   , r3     =  4.200  , r4    =  4.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.463 ,
 r2     =  2.771   , r3     =  3.387  , r4    =  3.695 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.467   , r3     =  4.815  , r4    =  5.389 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.500   , r3     =  4.000  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.435 ,
 r2     =  2.740   , r3     =  3.348  , r4    =  3.653 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.454 ,
 r2     =  2.761   , r3     =  3.375  , r4    =  3.682 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.670 ,
 r2     =  3.004   , r3     =  3.672  , r4    =  4.006 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.574 ,
 r2     =  2.895   , r3     =  3.539  , r4    =  3.860 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.653 ,
 r2     =  2.984   , r3     =  3.648  , r4    =  3.979 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.494 ,
 r2     =  3.931   , r3     =  4.805  , r4    =  5.242 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.835 ,
 r2     =  3.190   , r3     =  3.898  , r4    =  4.253 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.809 ,
 r2     =  3.160   , r3     =  3.862  , r4    =  4.213 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.504 ,
 r2     =  2.817   , r3     =  3.443  , r4    =  3.756 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.226 ,
 r2     =  3.629   , r3     =  4.435  , r4    =  4.838 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.033 ,
 r2     =  2.287   , r3     =  2.795  , r4    =  3.049 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.806 ,
 r2     =  4.282   , r3     =  5.234  , r4    =  5.710 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.767 ,
 r2     =  6.488   , r3     =  7.930  , r4    =  8.651 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.334 ,
 r2     =  3.751   , r3     =  4.585  , r4    =  5.002 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.348 ,
 r2     =  2.566   , r3     =  3.703  , r4    =  4.021 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.976 ,
 r2     =  3.348   , r3     =  4.092  , r4    =  4.464 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.100 ,
 r2     =  3.400   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.974 ,
 r2     =  2.220   , r3     =  2.714  , r4    =  2.960 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.414 ,
 r2     =  2.716   , r3     =  3.320  , r4    =  3.622 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.301   , r3     =  3.900  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.206 ,
 r2     =  2.482   , r3     =  3.034  , r4    =  3.310 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.440 ,
 r2     =  2.745   , r3     =  3.355  , r4    =  3.660 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.670 ,
 r2     =  1.878   , r3     =  2.296  , r4    =  2.504 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.189 ,
 r2     =  2.462   , r3     =  3.010  , r4    =  3.283 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.757 ,
 r2     =  3.101   , r3     =  3.791  , r4    =  4.135 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.008 ,
 r2     =  3.384   , r3     =  4.136  , r4    =  4.512 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.000 ,
 r2     =  2.300   , r3     =  2.900  , r4    =  3.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.718 ,
 r2     =  1.933   , r3     =  2.363  , r4    =  2.578 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.024 ,
 r2     =  2.277   , r3     =  2.783  , r4    =  3.036 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.500   , r3     =  4.300  , r4    =  4.600 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.754 ,
 r2     =  1.974   , r3     =  2.412  , r4    =  2.632 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.930 ,
 r2     =  2.171   , r3     =  2.653  , r4    =  2.894 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.865 ,
 r2     =  2.098   , r3     =  2.564  , r4    =  2.797 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.084 ,
 r2     =  2.345   , r3     =  2.865  , r4    =  3.126 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.640 ,
 r2     =  2.970   , r3     =  3.630  , r4    =  3.960 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.877 ,
 r2     =  2.111   , r3     =  2.581  , r4    =  2.815 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.300 ,
 r2     =  3.600   , r3     =  4.200  , r4    =  4.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.300 ,
 r2     =  3.500   , r3     =  4.200  , r4    =  4.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.300 ,
 r2     =  3.700   , r3     =  4.300  , r4    =  4.600 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.695 ,
 r2     =  1.907   , r3     =  2.331  , r4    =  2.543 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.405 ,
 r2     =  2.705   , r3     =  3.307  , r4    =  3.607 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.138 ,
 r2     =  2.405   , r3     =  2.939  , r4    =  3.206 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.141 ,
 r2     =  2.408   , r3     =  2.944  , r4    =  3.211 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.390 ,
 r2     =  2.688   , r3     =  3.286  , r4    =  3.584 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    5     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.280 ,
 r2     =  2.565   , r3     =  3.135  , r4    =  3.420 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.994 ,
 r2     =  2.244   , r3     =  2.742  , r4    =  2.992 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.335 ,
 r2     =  2.627   , r3     =  3.211  , r4    =  3.503 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.938 ,
 r2     =  2.181   , r3     =  2.665  , r4    =  2.908 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.938 ,
 r2     =  3.305   , r3     =  4.039  , r4    =  4.406 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.300 ,
 r2     =  3.600   , r3     =  4.200  , r4    =  4.590 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.773 ,
 r2     =  1.994   , r3     =  2.438  , r4    =  2.659 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.156 ,
 r2     =  2.425   , r3     =  2.964  , r4    =  3.234 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.421 ,
 r2     =  2.723   , r3     =  3.329  , r4    =  3.631 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.042 ,
 r2     =  2.298   , r3     =  2.808  , r4    =  3.064 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.655 ,
 r2     =  2.987   , r3     =  3.651  , r4    =  3.983 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.879 ,
 r2     =  3.239   , r3     =  3.959  , r4    =  4.319 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.652 ,
 r2     =  2.984   , r3     =  3.647  , r4    =  3.978 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.097 ,
 r2     =  4.609   , r3     =  5.634  , r4    =  6.146 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.317 ,
 r2     =  2.606   , r3     =  3.186  , r4    =  3.475 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.817 ,
 r2     =  3.169   , r3     =  3.873  , r4    =  4.225 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.635 ,
 r2     =  2.965   , r3     =  3.623  , r4    =  3.953 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.700 ,
 r2     =  3.000   , r3     =  3.700  , r4    =  4.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.570 ,
 r2     =  2.892   , r3     =  3.534  , r4    =  3.856 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.102 ,
 r2     =  4.615   , r3     =  5.640  , r4    =  6.153 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.050 ,
 r2     =  2.306   , r3     =  2.818  , r4    =  3.074 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.197 ,
 r2     =  2.471   , r3     =  3.021  , r4    =  3.295 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.090 ,
 r2     =  3.476   , r3     =  4.248  , r4    =  4.634 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.500   , r3     =  4.000  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.868 ,
 r2     =  3.227   , r3     =  3.944  , r4    =  4.302 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.500   , r3     =  4.000  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.718 ,
 r2     =  3.058   , r3     =  3.738  , r4    =  4.078 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.561 ,
 r2     =  4.007   , r3     =  4.897  , r4    =  5.342 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.301 ,
 r2     =  2.588   , r3     =  3.164  , r4    =  3.451 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.234 ,
 r2     =  3.638   , r3     =  4.446  , r4    =  4.850 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.565 ,
 r2     =  4.010   , r3     =  4.902  , r4    =  5.347 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.404 ,
 r2     =  2.705   , r3     =  3.306  , r4    =  3.606 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.906 ,
 r2     =  3.269   , r3     =  3.996  , r4    =  4.359 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.650 ,
 r2     =  4.106   , r3     =  5.019  , r4    =  5.475 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   17     , iat(2) =   17    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.067 ,
 r2     =  4.576   , r3     =  5.592  , r4    =  6.101 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.333 ,
 r2     =  4.875   , r3     =  5.958  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.841 ,
 r2     =  3.196   , r3     =  3.906  , r4    =  4.261 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.602 ,
 r2     =  4.053   , r3     =  4.953  , r4    =  5.404 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.711 ,
 r2     =  4.175   , r3     =  5.103  , r4    =  5.567 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.383 ,
 r2     =  4.931   , r3     =  6.027  , r4    =  6.575 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.401 ,
 r2     =  3.826   , r3     =  4.676  , r4    =  5.101 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.080 ,
 r2     =  3.466   , r3     =  4.236  , r4    =  4.621 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.586 ,
 r2     =  4.035   , r3     =  4.931  , r4    =  5.380 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.337 ,
 r2     =  4.879   , r3     =  5.963  , r4    =  6.505 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.188 ,
 r2     =  3.586   , r3     =  4.384  , r4    =  4.782 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.337 ,
 r2     =  4.879   , r3     =  5.963  , r4    =  6.505 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.714 ,
 r2     =  3.053   , r3     =  3.731  , r4    =  4.070 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.400 ,
 r2     =  3.700   , r3     =  4.500  , r4    =  4.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.797 ,
 r2     =  3.146   , r3     =  3.846  , r4    =  4.195 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.532 ,
 r2     =  3.974   , r3     =  4.857  , r4    =  5.298 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.668 ,
 r2     =  1.877   , r3     =  2.293  , r4    =  2.502 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.382 ,
 r2     =  2.679   , r3     =  3.275  , r4    =  3.572 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   15     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.791 ,
 r2     =  2.015   , r3     =  2.463  , r4    =  2.687 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.813 ,
 r2     =  2.039   , r3     =  2.493  , r4    =  2.719 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.906 ,
 r2     =  2.144   , r3     =  2.620  , r4    =  2.858 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.840 ,
 r2     =  2.070   , r3     =  2.530  , r4    =  2.760 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.694 ,
 r2     =  1.906   , r3     =  2.330  , r4    =  2.542 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.655 ,
 r2     =  1.862   , r3     =  2.276  , r4    =  2.483 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.974 ,
 r2     =  2.221   , r3     =  2.715  , r4    =  2.962 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.844 ,
 r2     =  2.075   , r3     =  2.536  , r4    =  2.766 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.753 ,
 r2     =  3.097   , r3     =  3.785  , r4    =  4.129 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.913 ,
 r2     =  2.152   , r3     =  2.630  , r4    =  2.869 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.224 ,
 r2     =  2.502   , r3     =  3.058  , r4    =  3.336 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.742 ,
 r2     =  1.959   , r3     =  2.395  , r4    =  2.612 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.038 ,
 r2     =  2.292   , r3     =  2.802  , r4    =  3.056 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.392 ,
 r2     =  2.691   , r3     =  3.289  , r4    =  3.588 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.772 ,
 r2     =  1.993   , r3     =  2.436  , r4    =  2.658 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.200 ,
 r2     =  2.400   , r3     =  2.900  , r4    =  3.100 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   19     , iat(2) =   19    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.798 ,
 r2     =  2.022   , r3     =  2.472  , r4    =  2.696 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.162 ,
 r2     =  2.433   , r3     =  2.973  , r4    =  3.244 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    6     , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.174 ,
 r2     =  2.446   , r3     =  2.990  , r4    =  3.262 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.834 ,
 r2     =  2.064   , r3     =  2.522  , r4    =  2.752 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   21     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.086 ,
 r2     =  2.346   , r3     =  2.868  , r4    =  3.128 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2', atnam(2) = 'H5  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.426 ,
 r2     =  2.729   , r3     =  3.335  , r4    =  3.638 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    5     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.176 ,
 r2     =  2.448   , r3     =  2.992  , r4    =  3.264 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    5     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.052 ,
 r2     =  2.309   , r3     =  2.822  , r4    =  3.078 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.777 ,
 r2     =  1.999   , r3     =  2.443  , r4    =  2.665 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    9     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.200 ,
 r2     =  2.500   , r3     =  3.500  , r4    =  3.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.965 ,
 r2     =  2.210   , r3     =  2.702  , r4    =  2.947 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.475 ,
 r2     =  2.785   , r3     =  3.403  , r4    =  3.713 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.922 ,
 r2     =  2.163   , r3     =  2.643  , r4    =  2.884 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   14     , iat(2) =   14    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.050 ,
 r2     =  2.307   , r3     =  2.819  , r4    =  3.076 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.101 ,
 r2     =  2.363   , r3     =  2.889  , r4    =  3.151 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   18     , iat(2) =   18    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.994 ,
 r2     =  2.243   , r3     =  2.741  , r4    =  2.990 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.354 ,
 r2     =  2.648   , r3     =  3.236  , r4    =  3.530 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.953 ,
 r2     =  3.322   , r3     =  4.060  , r4    =  4.429 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.249 ,
 r2     =  2.530   , r3     =  3.092  , r4    =  3.373 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.584 ,
 r2     =  2.907   , r3     =  3.553  , r4    =  3.876 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.891 ,
 r2     =  3.253   , r3     =  3.975  , r4    =  4.337 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.852 ,
 r2     =  2.084   , r3     =  2.546  , r4    =  2.778 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   13     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.352 ,
 r2     =  2.646   , r3     =  3.234  , r4    =  3.528 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.520 ,
 r2     =  2.835   , r3     =  3.465  , r4    =  3.780 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.888 ,
 r2     =  3.249   , r3     =  3.971  , r4    =  4.332 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   15    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.635 ,
 r2     =  2.965   , r3     =  3.623  , r4    =  3.953 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.406 ,
 r2     =  4.957   , r3     =  6.059  , r4    =  6.609 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.954 ,
 r2     =  3.324   , r3     =  4.062  , r4    =  4.432 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   22    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.418 ,
 r2     =  3.845   , r3     =  4.700  , r4    =  5.127 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   22     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.487 ,
 r2     =  2.798   , r3     =  3.420  , r4    =  3.731 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    5     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.518 ,
 r2     =  2.833   , r3     =  3.463  , r4    =  3.778 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    5     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.314 ,
 r2     =  2.603   , r3     =  3.181  , r4    =  3.470 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   20     , iat(2) =   21    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2', atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.074 ,
 r2     =  3.459   , r3     =  4.227  , r4    =  4.611 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2', atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.400 ,
 r2     =  3.700   , r3     =  4.700  , r4    =  5.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    7     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2', atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.500   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   12     , iat(2) =   13    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2', atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.562 ,
 r2     =  2.883   , r3     =  3.523  , r4    =  3.844 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.308 ,
 r2     =  3.721   , r3     =  4.548  , r4    =  4.961 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.242 ,
 r2     =  4.772   , r3     =  5.832  , r4    =  6.362 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.865 ,
 r2     =  3.223   , r3     =  3.940  , r4    =  4.298 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.282 ,
 r2     =  5.942   , r3     =  7.262  , r4    =  7.923 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.831 ,
 r2     =  4.310   , r3     =  5.268  , r4    =  5.747 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.419 ,
 r2     =  2.721   , r3     =  3.326  , r4    =  3.628 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.996 ,
 r2     =  2.246   , r3     =  2.745  , r4    =  2.994 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.212 ,
 r2     =  3.614   , r3     =  4.417  , r4    =  4.819 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.600 ,
 r2     =  5.000   , r3     =  6.000  , r4    =  6.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    4     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.412 ,
 r2     =  2.713   , r3     =  3.316  , r4    =  3.617 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.700 ,
 r2     =  5.000   , r3     =  6.000  , r4    =  6.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.661 ,
 r2     =  2.993   , r3     =  3.659  , r4    =  3.991 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.057 ,
 r2     =  2.315   , r3     =  2.829  , r4    =  3.086 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.954 ,
 r2     =  3.324   , r3     =  4.062  , r4    =  4.431 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.417 ,
 r2     =  3.844   , r3     =  4.698  , r4    =  5.125 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.054 ,
 r2     =  5.686   , r3     =  6.949  , r4    =  7.581 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.396 ,
 r2     =  2.696   , r3     =  3.295  , r4    =  3.594 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.678 ,
 r2     =  3.013   , r3     =  3.682  , r4    =  4.017 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.300 ,
 r2     =  4.838   , r3     =  5.913  , r4    =  6.451 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.000   , r3     =  3.900  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.968 ,
 r2     =  2.214   , r3     =  2.707  , r4    =  2.953 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.700 ,
 r2     =  5.000   , r3     =  6.000  , r4    =  6.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.436 ,
 r2     =  3.866   , r3     =  4.725  , r4    =  5.155 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.301 ,
 r2     =  4.839   , r3     =  5.914  , r4    =  6.452 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.036 ,
 r2     =  5.665   , r3     =  6.924  , r4    =  7.554 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.502 ,
 r2     =  2.814   , r3     =  3.440  , r4    =  3.752 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.853 ,
 r2     =  3.210   , r3     =  3.923  , r4    =  4.279 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   11     , iat(2) =   11    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =    1     , iat(2) =    22   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'N3  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    2     , iat(2) =    21   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'N3  ' , atnam(2) = 'H1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    20   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'N1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'N1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    5     , iat(2) =    18   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'N3  ' , atnam(2) = 'H1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    6     , iat(2) =    17   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'N1  ' , atnam(2) = 'H1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'N3  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'N1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    9     , iat(2) =    14   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'N3  ' , atnam(2) = 'H1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'N3  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    11    , iat(2) =    12   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'N1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.672   , r3     =  2.128  , r4    =  2.356 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 &rst
 iat(1) =    21    , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H3  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.600  , r4    =  4.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H3  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.600  , r4    =  4.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    18   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.600  , r4    =  4.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.600  , r4    =  4.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    14   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.600  , r4    =  4.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    14   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H1  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.600  , r4    =  4.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.600  , r4    =  5.900 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  2.800  , r4    =  3.100 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H61 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H62 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  3.800   , r3     =  5.200  , r4    =  5.600 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    20   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H61 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H62 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    20   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  2.800  , r4    =  3.100 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    20   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H61 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    20   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3  ' , atnam(2) = 'H62 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    17    , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end


 &rst
 iat(1) =    18    , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    18    , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    18    , iat(2) =    6    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    18    , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    18    , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  2.800  , r4    =  3.100 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H61 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  2.800  , r4    =  3.100 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H61 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H62 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    12   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end


 &rst
 iat(1) =    10    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H42 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  2.800  , r4    =  3.100 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H41 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    20   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H2  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    20   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H61 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    20   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H62 ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.444 ,
 r2     =  1.800   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end


 &rst
 iat(1) =    14    , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'C7  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  7.000  , r4    =  7.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    18    , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'C7  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  7.000  , r4    =  7.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1  ' , atnam(2) = 'C7  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  7.000  , r4    =  7.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    12    , iat(2) =    12   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H1''' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.000   , r3     =  5.000  , r4    =  5.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    12    , iat(2) =    12   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4''' , atnam(2) = 'H1''' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.000   , r3     =  5.000  , r4    =  5.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    1     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''2' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.500 ,
 r2     =  4.000   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''2' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.500 ,
 r2     =  4.000   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''2' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.500 ,
 r2     =  4.000   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    13    , iat(2) =    14   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''2' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.500 ,
 r2     =  4.000   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''2' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.500 ,
 r2     =  4.000   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    20    , iat(2) =    21   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''2' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.500 ,
 r2     =  4.000   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    22   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''2' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.500 ,
 r2     =  4.000   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    1     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''1' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''1' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''1' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''1' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    13    , iat(2) =    14   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''1' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    20    , iat(2) =    21   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''1' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    22   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H2''1' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4''' , atnam(2) = 'C7  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.500 ,
 r2     =  6.000   , r3     =  7.000  , r4    =  7.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4''' , atnam(2) = 'C7  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.500 ,
 r2     =  6.000   , r3     =  7.000  , r4    =  7.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    11   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4''' , atnam(2) = 'C7  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.500 ,
 r2     =  6.000   , r3     =  7.000  , r4    =  7.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    2     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2' , atnam(2) = 'H5  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.500 ,
 r2     =  4.500   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    13    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2' , atnam(2) = 'H5  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.500 ,
 r2     =  4.500   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    22    , iat(2) =    22   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2' , atnam(2) = 'H5  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.500 ,
 r2     =  4.500   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    22    , iat(2) =    22   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''1' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.100 ,
 r2     =  2.500   , r3     =  2.900  , r4    =  3.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5''2' , atnam(2) = 'H6  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.000 ,
 r2     =  4.300   , r3     =  5.300  , r4    =  5.600 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    9    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2' , atnam(2) = 'H2''1' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.400   , r3     =  3.900  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    9     , iat(2) =    10   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H4''' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.000  , r4    =  5.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H4''' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.800 ,
 r2     =  5.000   , r3     =  6.000  , r4    =  6.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    22    , iat(2) =    21   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H4''' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.800 ,
 r2     =  5.000   , r3     =  6.000  , r4    =  6.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H4''' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.800 ,
 r2     =  5.000   , r3     =  6.000  , r4    =  6.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H4''' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    4    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''2' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.000 ,
 r2     =  5.300   , r3     =  6.300  , r4    =  6.700 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    5    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H5   ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  6.500  , r4    =  6.900 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    22    , iat(2) =    22   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3''' , atnam(2) = 'H5   ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.500 ,
 r2     =  5.000   , r3     =  7.000  , r4    =  7.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    10    , iat(2) =    11   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H2''2', atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.500 ,
 r2     =  3.700   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    2    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6   ', atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.800 ,
 r2     =  4.100   , r3     =  5.100  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    16    , iat(2) =    17   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    1     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H8  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.200 ,
 r2     =  3.400   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    19    , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5''2' , atnam(2) = 'H8  ',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    1     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.000 ,
 r2     =  4.500   , r3     =  6.000  , r4    =  6.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    21    , iat(2) =    22   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.600 ,
 r2     =  1.800   , r3     =  2.500  , r4    =  2.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    16    , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.700 ,
 r2     =  3.000   , r3     =  4.000  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    16    , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    18    , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.700 ,
 r2     =  1.800   , r3     =  2.300  , r4    =  2.500 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    18    , iat(2) =    18   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H5''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.000 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  6.000 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    3     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.800 ,
 r2     =  3.100   , r3     =  3.900  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    15    , iat(2) =    15   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.800 ,
 r2     =  3.100   , r3     =  3.900  , r4    =  4.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    11    , iat(2) =    11   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.700 ,
 r2     =  4.000   , r3     =  5.000  , r4    =  5.400 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    8     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.100 ,
 r2     =  4.400   , r3     =  5.300  , r4    =  5.700 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    2     , iat(2) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.400   , r3     =  4.200  , r4    =  4.600 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    13    , iat(2) =    13   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.000 ,
 r2     =  4.300   , r3     =  5.400  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    16    , iat(2) =    17   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H1''' , atnam(2) = 'H5''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.100   , r3     =  5.500  , r4    =  5.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    14    , iat(2) =    14   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.900 ,
 r2     =  3.100   , r3     =  3.900  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    16    , iat(2) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H3''' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.000 ,
 r2     =  2.200   , r3     =  2.400  , r4    =  2.600 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    7     , iat(2) =    7    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.200 ,
 r2     =  4.500   , r3     =  5.500  , r4    =  5.900 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    18    , iat(2) =    17   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.500 ,
 r2     =  5.000   , r3     =  8.500  , r4    =  8.900 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    20    , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  1.900   , r3     =  2.500  , r4    =  2.800 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    20    , iat(2) =    19   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.000   , r3     =  3.000  , r4    =  3.300 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    4     , iat(2) =    3    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.000 ,
 r2     =  3.300   , r3     =  3.800  , r4    =  4.200 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst
 iat(1) =    9     , iat(2) =    8    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H5  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.300 ,
 r2     =  2.600   , r3     =  3.300  , r4    =  3.600 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end



 &rst 
 iat(1) =   1 , iat(2) =   1 , iat(3) =   1 , iat(4) =   1 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   1 , iat(2) =   1 , iat(3) =   1 , iat(4) =   1 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   1 , iat(2) =   1 , iat(3) =   1 , iat(4) =   2 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   1 , iat(2) =   1 , iat(3) =   2 , iat(4) =   2 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   1 , iat(2) =   2 , iat(3) =   2 , iat(4) =   2 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   2 , iat(2) =   2 , iat(3) =   2 , iat(4) =   2 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   2 , iat(2) =   2 , iat(3) =   2 , iat(4) =   2 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   2 , iat(2) =   2 , iat(3) =   2 , iat(4) =   2 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   2 , iat(2) =   2 , iat(3) =   2 , iat(4) =   3 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   2 , iat(2) =   2 , iat(3) =   3 , iat(4) =   3 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   2 , iat(2) =   3 , iat(3) =   3 , iat(4) =   3 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   3 , iat(2) =   3 , iat(3) =   3 , iat(4) =   3 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   3 , iat(2) =   3 , iat(3) =   3 , iat(4) =   3 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   3 , iat(2) =   3 , iat(3) =   3 , iat(4) =   3 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   3 , iat(2) =   3 , iat(3) =   3 , iat(4) =   4 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   3 , iat(2) =   3 , iat(3) =   4 , iat(4) =   4 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   3 , iat(2) =   4 , iat(3) =   4 , iat(4) =   4 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   4 , iat(2) =   4 , iat(3) =   4 , iat(4) =   4 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   4 , iat(2) =   4 , iat(3) =   4 , iat(4) =   4 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   4 , iat(2) =   4 , iat(3) =   4 , iat(4) =   4 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   4 , iat(2) =   4 , iat(3) =   4 , iat(4) =   5 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   4 , iat(2) =   4 , iat(3) =   5 , iat(4) =   5 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   4 , iat(2) =   5 , iat(3) =   5 , iat(4) =   5 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   5 , iat(2) =   5 , iat(3) =   5 , iat(4) =   5 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   5 , iat(2) =   5 , iat(3) =   5 , iat(4) =   5 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   5 , iat(2) =   5 , iat(3) =   5 , iat(4) =   5 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   5 , iat(2) =   5 , iat(3) =   5 , iat(4) =   6 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   5 , iat(2) =   5 , iat(3) =   6 , iat(4) =   6 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   5 , iat(2) =   6 , iat(3) =   6 , iat(4) =   6 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   6 , iat(2) =   6 , iat(3) =   6 , iat(4) =   6 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   6 , iat(2) =   6 , iat(3) =   6 , iat(4) =   6 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   6 , iat(2) =   6 , iat(3) =   6 , iat(4) =   6 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   6 , iat(2) =   6 , iat(3) =   6 , iat(4) =   7 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   6 , iat(2) =   6 , iat(3) =   7 , iat(4) =   7 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   6 , iat(2) =   7 , iat(3) =   7 , iat(4) =   7 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   7 , iat(2) =   7 , iat(3) =   7 , iat(4) =   7 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   7 , iat(2) =   7 , iat(3) =   7 , iat(4) =   7 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   7 , iat(2) =   7 , iat(3) =   7 , iat(4) =   7 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   7 , iat(2) =   7 , iat(3) =   7 , iat(4) =   8 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   7 , iat(2) =   7 , iat(3) =   8 , iat(4) =   8 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   7 , iat(2) =   8 , iat(3) =   8 , iat(4) =   8 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   8 , iat(2) =   8 , iat(3) =   8 , iat(4) =   8 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   8 , iat(2) =   8 , iat(3) =   8 , iat(4) =   8 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   8 , iat(2) =   8 , iat(3) =   8 , iat(4) =   8 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   8 , iat(2) =   8 , iat(3) =   8 , iat(4) =   9 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   8 , iat(2) =   8 , iat(3) =   9 , iat(4) =   9 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   8 , iat(2) =   9 , iat(3) =   9 , iat(4) =   9 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   9 , iat(2) =   9 , iat(3) =   9 , iat(4) =   9 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   9 , iat(2) =   9 , iat(3) =   9 , iat(4) =   9 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   9 , iat(2) =   9 , iat(3) =   9 , iat(4) =   9 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   9 , iat(2) =   9 , iat(3) =   9 , iat(4) =   10 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   9 , iat(2) =   9 , iat(3) =   10 , iat(4) =   10 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   9 , iat(2) =   10 , iat(3) =   10 , iat(4) =   10 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   10 , iat(2) =   10 , iat(3) =   10 , iat(4) =   10 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   10 , iat(2) =   10 , iat(3) =   10 , iat(4) =   10 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   10 , iat(2) =   10 , iat(3) =   10 , iat(4) =   10 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   10 , iat(2) =   10 , iat(3) =   10 , iat(4) =   11 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   10 , iat(2) =   10 , iat(3) =   11 , iat(4) =   11 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -86.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   10 , iat(2) =   11 , iat(3) =   11 , iat(4) =   11 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -31.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   11 , iat(2) =   11 , iat(3) =   11 , iat(4) =   11 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   11 , iat(2) =   11 , iat(3) =   11 , iat(4) =   11 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   11 , iat(2) =   11 , iat(3) =   11 , iat(4) =   11 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 



 &rst 
 iat(1) =   12 , iat(2) =   12 , iat(3) =   12 , iat(4) =   12 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   12 , iat(2) =   12 , iat(3) =   12 , iat(4) =   12 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   12 , iat(2) =   12 , iat(3) =   12 , iat(4) =   13 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   12 , iat(2) =   12 , iat(3) =   13 , iat(4) =   13 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   12 , iat(2) =   13 , iat(3) =   13 , iat(4) =   13 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   13 , iat(2) =   13 , iat(3) =   13 , iat(4) =   13 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   13 , iat(2) =   13 , iat(3) =   13 , iat(4) =   13 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   13 , iat(2) =   13 , iat(3) =   13 , iat(4) =   13 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   13 , iat(2) =   13 , iat(3) =   13 , iat(4) =   14 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   13 , iat(2) =   13 , iat(3) =   14 , iat(4) =   14 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   13 , iat(2) =   14 , iat(3) =   14 , iat(4) =   14 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   14 , iat(2) =   14 , iat(3) =   14 , iat(4) =   14 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   14 , iat(2) =   14 , iat(3) =   14 , iat(4) =   14 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   14 , iat(2) =   14 , iat(3) =   14 , iat(4) =   14 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   14 , iat(2) =   14 , iat(3) =   14 , iat(4) =   15 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   14 , iat(2) =   14 , iat(3) =   15 , iat(4) =   15 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   14 , iat(2) =   15 , iat(3) =   15 , iat(4) =   15 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   15 , iat(2) =   15 , iat(3) =   15 , iat(4) =   15 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   15 , iat(2) =   15 , iat(3) =   15 , iat(4) =   15 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   15 , iat(2) =   15 , iat(3) =   15 , iat(4) =   15 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   15 , iat(2) =   15 , iat(3) =   15 , iat(4) =   16 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   15 , iat(2) =   15 , iat(3) =   16 , iat(4) =   16 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   15 , iat(2) =   16 , iat(3) =   16 , iat(4) =   16 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   16 , iat(2) =   16 , iat(3) =   16 , iat(4) =   16 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   16 , iat(2) =   16 , iat(3) =   16 , iat(4) =   16 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   16 , iat(2) =   16 , iat(3) =   16 , iat(4) =   16 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   16 , iat(2) =   16 , iat(3) =   16 , iat(4) =   17 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   16 , iat(2) =   16 , iat(3) =   17 , iat(4) =   17 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   16 , iat(2) =   17 , iat(3) =   17 , iat(4) =   17 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   17 , iat(2) =   17 , iat(3) =   17 , iat(4) =   17 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   17 , iat(2) =   17 , iat(3) =   17 , iat(4) =   17 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   17 , iat(2) =   17 , iat(3) =   17 , iat(4) =   17 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   17 , iat(2) =   17 , iat(3) =   17 , iat(4) =   18 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   17 , iat(2) =   17 , iat(3) =   18 , iat(4) =   18 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   17 , iat(2) =   18 , iat(3) =   18 , iat(4) =   18 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   18 , iat(2) =   18 , iat(3) =   18 , iat(4) =   18 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   18 , iat(2) =   18 , iat(3) =   18 , iat(4) =   18 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   18 , iat(2) =   18 , iat(3) =   18 , iat(4) =   18 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   18 , iat(2) =   18 , iat(3) =   18 , iat(4) =   19 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   18 , iat(2) =   18 , iat(3) =   19 , iat(4) =   19 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   18 , iat(2) =   19 , iat(3) =   19 , iat(4) =   19 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   19 , iat(2) =   19 , iat(3) =   19 , iat(4) =   19 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   19 , iat(2) =   19 , iat(3) =   19 , iat(4) =   19 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   19 , iat(2) =   19 , iat(3) =   19 , iat(4) =   19 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   19 , iat(2) =   19 , iat(3) =   19 , iat(4) =   20 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   19 , iat(2) =   19 , iat(3) =   20 , iat(4) =   20 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   19 , iat(2) =   20 , iat(3) =   20 , iat(4) =   20 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   20 , iat(2) =   20 , iat(3) =   20 , iat(4) =   20 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   20 , iat(2) =   20 , iat(3) =   20 , iat(4) =   20 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   20 , iat(2) =   20 , iat(3) =   20 , iat(4) =   20 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   20 , iat(2) =   20 , iat(3) =   20 , iat(4) =   21 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   20 , iat(2) =   20 , iat(3) =   21 , iat(4) =   21 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   20 , iat(2) =   21 , iat(3) =   21 , iat(4) =   21 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   21 , iat(2) =   21 , iat(3) =   21 , iat(4) =   21 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   21 , iat(2) =   21 , iat(3) =   21 , iat(4) =   21 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   21 , iat(2) =   21 , iat(3) =   21 , iat(4) =   21 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   21 , iat(2) =   21 , iat(3) =   21 , iat(4) =   22 , 
 atnam(1) = 'C4''' , atnam(2) = 'C3''', atnam(3) = 'O3'''  , 
 atnam(4) = 'P   ' , iresid = 1, 
 r1  =  145.0 , r2  =  150.0 , r3  =  160.0 , r4  =  165.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   21 , iat(2) =   21 , iat(3) =   22 , iat(4) =   22 , 
 atnam(1) = 'C3''' , atnam(2) = 'O3''', atnam(3) = 'P   '  , 
 atnam(4) = 'O5''' , iresid = 1, 
 r1  = -106.0 , r2  = -101.0 , r3  =  -91.0 , r4  =  -68.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


 &rst 
 iat(1) =   21 , iat(2) =   22 , iat(3) =   22 , iat(4) =   22 , 
 atnam(1) = 'O3''' , atnam(2) = 'P   ', atnam(3) = 'O5'''  , 
 atnam(4) = 'C5''' , iresid = 1, 
 r1  =  -56.0 , r2  =  -51.0 , r3  =  -41.0 , r4  =  -36.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   22 , iat(2) =   22 , iat(3) =   22 , iat(4) =   22 , 
 atnam(1) = 'P   ' , atnam(2) = 'O5''', atnam(3) = 'C5'''  , 
 atnam(4) = 'C4''' , iresid = 1, 
 r1  = -157.0 , r2  = -152.0 , r3  = -142.0 , r4  = -137.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 

 &rst 
 iat(1) =   22 , iat(2) =   22 , iat(3) =   22 , iat(4) =   22 , 
 atnam(1) = 'O5''' , atnam(2) = 'C5''', atnam(3) = 'C4'''  , 
 atnam(4) = 'C3''' , iresid = 1, 
 r1  =   26.0 , r2  =   31.0 , r3  =   41.0 , r4  =   46.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 
 &rst 
 iat(1) =   22 , iat(2) =   22 , iat(3) =   22 , iat(4) =   22 , 
 atnam(1) = 'C5''' , atnam(2) = 'C4''', atnam(3) = 'C3'''  , 
 atnam(4) = 'O3''' , iresid = 1, 
 r1  =  147.0 , r2  =  152.0 , r3  =  162.0 , r4  =  167.0 , 
 rk2 =  500.0 , rk3 =  500.0 
 &end 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  15.800  -7.268   9.252
    2   2H5*    G   1          2H5*        G   1  17.489  -7.001   8.965
    3    H4*    G   1           H4*        G   1  16.474  -5.922   7.125
    4    H3*    G   1           H3*        G   1  17.822  -4.074   8.547
    5    H1*    G   1           H1*        G   1  14.068  -3.335   7.842
    6    H8     G   1           H8         G   1  14.836  -4.330  11.427
    7    H1     G   1           H1         G   1   8.594  -3.486  10.098
    8   1H2     G   1          1H2         G   1   8.367  -3.423   7.988
    9   2H2     G   1          2H2         G   1   9.732  -3.463   6.873
   10    H5T    G   1           H5T        G   1  16.998  -6.480  11.053
   11   1H2*    G   1          1H2*        G   1  16.108  -3.505  10.064
   12   2H2*    G   1          2H2*        G   1  15.837  -2.231   8.884
   13   1H5*    C   2          1H5*        C   2  14.197  -3.367   5.804
   14   2H5*    C   2          2H5*        C   2  15.120  -2.763   4.468
   15    H4*    C   2           H4*        C   2  12.972  -2.217   3.930
   16    H3*    C   2           H3*        C   2  14.490   0.064   4.135
   17    H1*    C   2           H1*        C   2  11.180  -0.004   6.025
   18   1H4     C   2          1H4         C   2  12.516  -0.199  12.490
   19   2H4     C   2          2H4         C   2  10.770  -0.146  12.206
   20    H5     C   2           H5         C   2  14.053  -0.575  10.563
   21    H6     C   2           H6         C   2  14.146  -0.793   8.171
   22   1H2*    C   2          1H2*        C   2  14.144   0.363   6.451
   23   2H2*    C   2          2H2*        C   2  12.955   1.495   5.808
   24   1H5*    T   3          1H5*        T   3   9.712   0.250   4.489
   25   2H5*    T   3          2H5*        T   3   9.442   0.870   2.851
   26    H4*    T   3           H4*        T   3   7.441   1.304   4.033
   27    H3*    T   3           H3*        T   3   8.730   3.517   3.107
   28   1H2*    T   3          1H2*        T   3   9.901   3.993   5.108
   29   2H2*    T   3          2H2*        T   3   8.463   4.969   5.459
   30    H1*    T   3           H1*        T   3   7.413   3.244   6.707
   31    H3     T   3           H3         T   3   9.142   2.740  10.846
   32   1H5M    T   3          1H5M        T   3  13.479   2.131   8.898
   33   2H5M    T   3          2H5M        T   3  13.303   2.976   7.346
   34   3H5M    T   3          3H5M        T   3  13.374   3.892   8.860
   35    H6     T   3           H6         T   3  11.144   2.944   6.470
   36   1H5*    T   4          1H5*        T   4   5.477   3.156   6.250
   37   2H5*    T   4          2H5*        T   4   4.205   3.569   5.116
   38    H4*    T   4           H4*        T   4   3.186   3.564   7.161
   39    H3*    T   4           H3*        T   4   3.071   6.038   5.961
   40   1H2*    T   4          1H2*        T   4   5.035   6.900   6.841
   41   2H2*    T   4          2H2*        T   4   3.932   7.547   8.072
   42    H1*    T   4           H1*        T   4   4.284   5.835   9.566
   43    H3     T   4           H3         T   4   8.197   5.896  11.682
   44   1H5M    T   4          1H5M        T   4  10.470   6.168   7.372
   45   2H5M    T   4          2H5M        T   4   9.202   6.938   6.392
   46   3H5M    T   4          3H5M        T   4   9.994   7.842   7.681
   47    H6     T   4           H6         T   4   7.011   6.346   7.037
   48   1H5*    C   5          1H5*        C   5   2.572   5.594  10.795
   49   2H5*    C   5          2H5*        C   5   0.838   5.458  10.536
   50    H4*    C   5           H4*        C   5   0.867   5.839  12.763
   51    H3*    C   5           H3*        C   5  -0.223   7.951  11.443
   52    H1*    C   5           H1*        C   5   2.789   8.682  13.887
   53   1H4     C   5          1H4         C   5   7.969   9.608   9.902
   54   2H4     C   5          2H4         C   5   8.645   9.203  11.463
   55    H5     C   5           H5         C   5   5.725   9.339   9.350
   56    H6     C   5           H6         C   5   3.515   8.848  10.160
   57   1H2*    C   5          1H2*        C   5   1.683   9.256  11.139
   58   2H2*    C   5          2H2*        C   5   1.238   9.927  12.703
   59   1H5*    A   6          1H5*        A   6   1.415   8.659  15.652
   60   2H5*    A   6          2H5*        A   6  -0.148   8.560  16.435
   61    H4*    A   6           H4*        A   6   1.182   9.484  18.049
   62    H3*    A   6           H3*        A   6  -0.866  11.117  17.464
   63    H1*    A   6           H1*        A   6   2.669  12.685  17.216
   64    H8     A   6           H8         A   6   1.439  12.757  13.758
   65   1H6     A   6          H61         A   6   7.559  12.538  12.243
   66   2H6     A   6          H62         A   6   5.964  12.674  11.565
   67    H2     A   6           H2         A   6   7.124  11.740  16.514
   68   1H2*    A   6          1H2*        A   6   0.189  12.234  15.575
   69   2H2*    A   6          2H2*        A   6   0.551  13.427  16.816
   70   1H5*    G   7          1H5*        G   7   3.123  12.140  19.053
   71   2H5*    G   7          2H5*        G   7   2.438  12.242  20.667
   72    H4*    G   7           H4*        G   7   4.498  12.888  21.151
   73    H3*    G   7           H3*        G   7   2.750  14.940  21.317
   74    H1*    G   7           H1*        G   7   5.974  15.458  19.041
   75    H8     G   7           H8         G   7   2.621  15.192  17.185
   76    H1     G   7           H1         G   7   7.973  15.871  13.622
   77   1H2     G   7          1H2         G   7   9.733  15.439  14.873
   78   2H2     G   7          2H2         G   7   9.528  15.178  16.600
   79   1H2*    G   7          1H2*        G   7   3.013  15.863  19.192
   80   2H2*    G   7          2H2*        G   7   4.344  16.769  19.933
   81   1H5*    T   8          1H5*        T   8   7.105  15.496  20.631
   82   2H5*    T   8          2H5*        T   8   7.457  15.538  22.323
   83    H4*    T   8           H4*        T   8   9.413  16.277  21.459
   84    H3*    T   8           H3*        T   8   8.209  18.456  22.632
   85   1H2*    T   8          1H2*        T   8   7.217  19.481  20.769
   86   2H2*    T   8          2H2*        T   8   8.801  20.192  20.535
   87    H1*    T   8           H1*        T   8   9.463  18.666  18.933
   88    H3     T   8           H3         T   8   7.305  19.050  15.122
   89   1H5M    T   8          1H5M        T   8   3.241  19.608  17.552
   90   2H5M    T   8          2H5M        T   8   3.139  17.854  17.780
   91   3H5M    T   8          3H5M        T   8   3.638  18.900  19.121
   92    H6     T   8           H6         T   8   5.768  18.406  19.634
   93   1H5*    C   9          1H5*        C   9  11.660  18.802  19.498
   94   2H5*    C   9          2H5*        C   9  12.972  19.117  20.641
   95    H4*    C   9           H4*        C   9  13.888  19.717  18.638
   96    H3*    C   9           H3*        C   9  13.704  21.841  20.360
   97    H1*    C   9           H1*        C   9  12.209  22.221  16.820
   98   1H4     C   9          1H4         C   9   5.704  22.399  17.045
   99   2H4     C   9          2H4         C   9   6.240  22.609  15.396
  100    H5     C   9           H5         C   9   7.193  21.790  18.858
  101    H6     C   9           H6         C   9   9.618  21.774  19.441
  102   1H2*    C   9          1H2*        C   9  11.629  22.595  19.760
  103   2H2*    C   9          2H2*        C   9  12.508  23.603  18.611
  104   1H5*    G  10          1H5*        G  10  14.160  22.376  15.880
  105   2H5*    G  10          2H5*        G  10  15.865  22.733  16.007
  106    H4*    G  10           H4*        G  10  15.445  23.403  13.882
  107    H3*    G  10           H3*        G  10  16.204  25.422  15.549
  108    H1*    G  10           H1*        G  10  12.837  25.975  13.500
  109    H8     G  10           H8         G  10  12.337  25.127  17.230
  110    H1     G  10           H1         G  10   7.026  25.579  13.572
  111   1H2     G  10          1H2         G  10   7.619  26.287  11.607
  112   2H2     G  10          2H2         G  10   9.313  26.357  11.126
  113   1H2*    G  10          1H2*        G  10  14.105  26.197  16.204
  114   2H2*    G  10          2H2*        G  10  14.289  27.246  14.801
  115   1H5*    T  11          1H5*        T  11  14.069  25.840  11.724
  116   2H5*    T  11          2H5*        T  11  15.511  26.254  10.753
  117    H4*    T  11           H4*        T  11  13.853  26.736   9.285
  118    H3*    T  11           H3*        T  11  15.298  28.811  10.202
  119   1H2*    T  11          1H2*        T  11  13.822  29.768  11.827
  120   2H2*    T  11          2H2*        T  11  13.170  30.517  10.338
  121    H1*    T  11           H1*        T  11  11.479  29.052  10.099
  122    H3     T  11           H3         T  11   8.320  29.526  13.069
  123   1H5M    T  11          1H5M        T  11  11.569  29.665  16.505
  124   2H5M    T  11          2H5M        T  11  11.689  27.905  16.414
  125   3H5M    T  11          3H5M        T  11  12.998  28.940  15.761
  126    H6     T  11           H6         T  11  13.013  28.497  13.464
  127    H3T    T  11           H3T        T  11  14.357  28.531   8.063
  128   1H5*    A  12          1H5*        A  12  -0.445  31.176  14.636
  129   2H5*    A  12          2H5*        A  12  -2.160  30.831  14.564
  130    H4*    A  12           H4*        A  12  -1.370  30.454  12.386
  131    H3*    A  12           H3*        A  12  -2.340  28.108  13.507
  132    H1*    A  12           H1*        A  12   1.305  28.108  12.036
  133    H8     A  12           H8         A  12   1.047  28.243  15.935
  134   1H6     A  12          H61         A  12   7.256  28.360  15.488
  135   2H6     A  12          H62         A  12   5.916  28.111  16.635
  136    H2     A  12           H2         A  12   5.684  28.699  11.513
  137    H5T    A  12           H5T        A  12  -0.575  29.916  16.236
  138   1H2*    A  12          1H2*        A  12  -0.343  27.395  14.448
  139   2H2*    A  12          2H2*        A  12  -0.187  26.540  12.909
  140   1H5*    C  13          1H5*        C  13   0.715  28.701  10.181
  141   2H5*    C  13          2H5*        C  13  -0.388  28.470   8.885
  142    H4*    C  13           H4*        C  13   1.628  28.144   7.829
  143    H3*    C  13           H3*        C  13   0.255  25.814   7.864
  144    H1*    C  13           H1*        C  13   3.935  25.796   8.995
  145   1H4     C  13          1H4         C  13   3.943  24.936  15.562
  146   2H4     C  13          2H4         C  13   5.598  25.255  15.104
  147    H5     C  13           H5         C  13   2.132  25.030  14.036
  148    H6     C  13           H6         C  13   1.501  25.662  11.758
  149   1H2*    C  13          1H2*        C  13   1.130  24.988   9.887
  150   2H2*    C  13          2H2*        C  13   2.183  24.155   8.760
  151   1H5*    G  14          1H5*        G  14   4.921  25.722   7.032
  152   2H5*    G  14          2H5*        G  14   4.702  25.546   5.289
  153    H4*    G  14           H4*        G  14   6.939  24.959   5.568
  154    H3*    G  14           H3*        G  14   5.413  22.817   4.818
  155    H1*    G  14           H1*        G  14   7.662  22.501   8.135
  156    H8     G  14           H8         G  14   3.909  22.886   8.397
  157    H1     G  14           H1         G  14   7.139  22.579  13.986
  158   1H2     G  14          1H2         G  14   9.288  22.379  13.515
  159   2H2     G  14          2H2         G  14   9.844  22.738  11.899
  160   1H2*    G  14          1H2*        G  14   4.994  21.883   6.852
  161   2H2*    G  14          2H2*        G  14   6.555  21.069   6.664
  162   1H5*    A  15          1H5*        A  15   9.259  22.713   6.874
  163   2H5*    A  15          2H5*        A  15  10.289  22.622   5.460
  164    H4*    A  15           H4*        A  15  11.797  22.329   7.182
  165    H3*    A  15           H3*        A  15  11.524  19.986   5.717
  166    H1*    A  15           H1*        A  15  11.440  19.968   9.549
  167    H8     A  15           H8         A  15   8.049  19.914   7.818
  168   1H6     A  15          H61         A  15   5.780  18.755  13.552
  169   2H6     A  15          H62         A  15   5.265  18.996  11.903
  170    H2     A  15           H2         A  15  10.095  19.249  13.856
  171   1H2*    A  15          1H2*        A  15   9.865  19.075   7.052
  172   2H2*    A  15          2H2*        A  15  11.235  18.273   7.811
  173   1H5*    C  16          1H5*        C  16  13.164  19.345  10.293
  174   2H5*    C  16          2H5*        C  16  14.812  19.505   9.680
  175    H4*    C  16           H4*        C  16  15.155  18.663  11.726
  176    H3*    C  16           H3*        C  16  15.875  16.765   9.869
  177    H1*    C  16           H1*        C  16  13.516  15.659  12.679
  178   1H4     C  16          1H4         C  16   7.468  16.217  10.162
  179   2H4     C  16          2H4         C  16   7.224  15.558  11.769
  180    H5     C  16           H5         C  16   9.523  16.630   9.121
  181    H6     C  16           H6         C  16  11.882  16.673   9.436
  182   1H2*    C  16          1H2*        C  16  13.809  15.760   9.679
  183   2H2*    C  16          2H2*        C  16  14.491  14.652  10.891
  184   1H5*    G  17          1H5*        G  17  15.258  15.320  14.497
  185   2H5*    G  17          2H5*        G  17  17.017  15.229  14.636
  186    H4*    G  17           H4*        G  17  16.124  14.124  16.537
  187    H3*    G  17           H3*        G  17  17.853  12.665  15.075
  188    H1*    G  17           H1*        G  17  14.251  11.118  15.589
  189    H8     G  17           H8         G  17  14.755  12.264  11.975
  190    H1     G  17           H1         G  17   8.651  12.528  14.037
  191   1H2     G  17          1H2         G  17   8.650  12.443  16.235
  192   2H2     G  17          2H2         G  17  10.022  11.673  17.020
  193   1H2*    G  17          1H2*        G  17  16.297  11.854  13.522
  194   2H2*    G  17          2H2*        G  17  16.250  10.461  14.596
  195   1H5*    G  18          1H5*        G  18  14.571  11.353  17.689
  196   2H5*    G  18          2H5*        G  18  15.467  11.138  19.160
  197    H4*    G  18           H4*        G  18  13.462  10.287  19.820
  198    H3*    G  18           H3*        G  18  15.226   8.252  19.633
  199    H1*    G  18           H1*        G  18  11.742   7.961  17.951
  200    H8     G  18           H8         G  18  14.466   8.641  15.244
  201    H1     G  18           H1         G  18   8.306   8.877  13.302
  202   1H2     G  18          1H2         G  18   7.022   8.714  15.088
  203   2H2     G  18          2H2         G  18   7.807   8.738  16.684
  204   1H2*    G  18          1H2*        G  18  14.714   7.825  17.335
  205   2H2*    G  18          2H2*        G  18  13.698   6.549  18.055
  206   1H5*    A  19          1H5*        A  19  10.527   7.721  20.001
  207   2H5*    A  19          2H5*        A  19  10.690   7.165  21.648
  208    H4*    A  19           H4*        A  19   8.545   6.631  21.210
  209    H3*    A  19           H3*        A  19   9.938   4.329  21.545
  210    H1*    A  19           H1*        A  19   7.928   4.661  18.147
  211    H8     A  19           H8         A  19  11.733   4.995  18.050
  212   1H6     A  19          H61         A  19  10.657   5.474  11.953
  213   2H6     A  19          H62         A  19  11.972   5.283  13.136
  214    H2     A  19           H2         A  19   6.862   5.769  13.916
  215   1H2*    A  19          1H2*        A  19  10.566   3.875  19.354
  216   2H2*    A  19          2H2*        A  19   9.028   3.016  19.264
  217   1H5*    A  20          1H5*        A  20   5.925   4.281  18.879
  218   2H5*    A  20          2H5*        A  20   4.864   3.866  20.200
  219    H4*    A  20           H4*        A  20   3.509   3.489  18.363
  220    H3*    A  20           H3*        A  20   4.071   1.018  19.454
  221    H1*    A  20           H1*        A  20   4.652   1.681  15.620
  222    H8     A  20           H8         A  20   7.734   1.369  17.944
  223   1H6     A  20          H61         A  20  10.891   2.320  12.650
  224   2H6     A  20          H62         A  20  11.118   1.953  14.372
  225    H2     A  20           H2         A  20   6.681   2.678  11.754
  226   1H2*    A  20          1H2*        A  20   5.854   0.485  18.126
  227   2H2*    A  20          2H2*        A  20   4.637  -0.155  17.000
  228   1H5*    G  21          1H5*        G  21   2.583   1.779  15.284
  229   2H5*    G  21          2H5*        G  21   0.924   1.344  15.567
  230    H4*    G  21           H4*        G  21   0.952   1.374  13.304
  231    H3*    G  21           H3*        G  21   0.451  -1.094  14.342
  232    H1*    G  21           H1*        G  21   3.336  -0.794  11.592
  233    H8     G  21           H8         G  21   4.467  -1.184  15.253
  234    H1     G  21           H1         G  21   9.054  -0.393  10.799
  235   1H2     G  21          1H2         G  21   8.024  -0.237   8.763
  236   2H2     G  21          2H2         G  21   6.258  -0.366   8.723
  237   1H2*    G  21          1H2*        G  21   2.658  -1.938  14.285
  238   2H2*    G  21          2H2*        G  21   2.126  -2.519  12.714
  239   1H5*    C  22          1H5*        C  22   1.984  -0.355  10.319
  240   2H5*    C  22          2H5*        C  22   0.465  -0.419   9.450
  241    H4*    C  22           H4*        C  22   1.971  -0.486   7.755
  242    H3*    C  22           H3*        C  22   0.607  -2.869   8.065
  243    H1*    C  22           H1*        C  22   4.504  -2.915   7.620
  244   1H4     C  22          1H4         C  22   6.647  -4.320  13.560
  245   2H4     C  22          2H4         C  22   7.992  -4.137  12.502
  246    H5     C  22           H5         C  22   4.425  -4.276  12.887
  247    H6     C  22           H6         C  22   3.055  -3.392  11.069
  248    H3T    C  22           H3T        C  22   1.282  -3.263   5.996
  249   1H2*    C  22          1H2*        C  22   2.235  -4.108   9.152
  250   2H2*    C  22          2H2*        C  22   2.789  -4.410   7.468
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  16.094  -6.764   9.608
    2   2H5*    G   1          2H5*        G   1  17.779  -6.452   9.187
    3    H4*    G   1           H4*        G   1  16.511  -5.537   7.438
    4    H3*    G   1           H3*        G   1  18.021  -3.647   8.708
    5    H1*    G   1           H1*        G   1  14.222  -2.922   8.253
    6    H8     G   1           H8         G   1  15.236  -3.757  11.828
    7    H1     G   1           H1         G   1   8.883  -3.725  10.823
    8   1H2     G   1          1H2         G   1   8.554  -3.495   8.553
    9   2H2     G   1          2H2         G   1   9.910  -3.053   7.524
   10    H5T    G   1           H5T        G   1  16.864  -6.002  11.447
   11   1H2*    G   1          1H2*        G   1  16.437  -2.955  10.296
   12   2H2*    G   1          2H2*        G   1  16.044  -1.768   9.052
   13   1H5*    C   2          1H5*        C   2  14.082  -3.095   6.292
   14   2H5*    C   2          2H5*        C   2  14.933  -2.831   4.796
   15    H4*    C   2           H4*        C   2  12.830  -2.148   4.183
   16    H3*    C   2           H3*        C   2  14.564  -0.067   4.260
   17    H1*    C   2           H1*        C   2  11.260   0.342   6.262
   18   1H4     C   2          1H4         C   2  12.643  -0.136  12.626
   19   2H4     C   2          2H4         C   2  10.897  -0.179  12.352
   20    H5     C   2           H5         C   2  14.155   0.033  10.732
   21    H6     C   2           H6         C   2  14.300  -0.162   8.321
   22   1H2*    C   2          1H2*        C   2  14.206   0.698   6.446
   23   2H2*    C   2          2H2*        C   2  12.935   1.667   5.704
   24   1H5*    T   3          1H5*        T   3  10.224  -0.002   4.655
   25   2H5*    T   3          2H5*        T   3   9.874   0.434   2.994
   26    H4*    T   3           H4*        T   3   7.858   0.757   3.990
   27    H3*    T   3           H3*        T   3   9.037   3.087   3.118
   28   1H2*    T   3          1H2*        T   3   9.986   3.745   5.102
   29   2H2*    T   3          2H2*        T   3   8.464   4.606   5.321
   30    H1*    T   3           H1*        T   3   7.508   2.952   6.669
   31    H3     T   3           H3         T   3   9.251   2.919  10.845
   32   1H5M    T   3          1H5M        T   3  13.621   2.573   8.899
   33   2H5M    T   3          2H5M        T   3  13.336   3.306   7.287
   34   3H5M    T   3          3H5M        T   3  13.299   4.294   8.764
   35    H6     T   3           H6         T   3  11.184   2.846   6.446
   36   1H5*    T   4          1H5*        T   4   5.549   2.839   6.015
   37   2H5*    T   4          2H5*        T   4   4.301   3.252   4.858
   38    H4*    T   4           H4*        T   4   3.222   3.355   6.912
   39    H3*    T   4           H3*        T   4   3.130   5.618   5.516
   40   1H2*    T   4          1H2*        T   4   5.110   6.610   6.389
   41   2H2*    T   4          2H2*        T   4   3.958   7.359   7.507
   42    H1*    T   4           H1*        T   4   4.310   5.802   9.198
   43    H3     T   4           H3         T   4   8.210   5.843  11.441
   44   1H5M    T   4          1H5M        T   4  10.580   5.993   7.318
   45   2H5M    T   4          2H5M        T   4   9.322   6.477   6.144
   46   3H5M    T   4          3H5M        T   4   9.962   7.655   7.293
   47    H6     T   4           H6         T   4   7.130   6.072   6.744
   48   1H5*    C   5          1H5*        C   5   2.523   5.607  10.054
   49   2H5*    C   5          2H5*        C   5   0.802   5.441   9.807
   50    H4*    C   5           H4*        C   5   0.735   5.854  12.024
   51    H3*    C   5           H3*        C   5  -0.229   8.011  10.831
   52    H1*    C   5           H1*        C   5   2.818   8.513  13.298
   53   1H4     C   5          1H4         C   5   8.176   9.179   9.490
   54   2H4     C   5          2H4         C   5   8.495   9.240  11.246
   55    H5     C   5           H5         C   5   5.736   9.044   8.772
   56    H6     C   5           H6         C   5   3.500   8.669   9.632
   57   1H2*    C   5          1H2*        C   5   1.756   9.244  10.568
   58   2H2*    C   5          2H2*        C   5   1.384   9.860  12.203
   59   1H5*    A   6          1H5*        A   6   1.535   8.600  15.299
   60   2H5*    A   6          2H5*        A   6  -0.071   8.265  15.905
   61    H4*    A   6           H4*        A   6   0.936   9.306  17.726
   62    H3*    A   6           H3*        A   6  -1.038  10.928  16.962
   63    H1*    A   6           H1*        A   6   2.543  12.465  16.968
   64    H8     A   6           H8         A   6   1.347  12.396  13.410
   65   1H6     A   6          H61         A   6   7.492  12.419  12.195
   66   2H6     A   6          H62         A   6   5.936  12.413  11.343
   67    H2     A   6           H2         A   6   6.965  12.113  16.411
   68   1H2*    A   6          1H2*        A   6   0.151  12.031  15.159
   69   2H2*    A   6          2H2*        A   6   0.434  13.250  16.382
   70   1H5*    G   7          1H5*        G   7   2.769  11.829  19.075
   71   2H5*    G   7          2H5*        G   7   2.063  12.145  20.633
   72    H4*    G   7           H4*        G   7   4.299  12.629  20.938
   73    H3*    G   7           H3*        G   7   2.652  14.688  21.513
   74    H1*    G   7           H1*        G   7   5.593  15.469  19.058
   75    H8     G   7           H8         G   7   2.282  15.042  17.211
   76    H1     G   7           H1         G   7   7.458  16.038  13.552
   77   1H2     G   7          1H2         G   7   9.274  15.877  14.841
   78   2H2     G   7          2H2         G   7   9.163  15.670  16.576
   79   1H2*    G   7          1H2*        G   7   2.604  15.683  19.378
   80   2H2*    G   7          2H2*        G   7   3.929  16.649  20.061
   81   1H5*    T   8          1H5*        T   8   7.006  15.314  20.481
   82   2H5*    T   8          2H5*        T   8   7.496  15.479  22.177
   83    H4*    T   8           H4*        T   8   9.391  16.052  21.072
   84    H3*    T   8           H3*        T   8   8.229  18.134  22.461
   85   1H2*    T   8          1H2*        T   8   7.149  19.184  20.742
   86   2H2*    T   8          2H2*        T   8   8.674  19.997  20.410
   87    H1*    T   8           H1*        T   8   9.362  18.518  18.736
   88    H3     T   8           H3         T   8   7.089  19.092  14.948
   89   1H5M    T   8          1H5M        T   8   2.933  19.280  17.438
   90   2H5M    T   8          2H5M        T   8   3.224  17.575  17.842
   91   3H5M    T   8          3H5M        T   8   3.467  18.829  19.046
   92    H6     T   8           H6         T   8   5.719  18.312  19.489
   93   1H5*    C   9          1H5*        C   9  11.257  18.805  19.366
   94   2H5*    C   9          2H5*        C   9  12.600  18.965  20.490
   95    H4*    C   9           H4*        C   9  13.563  19.617  18.614
   96    H3*    C   9           H3*        C   9  13.404  21.695  20.349
   97    H1*    C   9           H1*        C   9  12.058  22.276  16.702
   98   1H4     C   9          1H4         C   9   5.551  22.210  17.243
   99   2H4     C   9          2H4         C   9   5.950  22.467  15.549
  100    H5     C   9           H5         C   9   7.191  21.723  18.944
  101    H6     C   9           H6         C   9   9.561  21.643  19.378
  102   1H2*    C   9          1H2*        C   9  11.373  22.636  19.611
  103   2H2*    C   9          2H2*        C   9  12.421  23.570  18.552
  104   1H5*    G  10          1H5*        G  10  14.025  22.153  15.791
  105   2H5*    G  10          2H5*        G  10  15.768  22.139  15.917
  106    H4*    G  10           H4*        G  10  15.503  22.943  13.773
  107    H3*    G  10           H3*        G  10  16.475  25.045  15.300
  108    H1*    G  10           H1*        G  10  13.062  25.593  13.376
  109    H8     G  10           H8         G  10  12.761  25.235  17.274
  110    H1     G  10           H1         G  10   7.271  25.768  13.988
  111   1H2     G  10          1H2         G  10   7.715  26.041  11.877
  112   2H2     G  10          2H2         G  10   9.318  25.836  11.184
  113   1H2*    G  10          1H2*        G  10  14.484  25.992  15.961
  114   2H2*    G  10          2H2*        G  10  14.635  26.871  14.427
  115   1H5*    T  11          1H5*        T  11  14.220  25.326  11.500
  116   2H5*    T  11          2H5*        T  11  15.564  25.654  10.445
  117    H4*    T  11           H4*        T  11  13.742  26.369   9.142
  118    H3*    T  11           H3*        T  11  15.333  28.508   9.889
  119   1H2*    T  11          1H2*        T  11  14.008  29.217  11.749
  120   2H2*    T  11          2H2*        T  11  13.287  30.205  10.451
  121    H1*    T  11           H1*        T  11  11.572  28.630  10.008
  122    H3     T  11           H3         T  11   8.513  29.345  13.199
  123   1H5M    T  11          1H5M        T  11  12.021  28.105  16.508
  124   2H5M    T  11          2H5M        T  11  13.427  28.520  15.502
  125   3H5M    T  11          3H5M        T  11  12.432  29.797  16.166
  126    H6     T  11           H6         T  11  13.157  28.073  13.308
  127    H3T    T  11           H3T        T  11  14.290  28.402   7.854
  128   1H5*    A  12          1H5*        A  12   0.243  31.487  15.178
  129   2H5*    A  12          2H5*        A  12  -1.509  31.307  15.048
  130    H4*    A  12           H4*        A  12  -0.768  30.770  12.956
  131    H3*    A  12           H3*        A  12  -1.828  28.495  14.074
  132    H1*    A  12           H1*        A  12   1.819  28.358  12.766
  133    H8     A  12           H8         A  12   1.659  28.169  16.642
  134   1H6     A  12          H61         A  12   7.761  29.301  15.887
  135   2H6     A  12          H62         A  12   6.622  29.118  17.233
  136    H2     A  12           H2         A  12   6.130  28.975  12.082
  137    H5T    A  12           H5T        A  12  -0.568  30.459  16.892
  138   1H2*    A  12          1H2*        A  12   0.027  27.663  15.107
  139   2H2*    A  12          2H2*        A  12   0.346  26.835  13.571
  140   1H5*    C  13          1H5*        C  13   1.312  28.709  10.697
  141   2H5*    C  13          2H5*        C  13   0.081  28.669   9.434
  142    H4*    C  13           H4*        C  13   1.903  28.188   8.129
  143    H3*    C  13           H3*        C  13   0.364  25.986   8.439
  144    H1*    C  13           H1*        C  13   4.119  25.564   9.369
  145   1H4     C  13          1H4         C  13   4.411  24.792  15.631
  146   2H4     C  13          2H4         C  13   5.949  25.639  15.451
  147    H5     C  13           H5         C  13   2.684  24.899  14.371
  148    H6     C  13           H6         C  13   1.820  25.546  12.229
  149   1H2*    C  13          1H2*        C  13   1.356  25.119  10.366
  150   2H2*    C  13          2H2*        C  13   2.307  24.215   9.213
  151   1H5*    G  14          1H5*        G  14   4.785  25.873   7.376
  152   2H5*    G  14          2H5*        G  14   4.572  25.687   5.650
  153    H4*    G  14           H4*        G  14   6.782  25.240   5.870
  154    H3*    G  14           H3*        G  14   5.379  23.045   5.000
  155    H1*    G  14           H1*        G  14   7.632  22.504   8.231
  156    H8     G  14           H8         G  14   3.836  22.774   8.638
  157    H1     G  14           H1         G  14   7.288  22.258  14.054
  158   1H2     G  14          1H2         G  14   9.394  22.619  13.592
  159   2H2     G  14          2H2         G  14   9.939  22.531  11.937
  160   1H2*    G  14          1H2*        G  14   4.936  22.048   7.018
  161   2H2*    G  14          2H2*        G  14   6.478  21.222   6.783
  162   1H5*    A  15          1H5*        A  15   9.247  22.712   6.901
  163   2H5*    A  15          2H5*        A  15  10.196  22.421   5.466
  164    H4*    A  15           H4*        A  15  11.663  21.990   7.067
  165    H3*    A  15           H3*        A  15  11.050  19.704   5.702
  166    H1*    A  15           H1*        A  15  10.865  19.605   9.604
  167    H8     A  15           H8         A  15   7.537  19.868   7.779
  168   1H6     A  15          H61         A  15   5.363  18.884  13.573
  169   2H6     A  15          H62         A  15   4.794  19.309  11.950
  170    H2     A  15           H2         A  15   9.553  18.841  13.775
  171   1H2*    A  15          1H2*        A  15   9.339  18.840   7.111
  172   2H2*    A  15          2H2*        A  15  10.676  18.069   7.964
  173   1H5*    C  16          1H5*        C  16  12.688  19.049  10.007
  174   2H5*    C  16          2H5*        C  16  14.305  19.033   9.328
  175    H4*    C  16           H4*        C  16  14.814  18.288  11.313
  176    H3*    C  16           H3*        C  16  15.053  16.295   9.501
  177    H1*    C  16           H1*        C  16  12.784  15.511  12.763
  178   1H4     C  16          1H4         C  16   6.888  16.057   9.896
  179   2H4     C  16          2H4         C  16   6.636  15.786  11.616
  180    H5     C  16           H5         C  16   9.079  16.121   8.895
  181    H6     C  16           H6         C  16  11.424  16.197   9.365
  182   1H2*    C  16          1H2*        C  16  13.048  15.121   9.794
  183   2H2*    C  16          2H2*        C  16  13.889  14.295  11.045
  184   1H5*    G  17          1H5*        G  17  14.943  15.026  13.955
  185   2H5*    G  17          2H5*        G  17  16.703  15.180  14.056
  186    H4*    G  17           H4*        G  17  16.329  14.087  15.979
  187    H3*    G  17           H3*        G  17  17.644  12.332  14.517
  188    H1*    G  17           H1*        G  17  13.833  11.279  15.289
  189    H8     G  17           H8         G  17  14.508  11.882  11.680
  190    H1     G  17           H1         G  17   8.514  12.503  13.875
  191   1H2     G  17          1H2         G  17   8.539  12.294  15.892
  192   2H2     G  17          2H2         G  17  10.067  12.306  16.828
  193   1H2*    G  17          1H2*        G  17  15.974  11.426  13.206
  194   2H2*    G  17          2H2*        G  17  15.743  10.281  14.529
  195   1H5*    G  18          1H5*        G  18  14.381  11.459  17.805
  196   2H5*    G  18          2H5*        G  18  15.596  11.141  19.005
  197    H4*    G  18           H4*        G  18  13.714  10.490  20.106
  198    H3*    G  18           H3*        G  18  15.202   8.313  19.667
  199    H1*    G  18           H1*        G  18  11.506   8.256  18.287
  200    H8     G  18           H8         G  18  14.240   8.765  15.700
  201    H1     G  18           H1         G  18   8.167   9.049  13.550
  202   1H2     G  18          1H2         G  18   6.798   9.243  15.236
  203   2H2     G  18          2H2         G  18   7.431   8.794  16.815
  204   1H2*    G  18          1H2*        G  18  14.382   7.671  17.529
  205   2H2*    G  18          2H2*        G  18  13.221   6.730  18.435
  206   1H5*    A  19          1H5*        A  19  10.671   7.834  20.056
  207   2H5*    A  19          2H5*        A  19  10.687   7.273  21.678
  208    H4*    A  19           H4*        A  19   8.534   6.808  21.052
  209    H3*    A  19           H3*        A  19   9.677   4.349  21.510
  210    H1*    A  19           H1*        A  19   7.897   4.963  18.039
  211    H8     A  19           H8         A  19  11.772   5.195  17.912
  212   1H6     A  19          H61         A  19  10.507   5.769  11.830
  213   2H6     A  19          H62         A  19  11.910   5.521  12.874
  214    H2     A  19           H2         A  19   6.836   5.997  13.853
  215   1H2*    A  19          1H2*        A  19  10.517   4.152  19.315
  216   2H2*    A  19          2H2*        A  19   9.036   3.174  19.175
  217   1H5*    A  20          1H5*        A  20   5.962   4.731  18.759
  218   2H5*    A  20          2H5*        A  20   4.833   4.290  20.025
  219    H4*    A  20           H4*        A  20   3.507   4.016  18.205
  220    H3*    A  20           H3*        A  20   4.124   1.555  19.313
  221    H1*    A  20           H1*        A  20   4.718   2.127  15.453
  222    H8     A  20           H8         A  20   7.769   2.165  17.830
  223   1H6     A  20          H61         A  20  10.729   2.515  12.335
  224   2H6     A  20          H62         A  20  11.074   2.398  14.068
  225    H2     A  20           H2         A  20   6.600   2.530  11.522
  226   1H2*    A  20          1H2*        A  20   5.951   1.104  18.039
  227   2H2*    A  20          2H2*        A  20   4.777   0.289  17.008
  228   1H5*    G  21          1H5*        G  21   2.705   1.941  14.916
  229   2H5*    G  21          2H5*        G  21   1.055   1.585  15.403
  230    H4*    G  21           H4*        G  21   0.963   1.281  13.102
  231    H3*    G  21           H3*        G  21   0.573  -1.100  14.373
  232    H1*    G  21           H1*        G  21   3.531  -0.954  11.762
  233    H8     G  21           H8         G  21   4.740  -0.917  15.444
  234    H1     G  21           H1         G  21   9.187  -0.570  10.802
  235   1H2     G  21          1H2         G  21   8.071  -0.281   8.830
  236   2H2     G  21          2H2         G  21   6.290  -0.261   8.894
  237   1H2*    G  21          1H2*        G  21   2.757  -1.794  14.537
  238   2H2*    G  21          2H2*        G  21   2.442  -2.563  12.981
  239   1H5*    C  22          1H5*        C  22   2.090  -0.535  10.324
  240   2H5*    C  22          2H5*        C  22   0.610  -0.837   9.415
  241    H4*    C  22           H4*        C  22   2.280  -1.026   7.825
  242    H3*    C  22           H3*        C  22   0.808  -3.281   8.302
  243    H1*    C  22           H1*        C  22   4.639  -3.452   8.064
  244   1H4     C  22          1H4         C  22   6.901  -4.517  14.192
  245   2H4     C  22          2H4         C  22   8.310  -4.421  13.118
  246    H5     C  22           H5         C  22   4.735  -4.275  13.475
  247    H6     C  22           H6         C  22   3.291  -3.671  11.492
  248    H3T    C  22           H3T        C  22   1.667  -4.038   6.388
  249   1H2*    C  22          1H2*        C  22   2.275  -4.400   9.728
  250   2H2*    C  22          2H2*        C  22   2.914  -5.039   8.202
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  15.928  -7.272   9.036
    2   2H5*    G   1          2H5*        G   1  17.628  -6.890   8.723
    3    H4*    G   1           H4*        G   1  16.384  -5.866   7.031
    4    H3*    G   1           H3*        G   1  18.032  -4.123   8.351
    5    H1*    G   1           H1*        G   1  14.268  -3.114   8.098
    6    H8     G   1           H8         G   1  15.245  -4.536  11.532
    7    H1     G   1           H1         G   1   8.901  -3.900  10.620
    8   1H2     G   1          1H2         G   1   8.518  -3.883   8.478
    9   2H2     G   1          2H2         G   1   9.864  -3.858   7.316
   10    H5T    G   1           H5T        G   1  17.736  -5.851  10.460
   11   1H2*    G   1          1H2*        G   1  16.482  -3.622  10.064
   12   2H2*    G   1          2H2*        G   1  16.217  -2.218   9.034
   13   1H5*    C   2          1H5*        C   2  14.310  -3.323   6.083
   14   2H5*    C   2          2H5*        C   2  15.077  -2.815   4.599
   15    H4*    C   2           H4*        C   2  12.858  -2.309   4.196
   16    H3*    C   2           H3*        C   2  14.415  -0.112   4.255
   17    H1*    C   2           H1*        C   2  11.160  -0.161   6.281
   18   1H4     C   2          1H4         C   2  12.892  -0.879  12.633
   19   2H4     C   2          2H4         C   2  11.141  -0.644  12.505
   20    H5     C   2           H5         C   2  14.331  -0.781  10.622
   21    H6     C   2           H6         C   2  14.284  -0.788   8.233
   22   1H2*    C   2          1H2*        C   2  14.109   0.420   6.563
   23   2H2*    C   2          2H2*        C   2  12.795   1.415   5.922
   24   1H5*    T   3          1H5*        T   3   9.822  -0.041   4.906
   25   2H5*    T   3          2H5*        T   3   9.521   0.380   3.233
   26    H4*    T   3           H4*        T   3   7.491   0.781   4.221
   27    H3*    T   3           H3*        T   3   8.665   3.106   3.311
   28   1H2*    T   3          1H2*        T   3   9.614   3.825   5.257
   29   2H2*    T   3          2H2*        T   3   8.031   4.576   5.574
   30    H1*    T   3           H1*        T   3   7.297   2.917   6.942
   31    H3     T   3           H3         T   3   9.272   2.528  10.962
   32   1H5M    T   3          1H5M        T   3  13.445   3.496   9.136
   33   2H5M    T   3          2H5M        T   3  13.449   1.883   8.451
   34   3H5M    T   3          3H5M        T   3  13.255   3.308   7.383
   35    H6     T   3           H6         T   3  11.005   2.765   6.489
   36   1H5*    T   4          1H5*        T   4   5.416   2.808   6.297
   37   2H5*    T   4          2H5*        T   4   4.100   2.993   5.182
   38    H4*    T   4           H4*        T   4   3.066   3.121   7.243
   39    H3*    T   4           H3*        T   4   2.711   5.517   5.997
   40   1H2*    T   4          1H2*        T   4   4.711   6.494   6.685
   41   2H2*    T   4          2H2*        T   4   3.627   7.170   7.913
   42    H1*    T   4           H1*        T   4   4.220   5.603   9.531
   43    H3     T   4           H3         T   4   8.250   5.923  11.442
   44   1H5M    T   4          1H5M        T   4   9.780   7.770   7.312
   45   2H5M    T   4          2H5M        T   4  10.267   6.084   7.158
   46   3H5M    T   4          3H5M        T   4   9.001   6.736   6.095
   47    H6     T   4           H6         T   4   6.796   6.112   6.848
   48   1H5*    C   5          1H5*        C   5   2.235   5.508  10.966
   49   2H5*    C   5          2H5*        C   5   0.514   5.512  10.615
   50    H4*    C   5           H4*        C   5   0.573   6.135  12.855
   51    H3*    C   5           H3*        C   5  -0.368   8.101  11.250
   52    H1*    C   5           H1*        C   5   2.748   8.990  13.633
   53   1H4     C   5          1H4         C   5   7.697   9.680   9.350
   54   2H4     C   5          2H4         C   5   8.410   9.508  10.957
   55    H5     C   5           H5         C   5   5.412   8.948   8.896
   56    H6     C   5           H6         C   5   3.274   8.537   9.931
   57   1H2*    C   5          1H2*        C   5   1.553   9.454  10.982
   58   2H2*    C   5          2H2*        C   5   1.163  10.100  12.581
   59   1H5*    A   6          1H5*        A   6   1.064   8.962  15.276
   60   2H5*    A   6          2H5*        A   6  -0.512   8.817  16.028
   61    H4*    A   6           H4*        A   6   0.703   9.889  17.688
   62    H3*    A   6           H3*        A   6  -1.167  11.602  16.645
   63    H1*    A   6           H1*        A   6   2.596  12.743  16.658
   64    H8     A   6           H8         A   6   1.198  12.575  13.113
   65   1H6     A   6          H61         A   6   7.355  12.680  11.911
   66   2H6     A   6          H62         A   6   5.798  12.713  11.062
   67    H2     A   6           H2         A   6   6.835  12.425  16.119
   68   1H2*    A   6          1H2*        A   6   0.116  12.586  14.973
   69   2H2*    A   6          2H2*        A   6   0.542  13.751  16.243
   70   1H5*    G   7          1H5*        G   7   2.545  12.580  18.806
   71   2H5*    G   7          2H5*        G   7   1.858  12.817  20.416
   72    H4*    G   7           H4*        G   7   3.974  13.332  20.850
   73    H3*    G   7           H3*        G   7   2.404  15.585  20.936
   74    H1*    G   7           H1*        G   7   5.720  15.638  18.884
   75    H8     G   7           H8         G   7   2.515  15.744  16.715
   76    H1     G   7           H1         G   7   8.111  15.773  13.525
   77   1H2     G   7          1H2         G   7   9.722  15.548  14.843
   78   2H2     G   7          2H2         G   7   9.525  15.204  16.555
   79   1H2*    G   7          1H2*        G   7   2.760  16.238  18.765
   80   2H2*    G   7          2H2*        G   7   4.126  17.168  19.469
   81   1H5*    T   8          1H5*        T   8   6.887  15.703  20.756
   82   2H5*    T   8          2H5*        T   8   7.089  16.098  22.450
   83    H4*    T   8           H4*        T   8   9.187  16.473  21.594
   84    H3*    T   8           H3*        T   8   8.150  18.784  22.575
   85   1H2*    T   8          1H2*        T   8   7.051  19.504  20.675
   86   2H2*    T   8          2H2*        T   8   8.532  20.395  20.382
   87    H1*    T   8           H1*        T   8   9.453  18.792  18.921
   88    H3     T   8           H3         T   8   7.517  18.819  14.932
   89   1H5M    T   8          1H5M        T   8   3.320  18.130  17.260
   90   2H5M    T   8          2H5M        T   8   3.612  19.101  18.728
   91   3H5M    T   8          3H5M        T   8   3.415  19.913  17.180
   92    H6     T   8           H6         T   8   5.751  18.718  19.406
   93   1H5*    C   9          1H5*        C   9  11.398  19.098  19.180
   94   2H5*    C   9          2H5*        C   9  12.690  19.227  20.347
   95    H4*    C   9           H4*        C   9  13.710  19.971  18.419
   96    H3*    C   9           H3*        C   9  13.595  22.120  20.088
   97    H1*    C   9           H1*        C   9  11.876  22.590  16.600
   98   1H4     C   9          1H4         C   9   5.473  22.590  17.217
   99   2H4     C   9          2H4         C   9   5.854  22.100  15.564
  100    H5     C   9           H5         C   9   7.114  22.280  18.991
  101    H6     C   9           H6         C   9   9.552  22.166  19.401
  102   1H2*    C   9          1H2*        C   9  11.496  22.904  19.549
  103   2H2*    C   9          2H2*        C   9  12.402  23.870  18.385
  104   1H5*    G  10          1H5*        G  10  14.042  22.551  15.310
  105   2H5*    G  10          2H5*        G  10  15.798  22.714  15.417
  106    H4*    G  10           H4*        G  10  15.313  23.561  13.299
  107    H3*    G  10           H3*        G  10  16.389  25.439  14.945
  108    H1*    G  10           H1*        G  10  12.994  26.296  13.220
  109    H8     G  10           H8         G  10  12.726  25.532  17.017
  110    H1     G  10           H1         G  10   7.119  25.890  13.897
  111   1H2     G  10          1H2         G  10   7.563  26.008  11.720
  112   2H2     G  10          2H2         G  10   9.264  26.017  11.192
  113   1H2*    G  10          1H2*        G  10  14.365  26.240  15.894
  114   2H2*    G  10          2H2*        G  10  14.491  27.418  14.600
  115   1H5*    T  11          1H5*        T  11  13.715  26.379  11.372
  116   2H5*    T  11          2H5*        T  11  15.055  26.681  10.291
  117    H4*    T  11           H4*        T  11  13.353  27.629   9.034
  118    H3*    T  11           H3*        T  11  14.921  29.613  10.096
  119   1H2*    T  11          1H2*        T  11  13.628  30.049  12.023
  120   2H2*    T  11          2H2*        T  11  12.815  31.179  10.901
  121    H1*    T  11           H1*        T  11  11.064  29.734  10.442
  122    H3     T  11           H3         T  11   8.106  29.287  13.717
  123   1H5M    T  11          1H5M        T  11  11.429  28.294  16.824
  124   2H5M    T  11          2H5M        T  11  12.997  28.532  16.024
  125   3H5M    T  11          3H5M        T  11  12.022  29.918  16.568
  126    H6     T  11           H6         T  11  12.907  28.793  13.530
  127    H3T    T  11           H3T        T  11  12.728  29.733   8.416
  128   1H5*    A  12          1H5*        A  12  -0.403  30.928  15.474
  129   2H5*    A  12          2H5*        A  12  -2.067  30.428  15.386
  130    H4*    A  12           H4*        A  12  -1.277  30.224  13.207
  131    H3*    A  12           H3*        A  12  -2.122  27.801  14.088
  132    H1*    A  12           H1*        A  12   1.459  27.954  12.640
  133    H8     A  12           H8         A  12   1.313  27.636  16.463
  134   1H6     A  12          H61         A  12   7.493  28.176  16.124
  135   2H6     A  12          H62         A  12   6.148  27.829  17.221
  136    H2     A  12           H2         A  12   5.952  28.641  12.119
  137    H5T    A  12           H5T        A  12  -0.723  29.573  17.123
  138   1H2*    A  12          1H2*        A  12  -0.120  27.079  15.059
  139   2H2*    A  12          2H2*        A  12   0.129  26.316  13.482
  140   1H5*    C  13          1H5*        C  13   0.939  28.393  10.563
  141   2H5*    C  13          2H5*        C  13  -0.245  28.067   9.319
  142    H4*    C  13           H4*        C  13   1.763  27.850   8.164
  143    H3*    C  13           H3*        C  13   0.376  25.475   8.333
  144    H1*    C  13           H1*        C  13   4.109  25.474   9.369
  145   1H4     C  13          1H4         C  13   4.323  24.323  15.706
  146   2H4     C  13          2H4         C  13   5.945  24.842  15.283
  147    H5     C  13           H5         C  13   2.404  24.708  14.404
  148    H6     C  13           H6         C  13   1.638  25.170  12.159
  149   1H2*    C  13          1H2*        C  13   1.352  24.623  10.192
  150   2H2*    C  13          2H2*        C  13   2.500  23.914   9.044
  151   1H5*    G  14          1H5*        G  14   4.780  25.673   7.244
  152   2H5*    G  14          2H5*        G  14   4.543  25.403   5.525
  153    H4*    G  14           H4*        G  14   6.799  25.069   5.740
  154    H3*    G  14           H3*        G  14   5.584  22.757   5.081
  155    H1*    G  14           H1*        G  14   7.863  22.707   8.274
  156    H8     G  14           H8         G  14   4.083  22.595   8.695
  157    H1     G  14           H1         G  14   7.519  22.043  14.097
  158   1H2     G  14          1H2         G  14   9.583  22.427  13.695
  159   2H2     G  14          2H2         G  14  10.042  23.266  12.250
  160   1H2*    G  14          1H2*        G  14   5.190  21.876   7.146
  161   2H2*    G  14          2H2*        G  14   6.798  21.165   6.994
  162   1H5*    A  15          1H5*        A  15   9.718  22.948   7.256
  163   2H5*    A  15          2H5*        A  15  10.703  22.837   5.809
  164    H4*    A  15           H4*        A  15  12.169  22.440   7.586
  165    H3*    A  15           H3*        A  15  11.965  20.199   5.948
  166    H1*    A  15           H1*        A  15  11.609  19.873   9.767
  167    H8     A  15           H8         A  15   8.281  19.966   7.816
  168   1H6     A  15          H61         A  15   5.792  18.635  13.324
  169   2H6     A  15          H62         A  15   5.401  18.856  11.610
  170    H2     A  15           H2         A  15  10.015  19.007  13.934
  171   1H2*    A  15          1H2*        A  15  10.242  19.128   7.145
  172   2H2*    A  15          2H2*        A  15  11.601  18.351   7.962
  173   1H5*    C  16          1H5*        C  16  13.593  19.313  10.332
  174   2H5*    C  16          2H5*        C  16  15.224  19.462   9.734
  175    H4*    C  16           H4*        C  16  15.751  18.347  11.689
  176    H3*    C  16           H3*        C  16  15.830  16.513   9.641
  177    H1*    C  16           H1*        C  16  13.725  15.826  12.907
  178   1H4     C  16          1H4         C  16   7.740  16.044  10.144
  179   2H4     C  16          2H4         C  16   7.480  15.897  11.857
  180    H5     C  16           H5         C  16   9.880  16.556   9.159
  181    H6     C  16           H6         C  16  12.218  16.783   9.640
  182   1H2*    C  16          1H2*        C  16  13.823  15.584   9.847
  183   2H2*    C  16          2H2*        C  16  14.508  14.530  11.063
  184   1H5*    G  17          1H5*        G  17  15.510  15.180  13.949
  185   2H5*    G  17          2H5*        G  17  17.204  14.794  14.167
  186    H4*    G  17           H4*        G  17  16.215  13.912  16.042
  187    H3*    G  17           H3*        G  17  17.547  12.054  14.587
  188    H1*    G  17           H1*        G  17  13.807  11.230  15.474
  189    H8     G  17           H8         G  17  14.352  12.034  11.782
  190    H1     G  17           H1         G  17   8.346  12.570  14.033
  191   1H2     G  17          1H2         G  17   8.423  12.432  16.364
  192   2H2     G  17          2H2         G  17   9.949  11.987  17.072
  193   1H2*    G  17          1H2*        G  17  15.774  11.400  13.207
  194   2H2*    G  17          2H2*        G  17  15.569  10.155  14.462
  195   1H5*    G  18          1H5*        G  18  14.268  11.163  17.765
  196   2H5*    G  18          2H5*        G  18  15.444  10.710  18.983
  197    H4*    G  18           H4*        G  18  13.467   9.950  19.910
  198    H3*    G  18           H3*        G  18  15.111   7.850  19.342
  199    H1*    G  18           H1*        G  18  11.487   7.745  17.837
  200    H8     G  18           H8         G  18  14.302   8.221  15.243
  201    H1     G  18           H1         G  18   8.304   9.171  13.055
  202   1H2     G  18          1H2         G  18   6.909   9.183  14.732
  203   2H2     G  18          2H2         G  18   7.494   8.972  16.369
  204   1H2*    G  18          1H2*        G  18  14.390   7.334  17.203
  205   2H2*    G  18          2H2*        G  18  13.270   6.281  18.063
  206   1H5*    A  19          1H5*        A  19  10.513   7.489  19.859
  207   2H5*    A  19          2H5*        A  19  10.584   6.940  21.505
  208    H4*    A  19           H4*        A  19   8.422   6.396  20.955
  209    H3*    A  19           H3*        A  19   9.828   4.111  21.414
  210    H1*    A  19           H1*        A  19   7.943   4.366  17.971
  211    H8     A  19           H8         A  19  11.762   4.785  17.747
  212   1H6     A  19          H61         A  19  10.546   6.351  11.859
  213   2H6     A  19          H62         A  19  11.879   5.891  12.941
  214    H2     A  19           H2         A  19   6.783   5.867  13.814
  215   1H2*    A  19          1H2*        A  19  10.568   3.686  19.241
  216   2H2*    A  19          2H2*        A  19   9.055   2.765  19.139
  217   1H5*    A  20          1H5*        A  20   6.093   4.235  18.937
  218   2H5*    A  20          2H5*        A  20   4.972   3.689  20.206
  219    H4*    A  20           H4*        A  20   3.640   3.575  18.396
  220    H3*    A  20           H3*        A  20   4.131   1.198  19.538
  221    H1*    A  20           H1*        A  20   4.894   1.512  15.658
  222    H8     A  20           H8         A  20   7.947   1.275  17.935
  223   1H6     A  20          H61         A  20  10.923   2.309  12.509
  224   2H6     A  20          H62         A  20  11.180   2.125  14.239
  225    H2     A  20           H2         A  20   6.674   2.545  11.774
  226   1H2*    A  20          1H2*        A  20   5.994   0.530  18.290
  227   2H2*    A  20          2H2*        A  20   4.792  -0.188  17.223
  228   1H5*    G  21          1H5*        G  21   2.941   1.915  15.189
  229   2H5*    G  21          2H5*        G  21   1.246   1.695  15.569
  230    H4*    G  21           H4*        G  21   1.187   1.702  13.318
  231    H3*    G  21           H3*        G  21   0.500  -0.744  14.238
  232    H1*    G  21           H1*        G  21   3.519  -0.678  11.651
  233    H8     G  21           H8         G  21   4.470  -1.075  15.367
  234    H1     G  21           H1         G  21   9.375  -0.648  11.219
  235   1H2     G  21          1H2         G  21   8.439  -0.375   9.138
  236   2H2     G  21          2H2         G  21   6.666  -0.232   9.046
  237   1H2*    G  21          1H2*        G  21   2.642  -1.733  14.308
  238   2H2*    G  21          2H2*        G  21   2.226  -2.262  12.685
  239   1H5*    C  22          1H5*        C  22   2.186  -0.367  10.182
  240   2H5*    C  22          2H5*        C  22   0.655  -0.452   9.317
  241    H4*    C  22           H4*        C  22   2.199  -0.862   7.643
  242    H3*    C  22           H3*        C  22   0.580  -3.002   8.162
  243    H1*    C  22           H1*        C  22   4.400  -3.410   7.861
  244   1H4     C  22          1H4         C  22   6.879  -4.164  13.941
  245   2H4     C  22          2H4         C  22   8.242  -4.042  12.829
  246    H5     C  22           H5         C  22   4.611  -4.111  13.248
  247    H6     C  22           H6         C  22   3.130  -3.649  11.368
  248    H3T    C  22           H3T        C  22   2.668  -3.287   6.326
  249   1H2*    C  22          1H2*        C  22   2.056  -4.207   9.614
  250   2H2*    C  22          2H2*        C  22   2.581  -4.892   8.061
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  15.634  -6.933   9.320
    2   2H5*    G   1          2H5*        G   1  17.336  -7.015   8.849
    3    H4*    G   1           H4*        G   1  16.394  -5.941   7.011
    4    H3*    G   1           H3*        G   1  17.966  -4.080   8.221
    5    H1*    G   1           H1*        G   1  14.198  -3.118   7.799
    6    H8     G   1           H8         G   1  15.116  -4.129  11.383
    7    H1     G   1           H1         G   1   8.816  -4.020  10.092
    8   1H2     G   1          1H2         G   1   8.592  -3.358   7.878
    9   2H2     G   1          2H2         G   1  10.020  -2.809   6.995
   10    H5T    G   1           H5T        G   1  17.526  -6.239  10.788
   11   1H2*    G   1          1H2*        G   1  16.402  -3.448   9.871
   12   2H2*    G   1          2H2*        G   1  16.135  -2.133   8.740
   13   1H5*    C   2          1H5*        C   2  14.260  -3.263   5.708
   14   2H5*    C   2          2H5*        C   2  15.075  -2.624   4.323
   15    H4*    C   2           H4*        C   2  12.933  -2.071   3.938
   16    H3*    C   2           H3*        C   2  14.569   0.103   4.064
   17    H1*    C   2           H1*        C   2  11.342   0.304   6.106
   18   1H4     C   2          1H4         C   2  12.948  -0.787  12.289
   19   2H4     C   2          2H4         C   2  11.201  -0.546  12.272
   20    H5     C   2           H5         C   2  14.379  -0.407  10.421
   21    H6     C   2           H6         C   2  14.372  -0.604   8.035
   22   1H2*    C   2          1H2*        C   2  14.352   0.487   6.355
   23   2H2*    C   2          2H2*        C   2  13.154   1.662   5.802
   24   1H5*    T   3          1H5*        T   3  10.011   0.230   4.752
   25   2H5*    T   3          2H5*        T   3   9.692   0.788   3.133
   26    H4*    T   3           H4*        T   3   7.695   1.082   4.142
   27    H3*    T   3           H3*        T   3   8.713   3.488   3.439
   28   1H2*    T   3          1H2*        T   3   9.841   3.999   5.422
   29   2H2*    T   3          2H2*        T   3   8.307   4.779   5.825
   30    H1*    T   3           H1*        T   3   7.511   3.061   7.086
   31    H3     T   3           H3         T   3   9.496   2.884  11.066
   32   1H5M    T   3          1H5M        T   3  13.535   3.896   9.048
   33   2H5M    T   3          2H5M        T   3  13.728   2.242   8.435
   34   3H5M    T   3          3H5M        T   3  13.301   3.575   7.321
   35    H6     T   3           H6         T   3  11.205   2.886   6.562
   36   1H5*    T   4          1H5*        T   4   5.531   2.911   6.804
   37   2H5*    T   4          2H5*        T   4   4.213   3.200   5.652
   38    H4*    T   4           H4*        T   4   3.218   3.249   7.672
   39    H3*    T   4           H3*        T   4   2.922   5.456   6.196
   40   1H2*    T   4          1H2*        T   4   4.743   6.754   6.980
   41   2H2*    T   4          2H2*        T   4   3.556   7.329   8.140
   42    H1*    T   4           H1*        T   4   4.227   5.951   9.841
   43    H3     T   4           H3         T   4   8.297   6.009  11.703
   44   1H5M    T   4          1H5M        T   4  10.005   7.785   7.650
   45   2H5M    T   4          2H5M        T   4   9.917   6.154   6.961
   46   3H5M    T   4          3H5M        T   4   8.728   7.405   6.493
   47    H6     T   4           H6         T   4   6.796   6.253   7.149
   48   1H5*    C   5          1H5*        C   5   2.212   5.509  10.891
   49   2H5*    C   5          2H5*        C   5   0.496   5.240  10.670
   50    H4*    C   5           H4*        C   5   0.442   5.865  12.817
   51    H3*    C   5           H3*        C   5  -0.592   7.873  11.272
   52    H1*    C   5           H1*        C   5   2.346   8.765  13.816
   53   1H4     C   5          1H4         C   5   7.285   9.792   9.710
   54   2H4     C   5          2H4         C   5   8.039   9.849  11.306
   55    H5     C   5           H5         C   5   5.171   9.228   9.245
   56    H6     C   5           H6         C   5   3.036   8.438  10.156
   57   1H2*    C   5          1H2*        C   5   1.217   9.297  11.085
   58   2H2*    C   5          2H2*        C   5   0.803   9.896  12.690
   59   1H5*    A   6          1H5*        A   6   0.937   8.621  15.546
   60   2H5*    A   6          2H5*        A   6  -0.679   8.480  16.241
   61    H4*    A   6           H4*        A   6   0.542   9.411  17.946
   62    H3*    A   6           H3*        A   6  -1.380  11.174  17.168
   63    H1*    A   6           H1*        A   6   2.249  12.498  17.080
   64    H8     A   6           H8         A   6   0.977  12.354  13.607
   65   1H6     A   6          H61         A   6   7.119  12.787  12.337
   66   2H6     A   6          H62         A   6   5.545  13.344  11.773
   67    H2     A   6           H2         A   6   6.605  11.917  16.617
   68   1H2*    A   6          1H2*        A   6  -0.225  12.258  15.402
   69   2H2*    A   6          2H2*        A   6   0.251  13.392  16.651
   70   1H5*    G   7          1H5*        G   7   2.693  12.051  19.004
   71   2H5*    G   7          2H5*        G   7   1.974  12.259  20.563
   72    H4*    G   7           H4*        G   7   4.034  13.022  20.966
   73    H3*    G   7           H3*        G   7   2.198  15.049  21.038
   74    H1*    G   7           H1*        G   7   5.463  15.512  18.965
   75    H8     G   7           H8         G   7   2.256  15.069  16.959
   76    H1     G   7           H1         G   7   7.518  16.171  13.380
   77   1H2     G   7          1H2         G   7   9.360  15.950  14.693
   78   2H2     G   7          2H2         G   7   9.084  15.568  16.391
   79   1H2*    G   7          1H2*        G   7   2.453  15.888  18.896
   80   2H2*    G   7          2H2*        G   7   3.737  16.885  19.574
   81   1H5*    T   8          1H5*        T   8   6.631  15.656  20.671
   82   2H5*    T   8          2H5*        T   8   6.808  15.923  22.395
   83    H4*    T   8           H4*        T   8   8.862  16.439  21.549
   84    H3*    T   8           H3*        T   8   7.693  18.714  22.626
   85   1H2*    T   8          1H2*        T   8   6.661  19.502  20.736
   86   2H2*    T   8          2H2*        T   8   8.202  20.368  20.501
   87    H1*    T   8           H1*        T   8   9.080  18.836  19.044
   88    H3     T   8           H3         T   8   7.319  18.697  14.951
   89   1H5M    T   8          1H5M        T   8   2.939  18.068  16.821
   90   2H5M    T   8          2H5M        T   8   3.134  18.735  18.469
   91   3H5M    T   8          3H5M        T   8   3.116  19.800  17.057
   92    H6     T   8           H6         T   8   5.333  18.710  19.342
   93   1H5*    C   9          1H5*        C   9  10.912  19.162  19.449
   94   2H5*    C   9          2H5*        C   9  12.189  19.269  20.648
   95    H4*    C   9           H4*        C   9  13.291  19.783  18.708
   96    H3*    C   9           H3*        C   9  13.194  22.006  20.264
   97    H1*    C   9           H1*        C   9  11.830  22.219  16.632
   98   1H4     C   9          1H4         C   9   5.280  21.928  17.092
   99   2H4     C   9          2H4         C   9   5.665  21.708  15.390
  100    H5     C   9           H5         C   9   6.851  22.031  18.809
  101    H6     C   9           H6         C   9   9.200  22.058  19.349
  102   1H2*    C   9          1H2*        C   9  11.183  22.884  19.499
  103   2H2*    C   9          2H2*        C   9  12.254  23.710  18.336
  104   1H5*    G  10          1H5*        G  10  13.731  22.500  15.632
  105   2H5*    G  10          2H5*        G  10  15.488  22.417  15.697
  106    H4*    G  10           H4*        G  10  15.247  23.134  13.553
  107    H3*    G  10           H3*        G  10  16.430  24.989  15.022
  108    H1*    G  10           H1*        G  10  12.966  26.126  13.303
  109    H8     G  10           H8         G  10  12.696  25.310  17.081
  110    H1     G  10           H1         G  10   7.231  25.431  13.652
  111   1H2     G  10          1H2         G  10   7.683  25.848  11.659
  112   2H2     G  10          2H2         G  10   9.347  25.722  11.073
  113   1H2*    G  10          1H2*        G  10  14.511  26.065  15.857
  114   2H2*    G  10          2H2*        G  10  14.722  27.105  14.433
  115   1H5*    T  11          1H5*        T  11  14.156  25.930  11.382
  116   2H5*    T  11          2H5*        T  11  15.485  26.402  10.325
  117    H4*    T  11           H4*        T  11  13.640  27.079   9.189
  118    H3*    T  11           H3*        T  11  15.238  29.150   9.932
  119   1H2*    T  11          1H2*        T  11  14.146  29.668  11.957
  120   2H2*    T  11          2H2*        T  11  13.226  30.785  10.926
  121    H1*    T  11           H1*        T  11  11.457  29.273  10.599
  122    H3     T  11           H3         T  11   8.646  28.907  14.105
  123   1H5M    T  11          1H5M        T  11  13.374  29.752  16.190
  124   2H5M    T  11          2H5M        T  11  12.112  29.091  17.209
  125   3H5M    T  11          3H5M        T  11  13.231  27.976  16.424
  126    H6     T  11           H6         T  11  13.430  28.659  13.727
  127    H3T    T  11           H3T        T  11  12.844  29.273   8.487
  128   1H5*    A  12          1H5*        A  12   0.540  31.136  15.450
  129   2H5*    A  12          2H5*        A  12  -1.190  31.029  15.183
  130    H4*    A  12           H4*        A  12  -0.289  30.891  13.064
  131    H3*    A  12           H3*        A  12  -1.576  28.576  13.785
  132    H1*    A  12           H1*        A  12   2.101  28.276  12.372
  133    H8     A  12           H8         A  12   1.623  28.130  16.198
  134   1H6     A  12          H61         A  12   7.884  28.383  16.353
  135   2H6     A  12          H62         A  12   6.490  28.373  17.444
  136    H2     A  12           H2         A  12   6.738  27.996  12.293
  137    H5T    A  12           H5T        A  12  -0.427  29.783  16.924
  138   1H2*    A  12          1H2*        A  12   0.244  27.459  14.644
  139   2H2*    A  12          2H2*        A  12   0.359  26.794  13.017
  140   1H5*    C  13          1H5*        C  13   1.573  28.636  10.350
  141   2H5*    C  13          2H5*        C  13   0.323  28.621   9.132
  142    H4*    C  13           H4*        C  13   2.249  28.010   7.916
  143    H3*    C  13           H3*        C  13   0.518  25.869   8.116
  144    H1*    C  13           H1*        C  13   4.206  25.374   9.161
  145   1H4     C  13          1H4         C  13   4.376  24.667  15.632
  146   2H4     C  13          2H4         C  13   6.050  24.788  15.116
  147    H5     C  13           H5         C  13   2.546  24.844  14.262
  148    H6     C  13           H6         C  13   1.790  25.409  11.996
  149   1H2*    C  13          1H2*        C  13   1.345  24.953  10.033
  150   2H2*    C  13          2H2*        C  13   2.345  24.000   8.932
  151   1H5*    G  14          1H5*        G  14   4.896  25.338   7.066
  152   2H5*    G  14          2H5*        G  14   4.686  25.230   5.333
  153    H4*    G  14           H4*        G  14   6.881  24.593   5.510
  154    H3*    G  14           H3*        G  14   5.465  22.342   4.837
  155    H1*    G  14           H1*        G  14   7.682  22.238   8.131
  156    H8     G  14           H8         G  14   3.846  22.441   8.513
  157    H1     G  14           H1         G  14   7.184  22.072  14.019
  158   1H2     G  14          1H2         G  14   9.404  22.363  13.506
  159   2H2     G  14          2H2         G  14   9.820  22.635  11.819
  160   1H2*    G  14          1H2*        G  14   5.037  21.496   6.912
  161   2H2*    G  14          2H2*        G  14   6.609  20.724   6.761
  162   1H5*    A  15          1H5*        A  15   9.434  22.440   6.933
  163   2H5*    A  15          2H5*        A  15  10.408  22.362   5.461
  164    H4*    A  15           H4*        A  15  11.993  21.914   7.068
  165    H3*    A  15           H3*        A  15  11.397  19.676   5.598
  166    H1*    A  15           H1*        A  15  11.322  19.483   9.497
  167    H8     A  15           H8         A  15   7.983  19.512   7.627
  168   1H6     A  15          H61         A  15   5.421  18.596  13.190
  169   2H6     A  15          H62         A  15   5.086  18.859  11.472
  170    H2     A  15           H2         A  15   9.648  19.141  13.832
  171   1H2*    A  15          1H2*        A  15   9.783  18.766   6.954
  172   2H2*    A  15          2H2*        A  15  11.112  17.930   7.731
  173   1H5*    C  16          1H5*        C  16  13.390  19.129   9.719
  174   2H5*    C  16          2H5*        C  16  14.988  18.921   8.996
  175    H4*    C  16           H4*        C  16  15.404  18.383  11.087
  176    H3*    C  16           H3*        C  16  15.672  16.259   9.361
  177    H1*    C  16           H1*        C  16  13.345  15.673  12.525
  178   1H4     C  16          1H4         C  16   7.343  15.773   9.864
  179   2H4     C  16          2H4         C  16   7.147  15.600  11.603
  180    H5     C  16           H5         C  16   9.470  16.092   8.800
  181    H6     C  16           H6         C  16  11.842  16.255   9.162
  182   1H2*    C  16          1H2*        C  16  13.653  15.360   9.522
  183   2H2*    C  16          2H2*        C  16  14.311  14.395  10.828
  184   1H5*    G  17          1H5*        G  17  15.235  15.331  13.962
  185   2H5*    G  17          2H5*        G  17  16.978  15.222  14.100
  186    H4*    G  17           H4*        G  17  16.375  14.337  16.017
  187    H3*    G  17           H3*        G  17  17.537  12.283  14.696
  188    H1*    G  17           H1*        G  17  13.782  11.664  15.708
  189    H8     G  17           H8         G  17  14.358  12.326  11.934
  190    H1     G  17           H1         G  17   8.238  12.435  13.973
  191   1H2     G  17          1H2         G  17   8.196  12.414  16.080
  192   2H2     G  17          2H2         G  17   9.645  12.077  17.033
  193   1H2*    G  17          1H2*        G  17  15.785  11.692  13.428
  194   2H2*    G  17          2H2*        G  17  15.550  10.475  14.704
  195   1H5*    G  18          1H5*        G  18  14.180  11.441  17.773
  196   2H5*    G  18          2H5*        G  18  15.302  11.133  19.097
  197    H4*    G  18           H4*        G  18  13.472  10.207  20.062
  198    H3*    G  18           H3*        G  18  15.160   8.260  19.292
  199    H1*    G  18           H1*        G  18  11.420   8.084  18.106
  200    H8     G  18           H8         G  18  13.870   9.166  15.413
  201    H1     G  18           H1         G  18   7.703   8.926  13.509
  202   1H2     G  18          1H2         G  18   6.435   8.751  15.227
  203   2H2     G  18          2H2         G  18   7.110   8.755  16.845
  204   1H2*    G  18          1H2*        G  18  14.308   7.912  17.154
  205   2H2*    G  18          2H2*        G  18  13.319   6.698  17.959
  206   1H5*    A  19          1H5*        A  19  10.803   7.465  19.897
  207   2H5*    A  19          2H5*        A  19  10.973   6.892  21.552
  208    H4*    A  19           H4*        A  19   8.794   6.391  21.060
  209    H3*    A  19           H3*        A  19  10.179   4.080  21.517
  210    H1*    A  19           H1*        A  19   8.186   4.408  18.174
  211    H8     A  19           H8         A  19  12.010   4.970  17.857
  212   1H6     A  19          H61         A  19  10.405   6.368  11.956
  213   2H6     A  19          H62         A  19  11.888   6.060  12.869
  214    H2     A  19           H2         A  19   6.883   5.749  14.065
  215   1H2*    A  19          1H2*        A  19  10.924   3.743  19.313
  216   2H2*    A  19          2H2*        A  19   9.482   2.739  19.260
  217   1H5*    A  20          1H5*        A  20   6.245   4.343  19.129
  218   2H5*    A  20          2H5*        A  20   5.273   3.758  20.453
  219    H4*    A  20           H4*        A  20   3.838   3.536  18.667
  220    H3*    A  20           H3*        A  20   4.449   1.033  19.650
  221    H1*    A  20           H1*        A  20   5.096   1.695  15.779
  222    H8     A  20           H8         A  20   8.145   1.459  18.138
  223   1H6     A  20          H61         A  20  11.134   2.534  12.732
  224   2H6     A  20          H62         A  20  11.431   2.247  14.453
  225    H2     A  20           H2         A  20   6.949   2.494  11.902
  226   1H2*    A  20          1H2*        A  20   6.222   0.499  18.302
  227   2H2*    A  20          2H2*        A  20   4.976  -0.128  17.228
  228   1H5*    G  21          1H5*        G  21   3.141   1.959  15.555
  229   2H5*    G  21          2H5*        G  21   1.410   1.621  15.659
  230    H4*    G  21           H4*        G  21   1.710   1.821  13.433
  231    H3*    G  21           H3*        G  21   0.872  -0.580  14.437
  232    H1*    G  21           H1*        G  21   3.727  -0.542  11.723
  233    H8     G  21           H8         G  21   4.848  -1.058  15.368
  234    H1     G  21           H1         G  21   9.523  -0.580  11.002
  235   1H2     G  21          1H2         G  21   8.566  -0.449   8.968
  236   2H2     G  21          2H2         G  21   6.845  -0.094   8.869
  237   1H2*    G  21          1H2*        G  21   2.939  -1.690  14.413
  238   2H2*    G  21          2H2*        G  21   2.442  -2.189  12.800
  239   1H5*    C  22          1H5*        C  22   2.555   0.131  10.361
  240   2H5*    C  22          2H5*        C  22   1.011   0.266   9.559
  241    H4*    C  22           H4*        C  22   2.557   0.163   7.874
  242    H3*    C  22           H3*        C  22   0.923  -2.080   7.719
  243    H1*    C  22           H1*        C  22   4.764  -2.490   7.720
  244   1H4     C  22          1H4         C  22   6.703  -5.301  13.351
  245   2H4     C  22          2H4         C  22   8.095  -4.872  12.367
  246    H5     C  22           H5         C  22   4.462  -4.222  12.850
  247    H6     C  22           H6         C  22   3.205  -3.135  11.083
  248    H3T    C  22           H3T        C  22   3.104  -1.230   6.165
  249   1H2*    C  22          1H2*        C  22   2.183  -3.610   8.843
  250   2H2*    C  22          2H2*        C  22   2.977  -3.802   7.247
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  16.889  -6.287  10.192
    2   2H5*    G   1          2H5*        G   1  18.511  -5.768   9.757
    3    H4*    G   1           H4*        G   1  17.206  -5.278   7.872
    4    H3*    G   1           H3*        G   1  18.319  -2.966   8.823
    5    H1*    G   1           H1*        G   1  14.392  -2.994   8.408
    6    H8     G   1           H8         G   1  15.511  -3.110  12.013
    7    H1     G   1           H1         G   1   9.312  -4.560  10.853
    8   1H2     G   1          1H2         G   1   9.052  -4.355   8.684
    9   2H2     G   1          2H2         G   1  10.463  -4.500   7.639
   10    H5T    G   1           H5T        G   1  18.206  -3.977  11.021
   11   1H2*    G   1          1H2*        G   1  16.608  -2.376  10.348
   12   2H2*    G   1          2H2*        G   1  16.071  -1.453   8.952
   13   1H5*    C   2          1H5*        C   2  14.416  -3.282   6.253
   14   2H5*    C   2          2H5*        C   2  15.174  -2.910   4.717
   15    H4*    C   2           H4*        C   2  12.961  -2.610   4.229
   16    H3*    C   2           H3*        C   2  14.350  -0.241   4.112
   17    H1*    C   2           H1*        C   2  11.062  -0.362   6.040
   18   1H4     C   2          1H4         C   2  12.612  -0.171  12.382
   19   2H4     C   2          2H4         C   2  10.848  -0.383  12.322
   20    H5     C   2           H5         C   2  14.016  -0.023  10.511
   21    H6     C   2           H6         C   2  14.108  -0.260   8.138
   22   1H2*    C   2          1H2*        C   2  14.010   0.404   6.277
   23   2H2*    C   2          2H2*        C   2  12.644   1.288   5.598
   24   1H5*    T   3          1H5*        T   3   9.687  -0.451   4.560
   25   2H5*    T   3          2H5*        T   3   9.312   0.063   2.928
   26    H4*    T   3           H4*        T   3   7.261   0.375   4.114
   27    H3*    T   3           H3*        T   3   8.322   2.675   3.138
   28   1H2*    T   3          1H2*        T   3   9.420   3.279   5.071
   29   2H2*    T   3          2H2*        T   3   7.893   4.136   5.414
   30    H1*    T   3           H1*        T   3   7.117   2.350   6.837
   31    H3     T   3           H3         T   3   9.054   2.492  10.855
   32   1H5M    T   3          1H5M        T   3  12.966   4.110   8.103
   33   2H5M    T   3          2H5M        T   3  13.444   2.616   8.903
   34   3H5M    T   3          3H5M        T   3  13.071   2.615   7.176
   35    H6     T   3           H6         T   3  10.847   2.488   6.391
   36   1H5*    T   4          1H5*        T   4   5.091   2.470   6.463
   37   2H5*    T   4          2H5*        T   4   3.762   2.808   5.324
   38    H4*    T   4           H4*        T   4   2.773   2.889   7.374
   39    H3*    T   4           H3*        T   4   2.717   5.261   6.009
   40   1H2*    T   4          1H2*        T   4   4.618   6.165   6.843
   41   2H2*    T   4          2H2*        T   4   3.559   6.846   8.095
   42    H1*    T   4           H1*        T   4   4.085   5.252   9.679
   43    H3     T   4           H3         T   4   8.179   5.561  11.458
   44   1H5M    T   4          1H5M        T   4  10.007   6.784   7.455
   45   2H5M    T   4          2H5M        T   4   9.726   5.281   6.602
   46   3H5M    T   4          3H5M        T   4   8.703   6.708   6.277
   47    H6     T   4           H6         T   4   6.642   5.349   6.904
   48   1H5*    C   5          1H5*        C   5   2.191   5.416  10.651
   49   2H5*    C   5          2H5*        C   5   0.455   5.277  10.441
   50    H4*    C   5           H4*        C   5   0.530   5.791  12.588
   51    H3*    C   5           H3*        C   5  -0.535   7.784  11.083
   52    H1*    C   5           H1*        C   5   2.447   8.721  13.516
   53   1H4     C   5          1H4         C   5   7.719   8.872   9.438
   54   2H4     C   5          2H4         C   5   8.278   9.183  11.063
   55    H5     C   5           H5         C   5   5.455   8.453   8.934
   56    H6     C   5           H6         C   5   3.172   8.544   9.834
   57   1H2*    C   5          1H2*        C   5   1.324   9.046  10.757
   58   2H2*    C   5          2H2*        C   5   0.919   9.844  12.294
   59   1H5*    A   6          1H5*        A   6   0.836   8.677  15.074
   60   2H5*    A   6          2H5*        A   6  -0.720   8.582  15.838
   61    H4*    A   6           H4*        A   6   0.647   9.370  17.509
   62    H3*    A   6           H3*        A   6  -1.249  11.284  17.024
   63    H1*    A   6           H1*        A   6   2.384  12.350  17.010
   64    H8     A   6           H8         A   6   1.171  12.252  13.416
   65   1H6     A   6          H61         A   6   7.321  12.173  12.145
   66   2H6     A   6          H62         A   6   5.735  12.436  11.432
   67    H2     A   6           H2         A   6   6.759  12.189  16.511
   68   1H2*    A   6          1H2*        A   6  -0.079  12.340  15.203
   69   2H2*    A   6          2H2*        A   6   0.403  13.447  16.488
   70   1H5*    G   7          1H5*        G   7   2.919  12.065  18.941
   71   2H5*    G   7          2H5*        G   7   2.308  12.264  20.571
   72    H4*    G   7           H4*        G   7   4.374  12.976  20.937
   73    H3*    G   7           H3*        G   7   2.635  15.073  21.053
   74    H1*    G   7           H1*        G   7   5.906  15.476  18.919
   75    H8     G   7           H8         G   7   2.724  15.220  16.801
   76    H1     G   7           H1         G   7   8.186  16.011  13.469
   77   1H2     G   7          1H2         G   7   9.810  15.993  14.800
   78   2H2     G   7          2H2         G   7   9.544  15.844  16.558
   79   1H2*    G   7          1H2*        G   7   2.920  15.836  18.930
   80   2H2*    G   7          2H2*        G   7   4.230  16.805  19.698
   81   1H5*    T   8          1H5*        T   8   7.002  15.752  20.521
   82   2H5*    T   8          2H5*        T   8   7.303  15.922  22.236
   83    H4*    T   8           H4*        T   8   9.318  16.642  21.349
   84    H3*    T   8           H3*        T   8   8.033  18.827  22.446
   85   1H2*    T   8          1H2*        T   8   6.980  19.606  20.563
   86   2H2*    T   8          2H2*        T   8   8.485  20.483  20.294
   87    H1*    T   8           H1*        T   8   9.331  18.975  18.730
   88    H3     T   8           H3         T   8   7.238  19.123  14.788
   89   1H5M    T   8          1H5M        T   8   3.152  17.775  17.051
   90   2H5M    T   8          2H5M        T   8   3.412  18.604  18.611
   91   3H5M    T   8          3H5M        T   8   3.243  19.539  17.107
   92    H6     T   8           H6         T   8   5.690  18.446  19.299
   93   1H5*    C   9          1H5*        C   9  11.197  19.447  19.168
   94   2H5*    C   9          2H5*        C   9  12.479  19.466  20.387
   95    H4*    C   9           H4*        C   9  13.614  20.270  18.581
   96    H3*    C   9           H3*        C   9  13.293  22.296  20.286
   97    H1*    C   9           H1*        C   9  11.912  22.796  16.608
   98   1H4     C   9          1H4         C   9   5.404  22.140  17.185
   99   2H4     C   9          2H4         C   9   5.826  22.092  15.452
  100    H5     C   9           H5         C   9   7.069  21.817  18.896
  101    H6     C   9           H6         C   9   9.401  22.232  19.355
  102   1H2*    C   9          1H2*        C   9  11.242  23.056  19.537
  103   2H2*    C   9          2H2*        C   9  12.219  24.125  18.533
  104   1H5*    G  10          1H5*        G  10  13.965  22.722  15.847
  105   2H5*    G  10          2H5*        G  10  15.722  22.982  15.984
  106    H4*    G  10           H4*        G  10  15.255  23.529  13.786
  107    H3*    G  10           H3*        G  10  16.377  25.383  15.402
  108    H1*    G  10           H1*        G  10  13.093  26.546  13.543
  109    H8     G  10           H8         G  10  12.738  25.725  17.271
  110    H1     G  10           H1         G  10   7.302  25.683  13.853
  111   1H2     G  10          1H2         G  10   7.783  26.266  11.742
  112   2H2     G  10          2H2         G  10   9.455  26.352  11.201
  113   1H2*    G  10          1H2*        G  10  14.456  26.520  16.192
  114   2H2*    G  10          2H2*        G  10  14.665  27.547  14.795
  115   1H5*    T  11          1H5*        T  11  14.108  26.049  11.663
  116   2H5*    T  11          2H5*        T  11  15.475  26.334  10.618
  117    H4*    T  11           H4*        T  11  13.741  27.031   9.264
  118    H3*    T  11           H3*        T  11  15.314  29.126  10.011
  119   1H2*    T  11          1H2*        T  11  14.060  29.926  11.820
  120   2H2*    T  11          2H2*        T  11  13.237  30.839  10.548
  121    H1*    T  11           H1*        T  11  11.437  29.342  10.385
  122    H3     T  11           H3         T  11   8.570  29.380  13.905
  123   1H5M    T  11          1H5M        T  11  12.019  29.842  16.894
  124   2H5M    T  11          2H5M        T  11  12.990  28.459  16.356
  125   3H5M    T  11          3H5M        T  11  13.415  30.136  15.881
  126    H6     T  11           H6         T  11  13.353  28.965  13.561
  127    H3T    T  11           H3T        T  11  13.181  28.927   8.289
  128   1H5*    A  12          1H5*        A  12   0.173  31.317  15.669
  129   2H5*    A  12          2H5*        A  12  -1.488  30.688  15.532
  130    H4*    A  12           H4*        A  12  -0.660  30.643  13.466
  131    H3*    A  12           H3*        A  12  -1.564  28.280  14.329
  132    H1*    A  12           H1*        A  12   2.132  28.341  12.888
  133    H8     A  12           H8         A  12   1.738  28.356  16.762
  134   1H6     A  12          H61         A  12   7.911  29.231  16.601
  135   2H6     A  12          H62         A  12   6.570  29.141  17.758
  136    H2     A  12           H2         A  12   6.597  28.706  12.576
  137    H5T    A  12           H5T        A  12  -0.851  29.745  17.290
  138   1H2*    A  12          1H2*        A  12   0.454  27.372  15.189
  139   2H2*    A  12          2H2*        A  12   0.648  26.726  13.570
  140   1H5*    C  13          1H5*        C  13   1.541  28.555  10.894
  141   2H5*    C  13          2H5*        C  13   0.251  28.517   9.707
  142    H4*    C  13           H4*        C  13   2.074  28.130   8.410
  143    H3*    C  13           H3*        C  13   0.488  25.933   8.455
  144    H1*    C  13           H1*        C  13   4.263  25.436   9.399
  145   1H4     C  13          1H4         C  13   4.422  24.873  15.879
  146   2H4     C  13          2H4         C  13   6.101  25.235  15.442
  147    H5     C  13           H5         C  13   2.713  24.857  14.553
  148    H6     C  13           H6         C  13   1.940  24.920  12.219
  149   1H2*    C  13          1H2*        C  13   1.405  24.919  10.299
  150   2H2*    C  13          2H2*        C  13   2.332  24.050   9.095
  151   1H5*    G  14          1H5*        G  14   4.855  25.826   7.376
  152   2H5*    G  14          2H5*        G  14   4.673  25.834   5.627
  153    H4*    G  14           H4*        G  14   6.895  25.278   5.775
  154    H3*    G  14           H3*        G  14   5.484  23.140   4.843
  155    H1*    G  14           H1*        G  14   7.706  22.529   8.064
  156    H8     G  14           H8         G  14   3.929  22.657   8.599
  157    H1     G  14           H1         G  14   7.466  22.325  13.925
  158   1H2     G  14          1H2         G  14   9.663  22.779  13.363
  159   2H2     G  14          2H2         G  14  10.099  23.174  11.705
  160   1H2*    G  14          1H2*        G  14   4.939  22.198   6.873
  161   2H2*    G  14          2H2*        G  14   6.379  21.235   6.592
  162   1H5*    A  15          1H5*        A  15   9.519  22.882   7.055
  163   2H5*    A  15          2H5*        A  15  10.394  22.853   5.547
  164    H4*    A  15           H4*        A  15  12.086  22.430   7.022
  165    H3*    A  15           H3*        A  15  11.539  20.182   5.632
  166    H1*    A  15           H1*        A  15  11.483  19.974   9.583
  167    H8     A  15           H8         A  15   8.132  20.035   7.613
  168   1H6     A  15          H61         A  15   5.716  18.904  13.302
  169   2H6     A  15          H62         A  15   5.120  19.143  11.694
  170    H2     A  15           H2         A  15   9.866  19.138  13.745
  171   1H2*    A  15          1H2*        A  15  10.025  19.176   7.052
  172   2H2*    A  15          2H2*        A  15  11.420  18.451   7.847
  173   1H5*    C  16          1H5*        C  16  13.588  19.523   9.810
  174   2H5*    C  16          2H5*        C  16  15.176  19.432   9.095
  175    H4*    C  16           H4*        C  16  15.580  18.607  11.164
  176    H3*    C  16           H3*        C  16  15.862  16.590   9.346
  177    H1*    C  16           H1*        C  16  13.470  15.897  12.375
  178   1H4     C  16          1H4         C  16   7.429  16.625   9.724
  179   2H4     C  16          2H4         C  16   7.358  16.403  11.476
  180    H5     C  16           H5         C  16   9.643  16.487   8.607
  181    H6     C  16           H6         C  16  12.028  16.674   9.063
  182   1H2*    C  16          1H2*        C  16  13.763  15.660   9.407
  183   2H2*    C  16          2H2*        C  16  14.390  14.706  10.744
  184   1H5*    G  17          1H5*        G  17  15.342  15.310  13.980
  185   2H5*    G  17          2H5*        G  17  17.076  15.162  14.047
  186    H4*    G  17           H4*        G  17  16.447  14.047  15.945
  187    H3*    G  17           H3*        G  17  17.513  12.079  14.384
  188    H1*    G  17           H1*        G  17  13.713  11.545  15.373
  189    H8     G  17           H8         G  17  14.375  12.608  11.770
  190    H1     G  17           H1         G  17   8.303  12.703  13.861
  191   1H2     G  17          1H2         G  17   8.339  12.470  16.102
  192   2H2     G  17          2H2         G  17   9.931  12.468  16.908
  193   1H2*    G  17          1H2*        G  17  15.671  11.585  13.102
  194   2H2*    G  17          2H2*        G  17  15.397  10.369  14.353
  195   1H5*    G  18          1H5*        G  18  14.255  11.393  17.667
  196   2H5*    G  18          2H5*        G  18  15.375  10.732  18.850
  197    H4*    G  18           H4*        G  18  13.251  10.292  19.739
  198    H3*    G  18           H3*        G  18  14.757   8.048  19.318
  199    H1*    G  18           H1*        G  18  11.126   8.113  17.915
  200    H8     G  18           H8         G  18  13.823   8.847  15.277
  201    H1     G  18           H1         G  18   7.803   9.008  13.117
  202   1H2     G  18          1H2         G  18   6.413   8.896  14.835
  203   2H2     G  18          2H2         G  18   7.027   8.606  16.473
  204   1H2*    G  18          1H2*        G  18  14.046   7.719  17.106
  205   2H2*    G  18          2H2*        G  18  13.000   6.580  17.940
  206   1H5*    A  19          1H5*        A  19  10.002   7.632  19.628
  207   2H5*    A  19          2H5*        A  19  10.113   7.047  21.300
  208    H4*    A  19           H4*        A  19   8.011   6.517  20.809
  209    H3*    A  19           H3*        A  19   9.495   4.323  21.343
  210    H1*    A  19           H1*        A  19   7.719   4.386  17.781
  211    H8     A  19           H8         A  19  11.595   4.911  17.874
  212   1H6     A  19          H61         A  19  10.496   5.926  11.779
  213   2H6     A  19          H62         A  19  11.829   5.918  12.933
  214    H2     A  19           H2         A  19   6.746   5.316  13.699
  215   1H2*    A  19          1H2*        A  19  10.289   3.894  19.263
  216   2H2*    A  19          2H2*        A  19   8.879   2.843  19.098
  217   1H5*    A  20          1H5*        A  20   5.740   4.002  18.840
  218   2H5*    A  20          2H5*        A  20   4.735   3.472  20.163
  219    H4*    A  20           H4*        A  20   3.292   3.128  18.457
  220    H3*    A  20           H3*        A  20   3.999   0.817  19.575
  221    H1*    A  20           H1*        A  20   4.681   1.066  15.681
  222    H8     A  20           H8         A  20   7.768   1.442  18.017
  223   1H6     A  20          H61         A  20  10.552   2.639  12.542
  224   2H6     A  20          H62         A  20  10.988   2.578  14.254
  225    H2     A  20           H2         A  20   6.408   2.382  11.806
  226   1H2*    A  20          1H2*        A  20   5.893   0.324  18.289
  227   2H2*    A  20          2H2*        A  20   4.733  -0.557  17.285
  228   1H5*    G  21          1H5*        G  21   2.545   1.210  15.402
  229   2H5*    G  21          2H5*        G  21   0.913   0.564  15.714
  230    H4*    G  21           H4*        G  21   0.978   0.869  13.493
  231    H3*    G  21           H3*        G  21   0.448  -1.604  14.297
  232    H1*    G  21           H1*        G  21   3.500  -1.231  11.813
  233    H8     G  21           H8         G  21   4.499  -1.696  15.504
  234    H1     G  21           H1         G  21   9.132  -0.734  11.095
  235   1H2     G  21          1H2         G  21   7.940  -0.554   9.059
  236   2H2     G  21          2H2         G  21   6.159  -0.733   9.263
  237   1H2*    G  21          1H2*        G  21   2.708  -2.445  14.412
  238   2H2*    G  21          2H2*        G  21   2.380  -2.976  12.764
  239   1H5*    C  22          1H5*        C  22   2.397  -0.528  10.435
  240   2H5*    C  22          2H5*        C  22   0.950  -0.619   9.446
  241    H4*    C  22           H4*        C  22   2.634  -0.598   7.926
  242    H3*    C  22           H3*        C  22   1.184  -2.954   7.957
  243    H1*    C  22           H1*        C  22   5.023  -3.022   7.808
  244   1H4     C  22          1H4         C  22   7.170  -4.768  13.757
  245   2H4     C  22          2H4         C  22   8.534  -4.793  12.678
  246    H5     C  22           H5         C  22   4.911  -4.647  13.019
  247    H6     C  22           H6         C  22   3.564  -3.720  11.114
  248    H3T    C  22           H3T        C  22   3.275  -2.072   6.332
  249   1H2*    C  22          1H2*        C  22   2.607  -4.181   9.268
  250   2H2*    C  22          2H2*        C  22   3.293  -4.643   7.695
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  16.528  -6.615   9.834
    2   2H5*    G   1          2H5*        G   1  18.057  -6.435   9.001
    3    H4*    G   1           H4*        G   1  16.685  -5.345   7.498
    4    H3*    G   1           H3*        G   1  18.228  -3.396   8.694
    5    H1*    G   1           H1*        G   1  14.528  -2.905   8.349
    6    H8     G   1           H8         G   1  15.276  -3.457  12.026
    7    H1     G   1           H1         G   1   9.076  -3.818  10.297
    8   1H2     G   1          1H2         G   1   8.969  -3.392   8.245
    9   2H2     G   1          2H2         G   1  10.404  -3.090   7.234
   10    H5T    G   1           H5T        G   1  18.692  -5.199  10.553
   11   1H2*    G   1          1H2*        G   1  16.689  -3.001  10.474
   12   2H2*    G   1          2H2*        G   1  16.256  -1.673   9.356
   13   1H5*    C   2          1H5*        C   2  14.148  -2.937   6.236
   14   2H5*    C   2          2H5*        C   2  15.051  -2.530   4.809
   15    H4*    C   2           H4*        C   2  12.896  -2.053   4.135
   16    H3*    C   2           H3*        C   2  14.205   0.330   4.100
   17    H1*    C   2           H1*        C   2  10.999   0.192   6.229
   18   1H4     C   2          1H4         C   2  12.772  -0.264  12.515
   19   2H4     C   2          2H4         C   2  11.016  -0.402  12.509
   20    H5     C   2           H5         C   2  14.105  -0.189  10.632
   21    H6     C   2           H6         C   2  14.152  -0.221   8.216
   22   1H2*    C   2          1H2*        C   2  13.940   0.783   6.406
   23   2H2*    C   2          2H2*        C   2  12.642   1.763   5.722
   24   1H5*    T   3          1H5*        T   3   9.781   0.149   4.829
   25   2H5*    T   3          2H5*        T   3   9.357   0.482   3.171
   26    H4*    T   3           H4*        T   3   7.347   0.823   4.200
   27    H3*    T   3           H3*        T   3   8.363   3.170   3.335
   28   1H2*    T   3          1H2*        T   3   9.479   3.806   5.277
   29   2H2*    T   3          2H2*        T   3   7.933   4.575   5.708
   30    H1*    T   3           H1*        T   3   7.253   2.837   7.046
   31    H3     T   3           H3         T   3   9.310   2.803  11.011
   32   1H5M    T   3          1H5M        T   3  13.172   3.868   7.455
   33   2H5M    T   3          2H5M        T   3  13.443   3.636   9.194
   34   3H5M    T   3          3H5M        T   3  13.417   2.236   8.120
   35    H6     T   3           H6         T   3  11.004   2.966   6.512
   36   1H5*    T   4          1H5*        T   4   5.175   2.522   6.390
   37   2H5*    T   4          2H5*        T   4   3.778   2.934   5.399
   38    H4*    T   4           H4*        T   4   2.966   2.787   7.622
   39    H3*    T   4           H3*        T   4   2.507   5.064   6.278
   40   1H2*    T   4          1H2*        T   4   4.454   6.244   6.985
   41   2H2*    T   4          2H2*        T   4   3.409   6.843   8.255
   42    H1*    T   4           H1*        T   4   4.051   5.190   9.833
   43    H3     T   4           H3         T   4   8.030   6.128  11.589
   44   1H5M    T   4          1H5M        T   4   9.480   7.753   7.398
   45   2H5M    T   4          2H5M        T   4   9.428   6.140   6.664
   46   3H5M    T   4          3H5M        T   4   8.135   7.308   6.337
   47    H6     T   4           H6         T   4   6.449   5.853   7.060
   48   1H5*    C   5          1H5*        C   5   2.301   5.222  11.073
   49   2H5*    C   5          2H5*        C   5   0.561   4.926  10.891
   50    H4*    C   5           H4*        C   5   0.594   5.625  13.039
   51    H3*    C   5           H3*        C   5  -0.543   7.507  11.431
   52    H1*    C   5           H1*        C   5   2.454   8.663  13.786
   53   1H4     C   5          1H4         C   5   7.418   9.243   9.606
   54   2H4     C   5          2H4         C   5   7.979   9.635  11.249
   55    H5     C   5           H5         C   5   5.272   8.430   9.167
   56    H6     C   5           H6         C   5   3.088   8.031  10.117
   57   1H2*    C   5          1H2*        C   5   1.331   8.888  11.026
   58   2H2*    C   5          2H2*        C   5   0.833   9.695  12.495
   59   1H5*    A   6          1H5*        A   6   0.953   8.649  15.502
   60   2H5*    A   6          2H5*        A   6  -0.609   8.496  16.314
   61    H4*    A   6           H4*        A   6   0.742   9.634  17.873
   62    H3*    A   6           H3*        A   6  -1.374  11.152  17.197
   63    H1*    A   6           H1*        A   6   2.164  12.578  16.889
   64    H8     A   6           H8         A   6   0.874  12.518  13.312
   65   1H6     A   6          H61         A   6   6.939  12.343  11.965
   66   2H6     A   6          H62         A   6   5.329  12.379  11.230
   67    H2     A   6           H2         A   6   6.463  11.864  16.316
   68   1H2*    A   6          1H2*        A   6  -0.359  12.132  15.228
   69   2H2*    A   6          2H2*        A   6   0.003  13.431  16.383
   70   1H5*    G   7          1H5*        G   7   2.728  12.020  18.943
   71   2H5*    G   7          2H5*        G   7   2.077  12.311  20.557
   72    H4*    G   7           H4*        G   7   4.301  12.859  20.762
   73    H3*    G   7           H3*        G   7   2.544  14.950  21.089
   74    H1*    G   7           H1*        G   7   5.692  15.323  18.855
   75    H8     G   7           H8         G   7   2.389  15.160  16.853
   76    H1     G   7           H1         G   7   7.844  15.832  13.459
   77   1H2     G   7          1H2         G   7   9.497  15.591  14.751
   78   2H2     G   7          2H2         G   7   9.298  15.654  16.517
   79   1H2*    G   7          1H2*        G   7   2.738  15.936  19.004
   80   2H2*    G   7          2H2*        G   7   4.134  16.773  19.727
   81   1H5*    T   8          1H5*        T   8   7.033  15.679  20.402
   82   2H5*    T   8          2H5*        T   8   7.406  15.784  22.119
   83    H4*    T   8           H4*        T   8   9.335  16.491  21.287
   84    H3*    T   8           H3*        T   8   8.069  18.589  22.462
   85   1H2*    T   8          1H2*        T   8   6.964  19.422  20.611
   86   2H2*    T   8          2H2*        T   8   8.389  20.415  20.398
   87    H1*    T   8           H1*        T   8   9.387  19.044  18.775
   88    H3     T   8           H3         T   8   7.438  18.649  14.724
   89   1H5M    T   8          1H5M        T   8   3.385  17.558  17.441
   90   2H5M    T   8          2H5M        T   8   3.546  18.994  18.494
   91   3H5M    T   8          3H5M        T   8   3.203  19.192  16.781
   92    H6     T   8           H6         T   8   5.789  18.396  19.239
   93   1H5*    C   9          1H5*        C   9  11.432  19.258  19.392
   94   2H5*    C   9          2H5*        C   9  12.635  19.616  20.611
   95    H4*    C   9           H4*        C   9  13.671  20.242  18.698
   96    H3*    C   9           H3*        C   9  13.372  22.330  20.386
   97    H1*    C   9           H1*        C   9  12.061  22.762  16.706
   98   1H4     C   9          1H4         C   9   5.542  21.862  16.800
   99   2H4     C   9          2H4         C   9   6.037  21.523  15.160
  100    H5     C   9           H5         C   9   7.030  21.943  18.605
  101    H6     C   9           H6         C   9   9.332  22.331  19.265
  102   1H2*    C   9          1H2*        C   9  11.299  23.166  19.581
  103   2H2*    C   9          2H2*        C   9  12.388  24.114  18.559
  104   1H5*    G  10          1H5*        G  10  14.081  22.927  15.792
  105   2H5*    G  10          2H5*        G  10  15.798  23.196  15.988
  106    H4*    G  10           H4*        G  10  15.389  23.904  13.813
  107    H3*    G  10           H3*        G  10  16.412  25.815  15.440
  108    H1*    G  10           H1*        G  10  12.954  26.730  13.614
  109    H8     G  10           H8         G  10  12.770  25.883  17.398
  110    H1     G  10           H1         G  10   7.289  25.932  14.020
  111   1H2     G  10          1H2         G  10   7.819  26.178  11.891
  112   2H2     G  10          2H2         G  10   9.542  26.416  11.493
  113   1H2*    G  10          1H2*        G  10  14.395  26.875  16.205
  114   2H2*    G  10          2H2*        G  10  14.572  27.848  14.764
  115   1H5*    T  11          1H5*        T  11  14.109  26.534  11.939
  116   2H5*    T  11          2H5*        T  11  15.355  26.969  10.810
  117    H4*    T  11           H4*        T  11  13.526  27.291   9.603
  118    H3*    T  11           H3*        T  11  14.923  29.654  10.024
  119   1H2*    T  11          1H2*        T  11  13.661  30.315  11.888
  120   2H2*    T  11          2H2*        T  11  12.808  31.194  10.592
  121    H1*    T  11           H1*        T  11  11.077  29.600  10.497
  122    H3     T  11           H3         T  11   8.370  29.407  14.115
  123   1H5M    T  11          1H5M        T  11  12.483  28.441  16.655
  124   2H5M    T  11          2H5M        T  11  13.562  29.558  15.779
  125   3H5M    T  11          3H5M        T  11  12.306  30.212  16.809
  126    H6     T  11           H6         T  11  13.156  29.279  13.593
  127    H3T    T  11           H3T        T  11  12.574  29.363   8.510
  128   1H5*    A  12          1H5*        A  12   0.284  30.693  15.141
  129   2H5*    A  12          2H5*        A  12  -1.448  30.393  15.108
  130    H4*    A  12           H4*        A  12  -0.808  30.068  12.905
  131    H3*    A  12           H3*        A  12  -1.797  27.781  13.898
  132    H1*    A  12           H1*        A  12   1.888  27.578  12.562
  133    H8     A  12           H8         A  12   1.748  27.280  16.397
  134   1H6     A  12          H61         A  12   7.764  28.765  16.156
  135   2H6     A  12          H62         A  12   6.419  28.342  17.194
  136    H2     A  12           H2         A  12   6.165  28.942  12.046
  137    H5T    A  12           H5T        A  12  -0.384  29.263  16.828
  138   1H2*    A  12          1H2*        A  12   0.212  26.847  14.907
  139   2H2*    A  12          2H2*        A  12   0.410  26.078  13.359
  140   1H5*    C  13          1H5*        C  13   1.343  28.138  10.687
  141   2H5*    C  13          2H5*        C  13   0.206  28.084   9.355
  142    H4*    C  13           H4*        C  13   2.124  27.959   8.230
  143    H3*    C  13           H3*        C  13   0.792  25.534   8.041
  144    H1*    C  13           H1*        C  13   4.538  25.518   9.137
  145   1H4     C  13          1H4         C  13   4.701  24.363  15.509
  146   2H4     C  13          2H4         C  13   6.324  24.933  15.190
  147    H5     C  13           H5         C  13   2.885  24.687  14.220
  148    H6     C  13           H6         C  13   2.128  24.922  11.901
  149   1H2*    C  13          1H2*        C  13   1.732  24.602   9.932
  150   2H2*    C  13          2H2*        C  13   2.793  23.884   8.749
  151   1H5*    G  14          1H5*        G  14   5.083  25.948   7.341
  152   2H5*    G  14          2H5*        G  14   4.951  25.871   5.605
  153    H4*    G  14           H4*        G  14   7.235  25.541   5.970
  154    H3*    G  14           H3*        G  14   6.029  23.282   4.885
  155    H1*    G  14           H1*        G  14   8.083  22.915   8.268
  156    H8     G  14           H8         G  14   4.298  22.489   8.429
  157    H1     G  14           H1         G  14   7.475  22.271  14.006
  158   1H2     G  14          1H2         G  14   9.652  22.194  13.365
  159   2H2     G  14          2H2         G  14  10.068  22.745  11.716
  160   1H2*    G  14          1H2*        G  14   5.551  22.088   6.839
  161   2H2*    G  14          2H2*        G  14   7.166  21.474   6.646
  162   1H5*    A  15          1H5*        A  15   9.910  22.918   7.042
  163   2H5*    A  15          2H5*        A  15  10.961  22.741   5.631
  164    H4*    A  15           H4*        A  15  12.332  22.194   7.354
  165    H3*    A  15           H3*        A  15  11.886  20.132   5.569
  166    H1*    A  15           H1*        A  15  11.607  19.569   9.411
  167    H8     A  15           H8         A  15   8.309  19.972   7.521
  168   1H6     A  15          H61         A  15   5.903  18.902  13.229
  169   2H6     A  15          H62         A  15   5.306  19.289  11.617
  170    H2     A  15           H2         A  15  10.076  19.041  13.612
  171   1H2*    A  15          1H2*        A  15  10.140  19.120   6.745
  172   2H2*    A  15          2H2*        A  15  11.451  18.180   7.454
  173   1H5*    C  16          1H5*        C  16  13.461  19.249   9.854
  174   2H5*    C  16          2H5*        C  16  15.120  19.233   9.280
  175    H4*    C  16           H4*        C  16  15.313  18.257  11.328
  176    H3*    C  16           H3*        C  16  15.648  16.385   9.303
  177    H1*    C  16           H1*        C  16  13.365  15.660  12.366
  178   1H4     C  16          1H4         C  16   7.132  15.827   9.821
  179   2H4     C  16          2H4         C  16   7.107  15.431  11.541
  180    H5     C  16           H5         C  16   9.351  16.383   8.739
  181    H6     C  16           H6         C  16  11.716  16.560   9.170
  182   1H2*    C  16          1H2*        C  16  13.491  15.571   9.314
  183   2H2*    C  16          2H2*        C  16  14.119  14.412  10.490
  184   1H5*    G  17          1H5*        G  17  14.949  14.972  13.733
  185   2H5*    G  17          2H5*        G  17  16.713  14.913  13.816
  186    H4*    G  17           H4*        G  17  16.126  13.922  15.690
  187    H3*    G  17           H3*        G  17  17.411  12.041  14.198
  188    H1*    G  17           H1*        G  17  13.717  11.122  15.268
  189    H8     G  17           H8         G  17  13.893  11.943  11.548
  190    H1     G  17           H1         G  17   8.087  12.269  14.279
  191   1H2     G  17          1H2         G  17   8.337  12.275  16.534
  192   2H2     G  17          2H2         G  17   9.954  11.980  17.197
  193   1H2*    G  17          1H2*        G  17  15.611  11.339  12.919
  194   2H2*    G  17          2H2*        G  17  15.483  10.101  14.170
  195   1H5*    G  18          1H5*        G  18  14.417  11.028  17.693
  196   2H5*    G  18          2H5*        G  18  15.630  10.439  18.847
  197    H4*    G  18           H4*        G  18  13.712   9.769  19.815
  198    H3*    G  18           H3*        G  18  15.205   7.679  19.085
  199    H1*    G  18           H1*        G  18  11.499   7.690  17.862
  200    H8     G  18           H8         G  18  13.935   8.625  14.997
  201    H1     G  18           H1         G  18   7.705   9.166  13.458
  202   1H2     G  18          1H2         G  18   6.497   8.888  15.314
  203   2H2     G  18          2H2         G  18   7.333   8.585  16.846
  204   1H2*    G  18          1H2*        G  18  14.322   7.548  16.867
  205   2H2*    G  18          2H2*        G  18  13.320   6.289  17.613
  206   1H5*    A  19          1H5*        A  19  10.545   7.432  19.670
  207   2H5*    A  19          2H5*        A  19  10.721   6.947  21.339
  208    H4*    A  19           H4*        A  19   8.488   6.530  20.861
  209    H3*    A  19           H3*        A  19   9.776   4.151  21.402
  210    H1*    A  19           H1*        A  19   7.801   4.515  18.034
  211    H8     A  19           H8         A  19  11.641   4.509  17.692
  212   1H6     A  19          H61         A  19  10.172   5.910  11.717
  213   2H6     A  19          H62         A  19  11.624   5.586  12.662
  214    H2     A  19           H2         A  19   6.618   5.824  13.910
  215   1H2*    A  19          1H2*        A  19  10.461   3.684  19.287
  216   2H2*    A  19          2H2*        A  19   8.962   2.770  19.187
  217   1H5*    A  20          1H5*        A  20   5.877   4.095  19.020
  218   2H5*    A  20          2H5*        A  20   4.845   3.495  20.328
  219    H4*    A  20           H4*        A  20   3.494   3.333  18.533
  220    H3*    A  20           H3*        A  20   4.075   0.915  19.580
  221    H1*    A  20           H1*        A  20   4.783   1.521  15.739
  222    H8     A  20           H8         A  20   7.927   1.193  18.002
  223   1H6     A  20          H61         A  20  10.973   2.282  12.703
  224   2H6     A  20          H62         A  20  11.214   1.876  14.427
  225    H2     A  20           H2         A  20   6.819   2.660  11.845
  226   1H2*    A  20          1H2*        A  20   5.921   0.427  18.347
  227   2H2*    A  20          2H2*        A  20   4.790  -0.340  17.240
  228   1H5*    G  21          1H5*        G  21   2.603   1.730  15.357
  229   2H5*    G  21          2H5*        G  21   0.929   1.267  15.590
  230    H4*    G  21           H4*        G  21   1.175   1.343  13.292
  231    H3*    G  21           H3*        G  21   0.497  -1.146  14.329
  232    H1*    G  21           H1*        G  21   3.464  -0.898  11.766
  233    H8     G  21           H8         G  21   4.456  -1.454  15.441
  234    H1     G  21           H1         G  21   9.352  -0.376  11.399
  235   1H2     G  21          1H2         G  21   8.411  -0.073   9.301
  236   2H2     G  21          2H2         G  21   6.644  -0.123   9.165
  237   1H2*    G  21          1H2*        G  21   2.659  -2.014  14.448
  238   2H2*    G  21          2H2*        G  21   2.203  -2.640  12.880
  239   1H5*    C  22          1H5*        C  22   2.242  -0.223  10.470
  240   2H5*    C  22          2H5*        C  22   0.840  -0.297   9.439
  241    H4*    C  22           H4*        C  22   2.557  -0.175   7.939
  242    H3*    C  22           H3*        C  22   1.145  -2.511   7.746
  243    H1*    C  22           H1*        C  22   5.018  -2.582   7.874
  244   1H4     C  22          1H4         C  22   6.860  -4.298  13.881
  245   2H4     C  22          2H4         C  22   8.281  -4.063  12.852
  246    H5     C  22           H5         C  22   4.611  -4.183  13.032
  247    H6     C  22           H6         C  22   3.355  -3.247  11.114
  248    H3T    C  22           H3T        C  22   3.382  -1.717   6.291
  249   1H2*    C  22          1H2*        C  22   2.524  -3.818   9.131
  250   2H2*    C  22          2H2*        C  22   3.307  -4.189   7.580
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  16.509  -6.389   9.998
    2   2H5*    G   1          2H5*        G   1  18.122  -6.050   9.367
    3    H4*    G   1           H4*        G   1  16.739  -5.493   7.617
    4    H3*    G   1           H3*        G   1  18.024  -3.196   8.446
    5    H1*    G   1           H1*        G   1  14.184  -3.179   8.072
    6    H8     G   1           H8         G   1  15.234  -3.244  11.751
    7    H1     G   1           H1         G   1   8.976  -4.142  10.716
    8   1H2     G   1          1H2         G   1   8.634  -4.220   8.583
    9   2H2     G   1          2H2         G   1   9.853  -4.450   7.362
   10    H5T    G   1           H5T        G   1  18.267  -4.504  10.885
   11   1H2*    G   1          1H2*        G   1  16.454  -2.725  10.086
   12   2H2*    G   1          2H2*        G   1  15.920  -1.616   8.812
   13   1H5*    C   2          1H5*        C   2  14.109  -3.201   5.974
   14   2H5*    C   2          2H5*        C   2  14.885  -2.744   4.470
   15    H4*    C   2           H4*        C   2  12.711  -2.385   4.006
   16    H3*    C   2           H3*        C   2  14.049  -0.041   3.975
   17    H1*    C   2           H1*        C   2  10.851  -0.206   6.169
   18   1H4     C   2          1H4         C   2  12.934   0.083  12.245
   19   2H4     C   2          2H4         C   2  11.200  -0.292  12.356
   20    H5     C   2           H5         C   2  14.225  -0.102  10.327
   21    H6     C   2           H6         C   2  14.121  -0.410   7.927
   22   1H2*    C   2          1H2*        C   2  13.763   0.646   6.160
   23   2H2*    C   2          2H2*        C   2  12.325   1.447   5.559
   24   1H5*    T   3          1H5*        T   3   9.478  -0.175   4.653
   25   2H5*    T   3          2H5*        T   3   9.007   0.252   3.007
   26    H4*    T   3           H4*        T   3   7.023   0.653   4.163
   27    H3*    T   3           H3*        T   3   8.219   2.928   3.215
   28   1H2*    T   3          1H2*        T   3   9.227   3.661   5.166
   29   2H2*    T   3          2H2*        T   3   7.639   4.403   5.498
   30    H1*    T   3           H1*        T   3   6.938   2.738   6.872
   31    H3     T   3           H3         T   3   9.037   2.810  10.791
   32   1H5M    T   3          1H5M        T   3  12.982   4.058   8.317
   33   2H5M    T   3          2H5M        T   3  13.241   2.302   8.485
   34   3H5M    T   3          3H5M        T   3  12.873   3.021   6.903
   35    H6     T   3           H6         T   3  10.662   2.638   6.269
   36   1H5*    T   4          1H5*        T   4   5.079   2.810   6.559
   37   2H5*    T   4          2H5*        T   4   3.735   2.888   5.473
   38    H4*    T   4           H4*        T   4   2.704   3.228   7.474
   39    H3*    T   4           H3*        T   4   2.601   5.591   6.087
   40   1H2*    T   4          1H2*        T   4   4.515   6.547   6.928
   41   2H2*    T   4          2H2*        T   4   3.415   7.206   8.154
   42    H1*    T   4           H1*        T   4   3.906   5.585   9.737
   43    H3     T   4           H3         T   4   7.879   5.865  11.665
   44   1H5M    T   4          1H5M        T   4   9.492   7.413   7.207
   45   2H5M    T   4          2H5M        T   4   9.964   5.710   7.410
   46   3H5M    T   4          3H5M        T   4   8.679   6.139   6.281
   47    H6     T   4           H6         T   4   6.518   6.024   7.052
   48   1H5*    C   5          1H5*        C   5   2.129   5.535  10.814
   49   2H5*    C   5          2H5*        C   5   0.416   5.315  10.542
   50    H4*    C   5           H4*        C   5   0.497   5.838  12.779
   51    H3*    C   5           H3*        C   5  -0.697   7.848  11.359
   52    H1*    C   5           H1*        C   5   2.289   8.767  13.689
   53   1H4     C   5          1H4         C   5   7.546   9.307   9.690
   54   2H4     C   5          2H4         C   5   8.110   9.370  11.357
   55    H5     C   5           H5         C   5   5.311   8.909   9.133
   56    H6     C   5           H6         C   5   3.020   8.554  10.025
   57   1H2*    C   5          1H2*        C   5   1.200   9.185  10.923
   58   2H2*    C   5          2H2*        C   5   0.795   9.932  12.478
   59   1H5*    A   6          1H5*        A   6   1.091   9.098  15.358
   60   2H5*    A   6          2H5*        A   6  -0.452   8.950  16.231
   61    H4*    A   6           H4*        A   6   0.652  10.088  17.753
   62    H3*    A   6           H3*        A   6  -1.105  11.821  16.637
   63    H1*    A   6           H1*        A   6   2.671  12.935  16.663
   64    H8     A   6           H8         A   6   1.508  12.424  13.120
   65   1H6     A   6          H61         A   6   7.728  12.276  12.147
   66   2H6     A   6          H62         A   6   6.275  12.419  11.185
   67    H2     A   6           H2         A   6   7.010  12.597  16.295
   68   1H2*    A   6          1H2*        A   6   0.295  12.475  14.874
   69   2H2*    A   6          2H2*        A   6   0.611  13.840  15.953
   70   1H5*    G   7          1H5*        G   7   2.716  12.464  18.724
   71   2H5*    G   7          2H5*        G   7   1.942  12.772  20.272
   72    H4*    G   7           H4*        G   7   4.067  13.343  20.790
   73    H3*    G   7           H3*        G   7   2.345  15.433  20.786
   74    H1*    G   7           H1*        G   7   5.689  15.856  18.725
   75    H8     G   7           H8         G   7   2.513  15.713  16.618
   76    H1     G   7           H1         G   7   8.037  16.186  13.379
   77   1H2     G   7          1H2         G   7   9.710  15.798  14.695
   78   2H2     G   7          2H2         G   7   9.439  15.288  16.351
   79   1H2*    G   7          1H2*        G   7   2.727  16.253  18.627
   80   2H2*    G   7          2H2*        G   7   4.000  17.193  19.423
   81   1H5*    T   8          1H5*        T   8   6.575  15.658  20.472
   82   2H5*    T   8          2H5*        T   8   6.883  15.994  22.135
   83    H4*    T   8           H4*        T   8   8.919  16.214  21.105
   84    H3*    T   8           H3*        T   8   8.076  18.449  22.280
   85   1H2*    T   8          1H2*        T   8   7.025  19.498  20.507
   86   2H2*    T   8          2H2*        T   8   8.604  20.228  20.178
   87    H1*    T   8           H1*        T   8   9.209  18.723  18.593
   88    H3     T   8           H3         T   8   7.092  19.104  14.726
   89   1H5M    T   8          1H5M        T   8   3.063  20.145  17.139
   90   2H5M    T   8          2H5M        T   8   2.901  18.390  17.088
   91   3H5M    T   8          3H5M        T   8   3.244  19.216  18.621
   92    H6     T   8           H6         T   8   5.532  18.853  19.255
   93   1H5*    C   9          1H5*        C   9  11.410  18.842  18.946
   94   2H5*    C   9          2H5*        C   9  12.715  18.911  20.112
   95    H4*    C   9           H4*        C   9  13.706  19.773  18.163
   96    H3*    C   9           H3*        C   9  13.553  21.805  20.045
   97    H1*    C   9           H1*        C   9  12.014  22.387  16.554
   98   1H4     C   9          1H4         C   9   5.453  22.424  17.183
   99   2H4     C   9          2H4         C   9   5.778  22.544  15.469
  100    H5     C   9           H5         C   9   7.058  21.995  18.825
  101    H6     C   9           H6         C   9   9.475  22.085  19.301
  102   1H2*    C   9          1H2*        C   9  11.537  22.765  19.478
  103   2H2*    C   9          2H2*        C   9  12.505  23.667  18.304
  104   1H5*    G  10          1H5*        G  10  14.144  22.568  15.384
  105   2H5*    G  10          2H5*        G  10  15.874  22.883  15.542
  106    H4*    G  10           H4*        G  10  15.346  23.795  13.448
  107    H3*    G  10           H3*        G  10  16.315  25.528  15.260
  108    H1*    G  10           H1*        G  10  12.861  26.415  13.520
  109    H8     G  10           H8         G  10  12.563  25.494  17.225
  110    H1     G  10           H1         G  10   7.097  25.933  13.834
  111   1H2     G  10          1H2         G  10   7.550  26.405  11.838
  112   2H2     G  10          2H2         G  10   9.151  26.971  11.400
  113   1H2*    G  10          1H2*        G  10  14.279  26.393  16.155
  114   2H2*    G  10          2H2*        G  10  14.389  27.526  14.818
  115   1H5*    T  11          1H5*        T  11  13.856  26.409  11.708
  116   2H5*    T  11          2H5*        T  11  15.066  26.959  10.648
  117    H4*    T  11           H4*        T  11  13.160  27.589   9.545
  118    H3*    T  11           H3*        T  11  14.473  29.847  10.224
  119   1H2*    T  11          1H2*        T  11  13.426  30.334  12.276
  120   2H2*    T  11          2H2*        T  11  12.277  31.211  11.250
  121    H1*    T  11           H1*        T  11  10.731  29.550  11.103
  122    H3     T  11           H3         T  11   8.224  29.090  14.704
  123   1H5M    T  11          1H5M        T  11  12.983  28.142  16.695
  124   2H5M    T  11          2H5M        T  11  13.136  29.904  16.392
  125   3H5M    T  11          3H5M        T  11  11.926  29.295  17.525
  126    H6     T  11           H6         T  11  12.989  28.962  13.961
  127    H3T    T  11           H3T        T  11  12.171  29.385   8.791
  128   1H5*    A  12          1H5*        A  12   0.168  31.187  15.354
  129   2H5*    A  12          2H5*        A  12  -1.539  31.005  15.016
  130    H4*    A  12           H4*        A  12  -0.640  30.872  12.938
  131    H3*    A  12           H3*        A  12  -1.908  28.543  13.611
  132    H1*    A  12           H1*        A  12   1.836  28.189  12.479
  133    H8     A  12           H8         A  12   1.237  27.737  16.257
  134   1H6     A  12          H61         A  12   7.321  27.824  16.540
  135   2H6     A  12          H62         A  12   5.895  27.977  17.546
  136    H2     A  12           H2         A  12   6.316  28.557  12.454
  137    H5T    A  12           H5T        A  12  -1.259  29.684  16.647
  138   1H2*    A  12          1H2*        A  12  -0.110  27.453  14.646
  139   2H2*    A  12          2H2*        A  12   0.122  26.777  13.029
  140   1H5*    C  13          1H5*        C  13   1.448  28.581  10.432
  141   2H5*    C  13          2H5*        C  13   0.358  28.613   9.061
  142    H4*    C  13           H4*        C  13   2.357  28.098   8.020
  143    H3*    C  13           H3*        C  13   0.665  26.002   7.851
  144    H1*    C  13           H1*        C  13   4.206  25.331   9.206
  145   1H4     C  13          1H4         C  13   4.196  24.518  15.743
  146   2H4     C  13          2H4         C  13   5.799  25.078  15.295
  147    H5     C  13           H5         C  13   2.295  24.859  14.251
  148    H6     C  13           H6         C  13   1.676  25.256  11.898
  149   1H2*    C  13          1H2*        C  13   1.266  24.998   9.885
  150   2H2*    C  13          2H2*        C  13   2.268  24.028   8.826
  151   1H5*    G  14          1H5*        G  14   5.287  25.785   7.129
  152   2H5*    G  14          2H5*        G  14   5.160  25.608   5.381
  153    H4*    G  14           H4*        G  14   7.409  25.086   5.885
  154    H3*    G  14           H3*        G  14   6.098  22.951   4.738
  155    H1*    G  14           H1*        G  14   7.955  22.513   8.133
  156    H8     G  14           H8         G  14   4.090  22.596   8.343
  157    H1     G  14           H1         G  14   7.238  22.184  13.948
  158   1H2     G  14          1H2         G  14   9.475  22.450  13.433
  159   2H2     G  14          2H2         G  14   9.949  22.579  11.734
  160   1H2*    G  14          1H2*        G  14   5.356  21.965   6.675
  161   2H2*    G  14          2H2*        G  14   6.918  21.104   6.610
  162   1H5*    A  15          1H5*        A  15   9.875  22.831   7.290
  163   2H5*    A  15          2H5*        A  15  11.002  22.587   5.965
  164    H4*    A  15           H4*        A  15  12.314  22.159   7.824
  165    H3*    A  15           H3*        A  15  11.984  20.061   6.064
  166    H1*    A  15           H1*        A  15  11.474  19.397   9.886
  167    H8     A  15           H8         A  15   8.330  19.851   7.701
  168   1H6     A  15          H61         A  15   5.439  19.172  13.173
  169   2H6     A  15          H62         A  15   5.041  18.960  11.472
  170    H2     A  15           H2         A  15   9.560  18.959  13.951
  171   1H2*    A  15          1H2*        A  15  10.219  19.058   7.163
  172   2H2*    A  15          2H2*        A  15  11.509  18.119   7.919
  173   1H5*    C  16          1H5*        C  16  13.505  19.165  10.497
  174   2H5*    C  16          2H5*        C  16  15.166  19.313   9.915
  175    H4*    C  16           H4*        C  16  15.575  18.314  11.867
  176    H3*    C  16           H3*        C  16  15.942  16.577   9.768
  177    H1*    C  16           H1*        C  16  13.662  15.448  12.816
  178   1H4     C  16          1H4         C  16   7.792  15.950   9.872
  179   2H4     C  16          2H4         C  16   7.430  16.066  11.583
  180    H5     C  16           H5         C  16   9.970  16.185   8.942
  181    H6     C  16           H6         C  16  12.273  16.298   9.448
  182   1H2*    C  16          1H2*        C  16  13.989  15.430   9.804
  183   2H2*    C  16          2H2*        C  16  14.696  14.420  11.041
  184   1H5*    G  17          1H5*        G  17  15.677  15.060  14.064
  185   2H5*    G  17          2H5*        G  17  17.441  14.882  14.253
  186    H4*    G  17           H4*        G  17  16.730  13.880  16.136
  187    H3*    G  17           H3*        G  17  17.969  12.203  14.549
  188    H1*    G  17           H1*        G  17  14.202  11.205  15.438
  189    H8     G  17           H8         G  17  14.715  12.359  11.839
  190    H1     G  17           H1         G  17   8.716  12.446  14.211
  191   1H2     G  17          1H2         G  17   9.045  12.836  16.631
  192   2H2     G  17          2H2         G  17  10.730  12.571  17.083
  193   1H2*    G  17          1H2*        G  17  16.138  11.495  13.182
  194   2H2*    G  17          2H2*        G  17  15.974  10.212  14.378
  195   1H5*    G  18          1H5*        G  18  14.724  11.273  17.523
  196   2H5*    G  18          2H5*        G  18  15.745  10.628  18.777
  197    H4*    G  18           H4*        G  18  13.658  10.284  19.609
  198    H3*    G  18           H3*        G  18  15.035   7.996  19.307
  199    H1*    G  18           H1*        G  18  11.470   8.174  17.961
  200    H8     G  18           H8         G  18  14.016   8.428  15.075
  201    H1     G  18           H1         G  18   7.949   8.741  13.116
  202   1H2     G  18          1H2         G  18   6.565   8.968  14.933
  203   2H2     G  18          2H2         G  18   7.319   8.793  16.530
  204   1H2*    G  18          1H2*        G  18  14.338   7.679  17.044
  205   2H2*    G  18          2H2*        G  18  13.241   6.556  17.857
  206   1H5*    A  19          1H5*        A  19  10.232   7.478  19.676
  207   2H5*    A  19          2H5*        A  19  10.505   7.182  21.365
  208    H4*    A  19           H4*        A  19   8.306   6.294  21.057
  209    H3*    A  19           H3*        A  19   9.941   4.158  21.511
  210    H1*    A  19           H1*        A  19   7.974   4.232  18.033
  211    H8     A  19           H8         A  19  11.735   5.009  17.774
  212   1H6     A  19          H61         A  19  10.272   5.980  11.813
  213   2H6     A  19          H62         A  19  11.597   5.712  12.939
  214    H2     A  19           H2         A  19   6.528   5.668  14.062
  215   1H2*    A  19          1H2*        A  19  10.652   3.771  19.283
  216   2H2*    A  19          2H2*        A  19   9.240   2.722  19.255
  217   1H5*    A  20          1H5*        A  20   6.236   3.885  19.211
  218   2H5*    A  20          2H5*        A  20   5.343   3.237  20.537
  219    H4*    A  20           H4*        A  20   3.892   3.008  18.827
  220    H3*    A  20           H3*        A  20   4.531   0.555  19.708
  221    H1*    A  20           H1*        A  20   4.965   1.267  15.875
  222    H8     A  20           H8         A  20   8.207   1.461  17.891
  223   1H6     A  20          H61         A  20  10.788   2.695  12.329
  224   2H6     A  20          H62         A  20  11.327   2.511  13.999
  225    H2     A  20           H2         A  20   6.685   2.564  11.732
  226   1H2*    A  20          1H2*        A  20   6.464   0.244  18.297
  227   2H2*    A  20          2H2*        A  20   5.282  -0.593  17.324
  228   1H5*    G  21          1H5*        G  21   2.919   1.467  15.449
  229   2H5*    G  21          2H5*        G  21   1.267   1.086  15.834
  230    H4*    G  21           H4*        G  21   1.157   1.179  13.566
  231    H3*    G  21           H3*        G  21   0.630  -1.353  14.419
  232    H1*    G  21           H1*        G  21   3.578  -1.027  11.809
  233    H8     G  21           H8         G  21   4.731  -1.359  15.468
  234    H1     G  21           H1         G  21   9.237  -0.792  10.869
  235   1H2     G  21          1H2         G  21   8.177  -0.735   8.935
  236   2H2     G  21          2H2         G  21   6.401  -0.636   8.888
  237   1H2*    G  21          1H2*        G  21   2.801  -2.223  14.434
  238   2H2*    G  21          2H2*        G  21   2.402  -2.710  12.800
  239   1H5*    C  22          1H5*        C  22   2.389  -0.623  10.279
  240   2H5*    C  22          2H5*        C  22   0.963  -0.821   9.307
  241    H4*    C  22           H4*        C  22   2.637  -1.053   7.746
  242    H3*    C  22           H3*        C  22   1.019  -3.188   7.963
  243    H1*    C  22           H1*        C  22   4.823  -3.887   8.050
  244   1H4     C  22          1H4         C  22   6.844  -4.785  14.203
  245   2H4     C  22          2H4         C  22   8.276  -4.698  13.160
  246    H5     C  22           H5         C  22   4.599  -4.585  13.391
  247    H6     C  22           H6         C  22   3.270  -4.037  11.422
  248    H3T    C  22           H3T        C  22   1.981  -2.573   6.032
  249   1H2*    C  22          1H2*        C  22   2.313  -4.389   9.600
  250   2H2*    C  22          2H2*        C  22   2.887  -5.121   8.070
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  16.533  -6.810  10.467
    2   2H5*    G   1          2H5*        G   1  18.173  -6.333   9.983
    3    H4*    G   1           H4*        G   1  16.916  -5.899   8.107
    4    H3*    G   1           H3*        G   1  18.127  -3.681   9.047
    5    H1*    G   1           H1*        G   1  14.181  -3.424   8.699
    6    H8     G   1           H8         G   1  15.305  -3.684  12.299
    7    H1     G   1           H1         G   1   8.993  -4.056  11.122
    8   1H2     G   1          1H2         G   1   8.684  -3.741   9.130
    9   2H2     G   1          2H2         G   1   9.828  -4.195   7.879
   10    H5T    G   1           H5T        G   1  18.086  -4.729  11.332
   11   1H2*    G   1          1H2*        G   1  16.466  -2.969  10.560
   12   2H2*    G   1          2H2*        G   1  15.900  -2.029   9.191
   13   1H5*    C   2          1H5*        C   2  14.314  -3.820   6.518
   14   2H5*    C   2          2H5*        C   2  15.104  -3.408   5.011
   15    H4*    C   2           H4*        C   2  12.796  -2.911   4.629
   16    H3*    C   2           H3*        C   2  14.566  -0.843   4.431
   17    H1*    C   2           H1*        C   2  11.305  -0.463   6.281
   18   1H4     C   2          1H4         C   2  12.530  -0.609  12.793
   19   2H4     C   2          2H4         C   2  10.794  -0.519  12.590
   20    H5     C   2           H5         C   2  14.071  -0.241  10.886
   21    H6     C   2           H6         C   2  14.249  -0.419   8.537
   22   1H2*    C   2          1H2*        C   2  14.317  -0.008   6.584
   23   2H2*    C   2          2H2*        C   2  13.096   1.018   5.835
   24   1H5*    T   3          1H5*        T   3   9.823  -0.468   4.820
   25   2H5*    T   3          2H5*        T   3   9.595  -0.084   3.139
   26    H4*    T   3           H4*        T   3   7.565   0.487   3.985
   27    H3*    T   3           H3*        T   3   8.844   2.615   2.971
   28   1H2*    T   3          1H2*        T   3   9.886   3.379   4.917
   29   2H2*    T   3          2H2*        T   3   8.433   4.365   5.092
   30    H1*    T   3           H1*        T   3   7.414   2.948   6.574
   31    H3     T   3           H3         T   3   9.169   2.777  10.671
   32   1H5M    T   3          1H5M        T   3  13.302   2.927   7.118
   33   2H5M    T   3          2H5M        T   3  13.326   3.679   8.722
   34   3H5M    T   3          3H5M        T   3  13.552   1.937   8.567
   35    H6     T   3           H6         T   3  11.133   2.597   6.279
   36   1H5*    T   4          1H5*        T   4   5.553   2.595   6.046
   37   2H5*    T   4          2H5*        T   4   4.249   2.840   4.891
   38    H4*    T   4           H4*        T   4   3.187   2.944   6.972
   39    H3*    T   4           H3*        T   4   3.032   5.277   5.604
   40   1H2*    T   4          1H2*        T   4   4.865   6.326   6.473
   41   2H2*    T   4          2H2*        T   4   3.781   6.943   7.738
   42    H1*    T   4           H1*        T   4   4.160   5.166   9.227
   43    H3     T   4           H3         T   4   8.199   5.436  11.265
   44   1H5M    T   4          1H5M        T   4   9.013   6.811   6.032
   45   2H5M    T   4          2H5M        T   4   9.920   7.482   7.385
   46   3H5M    T   4          3H5M        T   4  10.210   5.814   6.899
   47    H6     T   4           H6         T   4   6.823   5.982   6.682
   48   1H5*    C   5          1H5*        C   5   2.417   5.424  10.396
   49   2H5*    C   5          2H5*        C   5   0.688   5.223  10.064
   50    H4*    C   5           H4*        C   5   0.643   5.665  12.313
   51    H3*    C   5           H3*        C   5  -0.311   7.797  10.923
   52    H1*    C   5           H1*        C   5   2.604   8.443  13.492
   53   1H4     C   5          1H4         C   5   7.760   9.261   9.438
   54   2H4     C   5          2H4         C   5   8.383   9.406  11.065
   55    H5     C   5           H5         C   5   5.644   8.425   8.936
   56    H6     C   5           H6         C   5   3.418   8.014   9.786
   57   1H2*    C   5          1H2*        C   5   1.608   9.102  10.768
   58   2H2*    C   5          2H2*        C   5   1.152   9.693  12.393
   59   1H5*    A   6          1H5*        A   6   1.031   9.101  15.419
   60   2H5*    A   6          2H5*        A   6  -0.621   8.815  15.994
   61    H4*    A   6           H4*        A   6   0.391  10.000  17.691
   62    H3*    A   6           H3*        A   6  -1.598  11.603  16.742
   63    H1*    A   6           H1*        A   6   1.993  13.040  16.703
   64    H8     A   6           H8         A   6   0.907  12.685  13.169
   65   1H6     A   6          H61         A   6   7.110  12.198  12.164
   66   2H6     A   6          H62         A   6   5.607  12.434  11.284
   67    H2     A   6           H2         A   6   6.424  11.684  16.296
   68   1H2*    A   6          1H2*        A   6  -0.377  12.446  14.921
   69   2H2*    A   6          2H2*        A   6  -0.092  13.797  16.021
   70   1H5*    G   7          1H5*        G   7   2.301  12.369  18.686
   71   2H5*    G   7          2H5*        G   7   1.624  12.559  20.296
   72    H4*    G   7           H4*        G   7   3.930  12.932  20.616
   73    H3*    G   7           H3*        G   7   2.485  15.155  21.096
   74    H1*    G   7           H1*        G   7   5.547  15.259  18.632
   75    H8     G   7           H8         G   7   2.185  15.603  16.837
   76    H1     G   7           H1         G   7   7.531  15.722  13.153
   77   1H2     G   7          1H2         G   7   9.189  15.050  14.300
   78   2H2     G   7          2H2         G   7   9.034  14.798  16.013
   79   1H2*    G   7          1H2*        G   7   2.609  16.035  18.909
   80   2H2*    G   7          2H2*        G   7   4.025  16.881  19.538
   81   1H5*    T   8          1H5*        T   8   6.848  15.335  20.213
   82   2H5*    T   8          2H5*        T   8   7.313  15.479  21.918
   83    H4*    T   8           H4*        T   8   9.270  15.809  20.841
   84    H3*    T   8           H3*        T   8   8.316  18.032  22.112
   85   1H2*    T   8          1H2*        T   8   7.270  19.109  20.325
   86   2H2*    T   8          2H2*        T   8   8.867  19.813  20.050
   87    H1*    T   8           H1*        T   8   9.414  18.360  18.376
   88    H3     T   8           H3         T   8   7.210  18.756  14.581
   89   1H5M    T   8          1H5M        T   8   3.298  19.774  17.056
   90   2H5M    T   8          2H5M        T   8   3.133  18.020  17.087
   91   3H5M    T   8          3H5M        T   8   3.552  18.911  18.585
   92    H6     T   8           H6         T   8   5.736  18.221  19.129
   93   1H5*    C   9          1H5*        C   9  11.416  18.639  18.677
   94   2H5*    C   9          2H5*        C   9  12.829  18.589  19.750
   95    H4*    C   9           H4*        C   9  13.733  19.433  17.890
   96    H3*    C   9           H3*        C   9  13.698  21.322  19.839
   97    H1*    C   9           H1*        C   9  12.106  22.260  16.418
   98   1H4     C   9          1H4         C   9   5.562  21.755  17.077
   99   2H4     C   9          2H4         C   9   5.936  22.074  15.394
  100    H5     C   9           H5         C   9   7.246  21.534  18.757
  101    H6     C   9           H6         C   9   9.675  21.511  19.161
  102   1H2*    C   9          1H2*        C   9  11.617  22.255  19.389
  103   2H2*    C   9          2H2*        C   9  12.577  23.357  18.404
  104   1H5*    G  10          1H5*        G  10  14.247  22.575  15.244
  105   2H5*    G  10          2H5*        G  10  15.976  22.692  15.404
  106    H4*    G  10           H4*        G  10  15.557  23.727  13.381
  107    H3*    G  10           H3*        G  10  16.588  25.626  14.999
  108    H1*    G  10           H1*        G  10  12.967  26.382  13.526
  109    H8     G  10           H8         G  10  13.019  24.991  17.201
  110    H1     G  10           H1         G  10   7.306  25.918  14.337
  111   1H2     G  10          1H2         G  10   7.733  26.445  12.202
  112   2H2     G  10          2H2         G  10   9.414  26.615  11.697
  113   1H2*    G  10          1H2*        G  10  14.553  26.397  16.021
  114   2H2*    G  10          2H2*        G  10  14.579  27.511  14.654
  115   1H5*    T  11          1H5*        T  11  13.751  26.364  11.534
  116   2H5*    T  11          2H5*        T  11  14.984  26.882  10.403
  117    H4*    T  11           H4*        T  11  12.980  27.552   9.392
  118    H3*    T  11           H3*        T  11  14.668  29.647  10.039
  119   1H2*    T  11          1H2*        T  11  13.703  30.080  12.146
  120   2H2*    T  11          2H2*        T  11  12.823  31.257  11.136
  121    H1*    T  11           H1*        T  11  10.986  29.779  10.769
  122    H3     T  11           H3         T  11   8.216  29.540  14.477
  123   1H5M    T  11          1H5M        T  11  13.229  28.416  16.135
  124   2H5M    T  11          2H5M        T  11  12.343  29.671  17.007
  125   3H5M    T  11          3H5M        T  11  11.752  27.998  17.037
  126    H6     T  11           H6         T  11  12.887  28.756  13.762
  127    H3T    T  11           H3T        T  11  13.633  30.070   8.264
  128   1H5*    A  12          1H5*        A  12  -0.090  30.975  15.891
  129   2H5*    A  12          2H5*        A  12  -1.786  30.599  15.745
  130    H4*    A  12           H4*        A  12  -1.180  30.433  13.699
  131    H3*    A  12           H3*        A  12  -1.879  27.915  14.325
  132    H1*    A  12           H1*        A  12   1.913  28.301  13.081
  133    H8     A  12           H8         A  12   1.338  27.872  16.876
  134   1H6     A  12          H61         A  12   7.554  28.768  16.901
  135   2H6     A  12          H62         A  12   6.121  28.307  17.853
  136    H2     A  12           H2         A  12   6.121  29.157  12.791
  137    H5T    A  12           H5T        A  12  -0.558  29.628  17.508
  138   1H2*    A  12          1H2*        A  12   0.134  27.048  15.110
  139   2H2*    A  12          2H2*        A  12   0.419  26.657  13.407
  140   1H5*    C  13          1H5*        C  13   1.345  28.947  11.021
  141   2H5*    C  13          2H5*        C  13   0.232  28.884   9.664
  142    H4*    C  13           H4*        C  13   2.271  28.557   8.571
  143    H3*    C  13           H3*        C  13   0.713  26.292   8.560
  144    H1*    C  13           H1*        C  13   4.412  25.996   9.729
  145   1H4     C  13          1H4         C  13   4.411  24.453  15.990
  146   2H4     C  13          2H4         C  13   6.026  25.111  15.744
  147    H5     C  13           H5         C  13   2.568  24.906  14.651
  148    H6     C  13           H6         C  13   1.906  25.431  12.360
  149   1H2*    C  13          1H2*        C  13   1.549  25.314  10.414
  150   2H2*    C  13          2H2*        C  13   2.696  24.531   9.327
  151   1H5*    G  14          1H5*        G  14   5.111  26.103   7.832
  152   2H5*    G  14          2H5*        G  14   4.789  26.237   6.130
  153    H4*    G  14           H4*        G  14   7.007  25.674   6.095
  154    H3*    G  14           H3*        G  14   5.648  23.533   5.016
  155    H1*    G  14           H1*        G  14   7.868  22.838   8.184
  156    H8     G  14           H8         G  14   4.040  22.900   8.658
  157    H1     G  14           H1         G  14   7.637  22.505  13.968
  158   1H2     G  14          1H2         G  14   9.806  22.623  13.315
  159   2H2     G  14          2H2         G  14  10.202  23.245  11.731
  160   1H2*    G  14          1H2*        G  14   5.129  22.398   6.942
  161   2H2*    G  14          2H2*        G  14   6.629  21.552   6.661
  162   1H5*    A  15          1H5*        A  15   9.645  23.197   7.070
  163   2H5*    A  15          2H5*        A  15  10.645  23.060   5.619
  164    H4*    A  15           H4*        A  15  12.123  22.531   7.198
  165    H3*    A  15           H3*        A  15  11.635  20.382   5.627
  166    H1*    A  15           H1*        A  15  11.303  19.934   9.502
  167    H8     A  15           H8         A  15   8.073  20.274   7.490
  168   1H6     A  15          H61         A  15   5.478  18.934  13.057
  169   2H6     A  15          H62         A  15   4.979  19.103  11.361
  170    H2     A  15           H2         A  15   9.627  19.007  13.588
  171   1H2*    A  15          1H2*        A  15   9.869  19.522   6.825
  172   2H2*    A  15          2H2*        A  15  11.118  18.524   7.545
  173   1H5*    C  16          1H5*        C  16  13.218  19.498  10.053
  174   2H5*    C  16          2H5*        C  16  14.861  19.503   9.439
  175    H4*    C  16           H4*        C  16  15.070  18.631  11.581
  176    H3*    C  16           H3*        C  16  15.725  16.841   9.596
  177    H1*    C  16           H1*        C  16  13.353  15.818  12.532
  178   1H4     C  16          1H4         C  16   7.369  16.460   9.816
  179   2H4     C  16          2H4         C  16   7.073  16.049  11.499
  180    H5     C  16           H5         C  16   9.499  16.569   8.754
  181    H6     C  16           H6         C  16  11.846  16.572   9.166
  182   1H2*    C  16          1H2*        C  16  13.688  15.748   9.497
  183   2H2*    C  16          2H2*        C  16  14.399  14.684  10.719
  184   1H5*    G  17          1H5*        G  17  14.858  15.138  13.935
  185   2H5*    G  17          2H5*        G  17  16.586  15.247  14.258
  186    H4*    G  17           H4*        G  17  15.908  13.884  15.958
  187    H3*    G  17           H3*        G  17  17.478  12.484  14.207
  188    H1*    G  17           H1*        G  17  13.899  11.028  15.043
  189    H8     G  17           H8         G  17  14.201  12.338  11.456
  190    H1     G  17           H1         G  17   8.200  12.133  13.802
  191   1H2     G  17          1H2         G  17   8.325  11.895  16.030
  192   2H2     G  17          2H2         G  17   9.865  11.376  16.698
  193   1H2*    G  17          1H2*        G  17  15.776  11.684  12.779
  194   2H2*    G  17          2H2*        G  17  15.778  10.317  13.891
  195   1H5*    G  18          1H5*        G  18  14.491  11.285  17.140
  196   2H5*    G  18          2H5*        G  18  15.639  10.843  18.352
  197    H4*    G  18           H4*        G  18  13.675  10.315  19.360
  198    H3*    G  18           H3*        G  18  15.131   8.057  19.138
  199    H1*    G  18           H1*        G  18  11.526   7.924  17.717
  200    H8     G  18           H8         G  18  14.221   8.300  15.021
  201    H1     G  18           H1         G  18   8.149   8.552  12.989
  202   1H2     G  18          1H2         G  18   6.820   9.200  14.761
  203   2H2     G  18          2H2         G  18   7.437   9.010  16.392
  204   1H2*    G  18          1H2*        G  18  14.440   7.528  16.955
  205   2H2*    G  18          2H2*        G  18  13.350   6.455  17.834
  206   1H5*    A  19          1H5*        A  19  10.484   7.877  19.499
  207   2H5*    A  19          2H5*        A  19  10.453   7.574  21.233
  208    H4*    A  19           H4*        A  19   8.345   6.976  20.752
  209    H3*    A  19           H3*        A  19   9.698   4.734  21.398
  210    H1*    A  19           H1*        A  19   7.798   4.727  17.928
  211    H8     A  19           H8         A  19  11.632   4.938  17.644
  212   1H6     A  19          H61         A  19  10.493   5.713  11.636
  213   2H6     A  19          H62         A  19  11.740   5.364  12.856
  214    H2     A  19           H2         A  19   6.666   5.864  13.605
  215   1H2*    A  19          1H2*        A  19  10.522   4.326  19.235
  216   2H2*    A  19          2H2*        A  19   9.181   3.202  19.207
  217   1H5*    A  20          1H5*        A  20   5.932   4.699  18.674
  218   2H5*    A  20          2H5*        A  20   4.890   4.262  20.015
  219    H4*    A  20           H4*        A  20   3.517   3.806  18.215
  220    H3*    A  20           H3*        A  20   4.253   1.537  19.570
  221    H1*    A  20           H1*        A  20   4.804   1.677  15.651
  222    H8     A  20           H8         A  20   7.894   1.740  17.936
  223   1H6     A  20          H61         A  20  10.741   2.310  12.363
  224   2H6     A  20          H62         A  20  11.127   1.892  14.027
  225    H2     A  20           H2         A  20   6.545   2.504  11.698
  226   1H2*    A  20          1H2*        A  20   5.977   0.757  18.251
  227   2H2*    A  20          2H2*        A  20   4.701   0.073  17.238
  228   1H5*    G  21          1H5*        G  21   2.816   1.752  15.495
  229   2H5*    G  21          2H5*        G  21   1.116   1.454  15.805
  230    H4*    G  21           H4*        G  21   1.160   1.312  13.534
  231    H3*    G  21           H3*        G  21   0.650  -1.151  14.629
  232    H1*    G  21           H1*        G  21   3.617  -0.806  12.026
  233    H8     G  21           H8         G  21   4.586  -1.337  15.670
  234    H1     G  21           H1         G  21   9.356  -0.670  11.381
  235   1H2     G  21          1H2         G  21   8.479  -0.148   9.467
  236   2H2     G  21          2H2         G  21   6.751   0.147   9.337
  237   1H2*    G  21          1H2*        G  21   2.761  -1.942  14.720
  238   2H2*    G  21          2H2*        G  21   2.448  -2.558  13.095
  239   1H5*    C  22          1H5*        C  22   2.208  -0.496  10.532
  240   2H5*    C  22          2H5*        C  22   0.738  -0.736   9.610
  241    H4*    C  22           H4*        C  22   2.439  -0.830   8.046
  242    H3*    C  22           H3*        C  22   1.041  -3.260   8.255
  243    H1*    C  22           H1*        C  22   4.807  -3.098   8.154
  244   1H4     C  22          1H4         C  22   7.024  -4.680  14.155
  245   2H4     C  22          2H4         C  22   8.394  -4.481  13.038
  246    H5     C  22           H5         C  22   4.786  -4.278  13.492
  247    H6     C  22           H6         C  22   3.361  -3.697  11.562
  248    H3T    C  22           H3T        C  22   2.220  -2.251   6.292
  249   1H2*    C  22          1H2*        C  22   2.490  -4.284   9.726
  250   2H2*    C  22          2H2*        C  22   3.230  -4.829   8.173
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  16.143  -6.950   9.166
    2   2H5*    G   1          2H5*        G   1  17.762  -6.331   8.939
    3    H4*    G   1           H4*        G   1  16.530  -5.705   7.053
    4    H3*    G   1           H3*        G   1  17.819  -3.767   8.373
    5    H1*    G   1           H1*        G   1  14.007  -3.184   7.711
    6    H8     G   1           H8         G   1  14.946  -4.096  11.338
    7    H1     G   1           H1         G   1   8.646  -3.701  10.091
    8   1H2     G   1          1H2         G   1   8.346  -3.664   8.017
    9   2H2     G   1          2H2         G   1   9.693  -3.665   6.858
   10    H5T    G   1           H5T        G   1  17.398  -4.866  10.591
   11   1H2*    G   1          1H2*        G   1  16.149  -3.124   9.842
   12   2H2*    G   1          2H2*        G   1  15.744  -1.946   8.594
   13   1H5*    C   2          1H5*        C   2  14.263  -3.210   5.585
   14   2H5*    C   2          2H5*        C   2  15.152  -2.567   4.221
   15    H4*    C   2           H4*        C   2  12.969  -2.072   3.690
   16    H3*    C   2           H3*        C   2  14.445   0.168   3.931
   17    H1*    C   2           H1*        C   2  11.101  -0.108   5.958
   18   1H4     C   2          1H4         C   2  12.961   0.164  12.138
   19   2H4     C   2          2H4         C   2  11.196   0.028  12.167
   20    H5     C   2           H5         C   2  14.288  -0.342  10.296
   21    H6     C   2           H6         C   2  14.263  -0.560   7.870
   22   1H2*    C   2          1H2*        C   2  13.987   0.705   6.206
   23   2H2*    C   2          2H2*        C   2  12.591   1.539   5.506
   24   1H5*    T   3          1H5*        T   3  10.045   0.224   4.436
   25   2H5*    T   3          2H5*        T   3   9.578   0.844   2.900
   26    H4*    T   3           H4*        T   3   7.631   1.113   4.058
   27    H3*    T   3           H3*        T   3   8.757   3.473   3.297
   28   1H2*    T   3          1H2*        T   3   9.831   3.983   5.279
   29   2H2*    T   3          2H2*        T   3   8.303   4.796   5.685
   30    H1*    T   3           H1*        T   3   7.471   3.121   6.925
   31    H3     T   3           H3         T   3   9.466   2.675  10.873
   32   1H5M    T   3          1H5M        T   3  13.669   3.767   8.788
   33   2H5M    T   3          2H5M        T   3  13.630   2.059   8.396
   34   3H5M    T   3          3H5M        T   3  13.408   3.271   7.113
   35    H6     T   3           H6         T   3  11.115   2.845   6.382
   36   1H5*    T   4          1H5*        T   4   5.388   2.888   6.295
   37   2H5*    T   4          2H5*        T   4   4.121   3.337   5.191
   38    H4*    T   4           H4*        T   4   3.099   3.363   7.297
   39    H3*    T   4           H3*        T   4   3.001   5.707   5.960
   40   1H2*    T   4          1H2*        T   4   4.891   6.788   6.893
   41   2H2*    T   4          2H2*        T   4   3.718   7.325   8.089
   42    H1*    T   4           H1*        T   4   4.315   5.731   9.657
   43    H3     T   4           H3         T   4   8.204   5.924  11.627
   44   1H5M    T   4          1H5M        T   4   8.944   7.394   6.471
   45   2H5M    T   4          2H5M        T   4  10.241   7.523   7.651
   46   3H5M    T   4          3H5M        T   4   9.955   5.965   6.903
   47    H6     T   4           H6         T   4   6.918   6.138   6.993
   48   1H5*    C   5          1H5*        C   5   2.472   5.471  10.629
   49   2H5*    C   5          2H5*        C   5   0.720   5.325  10.359
   50    H4*    C   5           H4*        C   5   0.806   5.627  12.613
   51    H3*    C   5           H3*        C   5  -0.416   7.608  11.295
   52    H1*    C   5           H1*        C   5   2.580   8.601  13.702
   53   1H4     C   5          1H4         C   5   7.528   9.372   9.581
   54   2H4     C   5          2H4         C   5   8.314   9.117  11.154
   55    H5     C   5           H5         C   5   5.358   8.980   9.110
   56    H6     C   5           H6         C   5   3.204   8.650   9.993
   57   1H2*    C   5          1H2*        C   5   1.383   9.100  10.980
   58   2H2*    C   5          2H2*        C   5   0.974   9.724  12.578
   59   1H5*    A   6          1H5*        A   6   1.052   8.522  15.693
   60   2H5*    A   6          2H5*        A   6  -0.553   8.454  16.410
   61    H4*    A   6           H4*        A   6   0.720   9.512  18.058
   62    H3*    A   6           H3*        A   6  -1.321  11.107  17.124
   63    H1*    A   6           H1*        A   6   2.295  12.512  17.278
   64    H8     A   6           H8         A   6   1.101  12.163  13.680
   65   1H6     A   6          H61         A   6   7.214  12.154  12.290
   66   2H6     A   6          H62         A   6   5.583  12.092  11.650
   67    H2     A   6           H2         A   6   6.750  12.151  16.694
   68   1H2*    A   6          1H2*        A   6  -0.137  12.160  15.450
   69   2H2*    A   6          2H2*        A   6   0.129  13.362  16.710
   70   1H5*    G   7          1H5*        G   7   2.491  12.150  19.203
   71   2H5*    G   7          2H5*        G   7   1.835  12.468  20.808
   72    H4*    G   7           H4*        G   7   3.902  13.128  21.037
   73    H3*    G   7           H3*        G   7   2.164  15.200  21.130
   74    H1*    G   7           H1*        G   7   5.438  15.479  18.959
   75    H8     G   7           H8         G   7   2.210  15.151  16.919
   76    H1     G   7           H1         G   7   7.685  15.574  13.526
   77   1H2     G   7          1H2         G   7   9.263  15.325  14.701
   78   2H2     G   7          2H2         G   7   9.170  15.067  16.436
   79   1H2*    G   7          1H2*        G   7   2.432  15.918  18.925
   80   2H2*    G   7          2H2*        G   7   3.726  16.938  19.612
   81   1H5*    T   8          1H5*        T   8   6.684  15.469  20.508
   82   2H5*    T   8          2H5*        T   8   7.034  15.791  22.194
   83    H4*    T   8           H4*        T   8   9.005  16.283  21.159
   84    H3*    T   8           H3*        T   8   7.819  18.442  22.364
   85   1H2*    T   8          1H2*        T   8   6.867  19.486  20.536
   86   2H2*    T   8          2H2*        T   8   8.454  20.236  20.332
   87    H1*    T   8           H1*        T   8   9.255  18.752  18.812
   88    H3     T   8           H3         T   8   7.179  19.056  14.750
   89   1H5M    T   8          1H5M        T   8   3.047  19.487  16.991
   90   2H5M    T   8          2H5M        T   8   3.237  17.739  17.307
   91   3H5M    T   8          3H5M        T   8   3.430  18.919  18.632
   92    H6     T   8           H6         T   8   5.576  18.572  19.259
   93   1H5*    C   9          1H5*        C   9  11.146  18.900  19.096
   94   2H5*    C   9          2H5*        C   9  12.428  18.867  20.277
   95    H4*    C   9           H4*        C   9  13.525  19.676  18.437
   96    H3*    C   9           H3*        C   9  13.412  21.783  20.228
   97    H1*    C   9           H1*        C   9  11.959  22.389  16.669
   98   1H4     C   9          1H4         C   9   5.433  22.100  16.935
   99   2H4     C   9          2H4         C   9   5.889  22.055  15.243
  100    H5     C   9           H5         C   9   6.969  21.972  18.739
  101    H6     C   9           H6         C   9   9.369  22.029  19.313
  102   1H2*    C   9          1H2*        C   9  11.341  22.647  19.592
  103   2H2*    C   9          2H2*        C   9  12.388  23.629  18.569
  104   1H5*    G  10          1H5*        G  10  13.770  22.480  15.542
  105   2H5*    G  10          2H5*        G  10  15.485  22.338  15.776
  106    H4*    G  10           H4*        G  10  15.462  23.369  13.716
  107    H3*    G  10           H3*        G  10  16.462  25.111  15.476
  108    H1*    G  10           H1*        G  10  13.217  26.329  13.478
  109    H8     G  10           H8         G  10  12.701  25.159  17.108
  110    H1     G  10           H1         G  10   7.305  25.386  13.662
  111   1H2     G  10          1H2         G  10   7.786  26.102  11.623
  112   2H2     G  10          2H2         G  10   9.462  26.025  11.072
  113   1H2*    G  10          1H2*        G  10  14.451  26.117  16.200
  114   2H2*    G  10          2H2*        G  10  14.782  27.259  14.902
  115   1H5*    T  11          1H5*        T  11  14.474  25.744  11.737
  116   2H5*    T  11          2H5*        T  11  15.772  26.244  10.646
  117    H4*    T  11           H4*        T  11  13.862  26.738   9.426
  118    H3*    T  11           H3*        T  11  15.491  28.897  10.299
  119   1H2*    T  11          1H2*        T  11  14.119  29.676  11.929
  120   2H2*    T  11          2H2*        T  11  13.383  30.563  10.556
  121    H1*    T  11           H1*        T  11  11.680  28.888  10.244
  122    H3     T  11           H3         T  11   8.551  29.400  13.501
  123   1H5M    T  11          1H5M        T  11  12.348  27.971  16.453
  124   2H5M    T  11          2H5M        T  11  13.382  29.338  15.905
  125   3H5M    T  11          3H5M        T  11  11.888  29.635  16.812
  126    H6     T  11           H6         T  11  13.281  28.564  13.579
  127    H3T    T  11           H3T        T  11  14.431  28.622   8.151
  128   1H5*    A  12          1H5*        A  12   0.401  31.063  15.145
  129   2H5*    A  12          2H5*        A  12  -1.358  30.918  15.048
  130    H4*    A  12           H4*        A  12  -0.684  30.733  12.824
  131    H3*    A  12           H3*        A  12  -1.784  28.419  13.752
  132    H1*    A  12           H1*        A  12   1.916  28.076  12.395
  133    H8     A  12           H8         A  12   1.654  27.770  16.166
  134   1H6     A  12          H61         A  12   7.824  28.810  15.907
  135   2H6     A  12          H62         A  12   6.505  28.320  16.971
  136    H2     A  12           H2         A  12   6.217  28.882  11.821
  137    H5T    A  12           H5T        A  12   0.295  29.485  16.454
  138   1H2*    A  12          1H2*        A  12   0.069  27.321  14.600
  139   2H2*    A  12          2H2*        A  12   0.291  26.703  12.976
  140   1H5*    C  13          1H5*        C  13   1.134  28.548  10.297
  141   2H5*    C  13          2H5*        C  13  -0.061  28.249   9.034
  142    H4*    C  13           H4*        C  13   1.976  27.943   7.908
  143    H3*    C  13           H3*        C  13   0.473  25.642   8.156
  144    H1*    C  13           H1*        C  13   4.223  25.676   9.094
  145   1H4     C  13          1H4         C  13   4.227  24.692  15.520
  146   2H4     C  13          2H4         C  13   5.953  24.973  15.243
  147    H5     C  13           H5         C  13   2.570  24.915  14.198
  148    H6     C  13           H6         C  13   1.823  25.282  11.958
  149   1H2*    C  13          1H2*        C  13   1.465  24.808  10.043
  150   2H2*    C  13          2H2*        C  13   2.559  24.033   8.909
  151   1H5*    G  14          1H5*        G  14   4.877  25.706   7.154
  152   2H5*    G  14          2H5*        G  14   4.631  25.560   5.413
  153    H4*    G  14           H4*        G  14   6.911  25.227   5.656
  154    H3*    G  14           H3*        G  14   5.692  22.996   4.710
  155    H1*    G  14           H1*        G  14   7.889  22.722   7.924
  156    H8     G  14           H8         G  14   4.072  22.596   8.415
  157    H1     G  14           H1         G  14   7.442  22.390  13.880
  158   1H2     G  14          1H2         G  14   9.601  22.692  13.383
  159   2H2     G  14          2H2         G  14  10.052  23.044  11.705
  160   1H2*    G  14          1H2*        G  14   5.166  21.984   6.752
  161   2H2*    G  14          2H2*        G  14   6.721  21.198   6.573
  162   1H5*    A  15          1H5*        A  15   9.611  22.911   6.911
  163   2H5*    A  15          2H5*        A  15  10.607  22.569   5.519
  164    H4*    A  15           H4*        A  15  11.996  22.201   7.246
  165    H3*    A  15           H3*        A  15  11.628  19.893   5.824
  166    H1*    A  15           H1*        A  15  11.263  19.668   9.605
  167    H8     A  15           H8         A  15   7.977  19.938   7.673
  168   1H6     A  15          H61         A  15   5.410  18.577  13.141
  169   2H6     A  15          H62         A  15   5.067  18.656  11.395
  170    H2     A  15           H2         A  15   9.657  18.743  13.764
  171   1H2*    A  15          1H2*        A  15   9.761  19.130   7.010
  172   2H2*    A  15          2H2*        A  15  10.978  18.178   7.874
  173   1H5*    C  16          1H5*        C  16  12.933  19.440  10.610
  174   2H5*    C  16          2H5*        C  16  14.572  19.651   9.998
  175    H4*    C  16           H4*        C  16  15.000  18.823  12.041
  176    H3*    C  16           H3*        C  16  15.580  16.909  10.110
  177    H1*    C  16           H1*        C  16  13.180  15.872  13.063
  178   1H4     C  16          1H4         C  16   7.374  16.025   9.969
  179   2H4     C  16          2H4         C  16   7.081  15.651  11.679
  180    H5     C  16           H5         C  16   9.550  16.326   9.068
  181    H6     C  16           H6         C  16  11.874  16.561   9.607
  182   1H2*    C  16          1H2*        C  16  13.676  15.763  10.088
  183   2H2*    C  16          2H2*        C  16  14.342  14.794  11.397
  184   1H5*    G  17          1H5*        G  17  14.891  15.493  14.473
  185   2H5*    G  17          2H5*        G  17  16.598  15.588  14.910
  186    H4*    G  17           H4*        G  17  15.785  14.355  16.676
  187    H3*    G  17           H3*        G  17  17.432  12.903  15.142
  188    H1*    G  17           H1*        G  17  13.808  11.387  15.664
  189    H8     G  17           H8         G  17  14.459  12.419  12.131
  190    H1     G  17           H1         G  17   8.288  12.547  14.004
  191   1H2     G  17          1H2         G  17   8.171  12.426  15.921
  192   2H2     G  17          2H2         G  17   9.525  12.382  17.080
  193   1H2*    G  17          1H2*        G  17  15.853  12.088  13.600
  194   2H2*    G  17          2H2*        G  17  15.743  10.710  14.706
  195   1H5*    G  18          1H5*        G  18  14.149  11.299  17.552
  196   2H5*    G  18          2H5*        G  18  15.290  11.106  18.848
  197    H4*    G  18           H4*        G  18  13.598  10.059  19.842
  198    H3*    G  18           H3*        G  18  15.265   8.059  19.063
  199    H1*    G  18           H1*        G  18  11.532   7.826  17.846
  200    H8     G  18           H8         G  18  14.018   8.536  15.002
  201    H1     G  18           H1         G  18   7.836   8.870  13.385
  202   1H2     G  18          1H2         G  18   6.575   8.906  15.102
  203   2H2     G  18          2H2         G  18   7.235   8.503  16.686
  204   1H2*    G  18          1H2*        G  18  14.430   7.770  16.953
  205   2H2*    G  18          2H2*        G  18  13.485   6.501  17.744
  206   1H5*    A  19          1H5*        A  19  10.793   7.555  19.946
  207   2H5*    A  19          2H5*        A  19  11.005   6.830  21.540
  208    H4*    A  19           H4*        A  19   8.802   6.447  21.112
  209    H3*    A  19           H3*        A  19  10.175   4.194  21.475
  210    H1*    A  19           H1*        A  19   8.122   4.475  18.115
  211    H8     A  19           H8         A  19  11.938   4.744  17.618
  212   1H6     A  19          H61         A  19  10.111   6.496  11.945
  213   2H6     A  19          H62         A  19  11.598   5.986  12.751
  214    H2     A  19           H2         A  19   6.630   5.718  14.073
  215   1H2*    A  19          1H2*        A  19  10.851   3.880  19.260
  216   2H2*    A  19          2H2*        A  19   9.405   2.853  19.198
  217   1H5*    A  20          1H5*        A  20   6.399   4.380  18.998
  218   2H5*    A  20          2H5*        A  20   5.397   3.934  20.358
  219    H4*    A  20           H4*        A  20   3.919   3.617  18.587
  220    H3*    A  20           H3*        A  20   4.549   1.208  19.640
  221    H1*    A  20           H1*        A  20   5.054   1.736  15.783
  222    H8     A  20           H8         A  20   8.319   1.499  17.898
  223   1H6     A  20          H61         A  20  11.050   2.567  12.386
  224   2H6     A  20          H62         A  20  11.379   2.460  14.116
  225    H2     A  20           H2         A  20   6.874   2.535  11.697
  226   1H2*    A  20          1H2*        A  20   6.321   0.635  18.276
  227   2H2*    A  20          2H2*        A  20   5.032  -0.041  17.259
  228   1H5*    G  21          1H5*        G  21   2.955   1.878  15.334
  229   2H5*    G  21          2H5*        G  21   1.266   1.647  15.684
  230    H4*    G  21           H4*        G  21   1.238   1.412  13.452
  231    H3*    G  21           H3*        G  21   0.677  -1.026  14.617
  232    H1*    G  21           H1*        G  21   3.490  -0.914  11.882
  233    H8     G  21           H8         G  21   4.790  -1.018  15.467
  234    H1     G  21           H1         G  21   9.307  -0.785  10.867
  235   1H2     G  21          1H2         G  21   8.256  -0.456   8.889
  236   2H2     G  21          2H2         G  21   6.529  -0.180   8.855
  237   1H2*    G  21          1H2*        G  21   2.818  -1.833  14.687
  238   2H2*    G  21          2H2*        G  21   2.362  -2.537  13.132
  239   1H5*    C  22          1H5*        C  22   2.139  -0.696  10.354
  240   2H5*    C  22          2H5*        C  22   0.582  -0.851   9.562
  241    H4*    C  22           H4*        C  22   2.014  -1.179   7.817
  242    H3*    C  22           H3*        C  22   0.619  -3.467   8.495
  243    H1*    C  22           H1*        C  22   4.485  -3.706   8.118
  244   1H4     C  22          1H4         C  22   6.746  -3.977  14.190
  245   2H4     C  22          2H4         C  22   8.160  -4.072  13.116
  246    H5     C  22           H5         C  22   4.584  -4.289  13.484
  247    H6     C  22           H6         C  22   3.102  -3.817  11.583
  248    H3T    C  22           H3T        C  22   1.465  -2.873   6.257
  249   1H2*    C  22          1H2*        C  22   2.165  -4.596   9.772
  250   2H2*    C  22          2H2*        C  22   2.811  -5.117   8.184
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  16.338  -7.316   9.651
    2   2H5*    G   1          2H5*        G   1  17.884  -6.997   8.867
    3    H4*    G   1           H4*        G   1  16.313  -6.500   7.244
    4    H3*    G   1           H3*        G   1  17.930  -4.439   7.942
    5    H1*    G   1           H1*        G   1  14.153  -3.750   7.828
    6    H8     G   1           H8         G   1  15.503  -4.043  11.416
    7    H1     G   1           H1         G   1   9.093  -4.115  10.974
    8   1H2     G   1          1H2         G   1   8.609  -3.901   8.660
    9   2H2     G   1          2H2         G   1  10.013  -3.924   7.566
   10    H5T    G   1           H5T        G   1  17.462  -6.230  11.127
   11   1H2*    G   1          1H2*        G   1  16.540  -3.589   9.697
   12   2H2*    G   1          2H2*        G   1  16.071  -2.479   8.427
   13   1H5*    C   2          1H5*        C   2  13.723  -3.702   5.746
   14   2H5*    C   2          2H5*        C   2  14.457  -3.383   4.178
   15    H4*    C   2           H4*        C   2  12.292  -2.536   3.840
   16    H3*    C   2           H3*        C   2  14.152  -0.581   3.837
   17    H1*    C   2           H1*        C   2  11.074  -0.174   6.092
   18   1H4     C   2          1H4         C   2  12.544  -0.731  12.427
   19   2H4     C   2          2H4         C   2  10.824  -1.000  12.111
   20    H5     C   2           H5         C   2  14.155  -0.774  10.367
   21    H6     C   2           H6         C   2  14.163  -0.920   8.046
   22   1H2*    C   2          1H2*        C   2  14.092  -0.187   6.186
   23   2H2*    C   2          2H2*        C   2  12.969   1.089   5.707
   24   1H5*    T   3          1H5*        T   3   9.846   0.348   4.626
   25   2H5*    T   3          2H5*        T   3   9.646   0.837   2.953
   26    H4*    T   3           H4*        T   3   7.675   1.355   3.775
   27    H3*    T   3           H3*        T   3   8.892   3.643   3.023
   28   1H2*    T   3          1H2*        T   3  10.066   4.046   4.949
   29   2H2*    T   3          2H2*        T   3   8.607   5.014   5.323
   30    H1*    T   3           H1*        T   3   7.705   3.484   6.739
   31    H3     T   3           H3         T   3   9.504   2.294  10.652
   32   1H5M    T   3          1H5M        T   3  13.835   3.079   8.858
   33   2H5M    T   3          2H5M        T   3  13.693   1.616   7.896
   34   3H5M    T   3          3H5M        T   3  13.546   3.200   7.117
   35    H6     T   3           H6         T   3  11.303   2.913   6.225
   36   1H5*    T   4          1H5*        T   4   5.828   3.354   6.177
   37   2H5*    T   4          2H5*        T   4   4.551   3.854   5.057
   38    H4*    T   4           H4*        T   4   3.476   3.709   7.002
   39    H3*    T   4           H3*        T   4   3.438   6.144   5.910
   40   1H2*    T   4          1H2*        T   4   5.386   7.062   6.947
   41   2H2*    T   4          2H2*        T   4   4.208   7.613   8.127
   42    H1*    T   4           H1*        T   4   4.621   5.870   9.621
   43    H3     T   4           H3         T   4   8.632   5.659  11.589
   44   1H5M    T   4          1H5M        T   4  10.550   5.481   7.047
   45   2H5M    T   4          2H5M        T   4   9.371   6.577   6.262
   46   3H5M    T   4          3H5M        T   4  10.572   7.216   7.359
   47    H6     T   4           H6         T   4   7.288   6.253   7.014
   48   1H5*    C   5          1H5*        C   5   2.566   5.380  10.503
   49   2H5*    C   5          2H5*        C   5   0.842   5.421  10.226
   50    H4*    C   5           H4*        C   5   1.031   5.575  12.568
   51    H3*    C   5           H3*        C   5  -0.082   7.820  11.340
   52    H1*    C   5           H1*        C   5   2.915   8.282  13.814
   53   1H4     C   5          1H4         C   5   7.821   9.711   9.712
   54   2H4     C   5          2H4         C   5   8.517   9.575  11.319
   55    H5     C   5           H5         C   5   5.566   9.556   9.233
   56    H6     C   5           H6         C   5   3.425   8.806  10.111
   57   1H2*    C   5          1H2*        C   5   1.660   9.244  11.265
   58   2H2*    C   5          2H2*        C   5   1.357   9.609  12.964
   59   1H5*    A   6          1H5*        A   6   1.361   8.616  15.783
   60   2H5*    A   6          2H5*        A   6  -0.266   8.344  16.372
   61    H4*    A   6           H4*        A   6   0.680   9.478  18.122
   62    H3*    A   6           H3*        A   6  -1.240  11.104  17.155
   63    H1*    A   6           H1*        A   6   2.340  12.604  17.200
   64    H8     A   6           H8         A   6   1.131  12.491  13.720
   65   1H6     A   6          H61         A   6   7.192  12.745  12.225
   66   2H6     A   6          H62         A   6   5.578  12.869  11.567
   67    H2     A   6           H2         A   6   6.844  11.742  16.497
   68   1H2*    A   6          1H2*        A   6  -0.034  12.136  15.437
   69   2H2*    A   6          2H2*        A   6   0.316  13.358  16.666
   70   1H5*    G   7          1H5*        G   7   2.695  11.952  19.037
   71   2H5*    G   7          2H5*        G   7   2.016  12.129  20.640
   72    H4*    G   7           H4*        G   7   4.150  12.804  20.957
   73    H3*    G   7           H3*        G   7   2.374  14.847  21.271
   74    H1*    G   7           H1*        G   7   5.480  15.478  19.002
   75    H8     G   7           H8         G   7   2.245  15.376  17.021
   76    H1     G   7           H1         G   7   7.726  15.825  13.657
   77   1H2     G   7          1H2         G   7   9.398  15.770  15.117
   78   2H2     G   7          2H2         G   7   9.016  15.685  16.846
   79   1H2*    G   7          1H2*        G   7   2.463  15.625  19.072
   80   2H2*    G   7          2H2*        G   7   3.689  16.727  19.758
   81   1H5*    T   8          1H5*        T   8   6.832  15.269  20.432
   82   2H5*    T   8          2H5*        T   8   7.229  15.491  22.108
   83    H4*    T   8           H4*        T   8   9.196  16.145  21.031
   84    H3*    T   8           H3*        T   8   7.966  18.228  22.338
   85   1H2*    T   8          1H2*        T   8   6.911  19.262  20.609
   86   2H2*    T   8          2H2*        T   8   8.450  20.070  20.291
   87    H1*    T   8           H1*        T   8   9.192  18.653  18.681
   88    H3     T   8           H3         T   8   6.893  19.038  14.795
   89   1H5M    T   8          1H5M        T   8   3.095  19.932  17.476
   90   2H5M    T   8          2H5M        T   8   2.905  18.163  17.353
   91   3H5M    T   8          3H5M        T   8   3.338  18.930  18.905
   92    H6     T   8           H6         T   8   5.557  18.478  19.383
   93   1H5*    C   9          1H5*        C   9  11.354  18.712  19.147
   94   2H5*    C   9          2H5*        C   9  12.680  19.097  20.254
   95    H4*    C   9           H4*        C   9  13.367  19.707  18.139
   96    H3*    C   9           H3*        C   9  13.229  21.750  20.023
   97    H1*    C   9           H1*        C   9  11.751  22.152  16.480
   98   1H4     C   9          1H4         C   9   5.048  22.034  17.196
   99   2H4     C   9          2H4         C   9   5.492  22.191  15.514
  100    H5     C   9           H5         C   9   6.884  21.993  18.972
  101    H6     C   9           H6         C   9   9.226  21.931  19.316
  102   1H2*    C   9          1H2*        C   9  11.214  22.625  19.419
  103   2H2*    C   9          2H2*        C   9  12.178  23.609  18.301
  104   1H5*    G  10          1H5*        G  10  13.799  22.585  15.314
  105   2H5*    G  10          2H5*        G  10  15.519  22.515  15.594
  106    H4*    G  10           H4*        G  10  15.367  23.590  13.464
  107    H3*    G  10           H3*        G  10  16.347  25.426  15.257
  108    H1*    G  10           H1*        G  10  12.904  26.358  13.468
  109    H8     G  10           H8         G  10  12.627  25.458  17.246
  110    H1     G  10           H1         G  10   7.171  25.770  13.876
  111   1H2     G  10          1H2         G  10   7.705  25.959  11.710
  112   2H2     G  10          2H2         G  10   9.387  26.173  11.219
  113   1H2*    G  10          1H2*        G  10  14.237  26.228  16.095
  114   2H2*    G  10          2H2*        G  10  14.452  27.397  14.807
  115   1H5*    T  11          1H5*        T  11  13.891  26.176  11.591
  116   2H5*    T  11          2H5*        T  11  15.225  26.664  10.566
  117    H4*    T  11           H4*        T  11  13.390  27.377   9.322
  118    H3*    T  11           H3*        T  11  14.929  29.430  10.308
  119   1H2*    T  11          1H2*        T  11  13.666  29.987  12.157
  120   2H2*    T  11          2H2*        T  11  12.757  30.983  10.957
  121    H1*    T  11           H1*        T  11  11.101  29.444  10.648
  122    H3     T  11           H3         T  11   8.275  29.566  14.074
  123   1H5M    T  11          1H5M        T  11  13.337  28.901  16.066
  124   2H5M    T  11          2H5M        T  11  12.343  30.140  16.825
  125   3H5M    T  11          3H5M        T  11  11.960  28.435  17.081
  126    H6     T  11           H6         T  11  13.010  28.756  13.787
  127    H3T    T  11           H3T        T  11  13.987  29.520   8.273
  128   1H5*    A  12          1H5*        A  12  -0.278  31.621  15.116
  129   2H5*    A  12          2H5*        A  12  -1.956  31.304  14.663
  130    H4*    A  12           H4*        A  12  -0.758  31.053  12.710
  131    H3*    A  12           H3*        A  12  -2.022  28.782  13.509
  132    H1*    A  12           H1*        A  12   1.657  28.567  12.461
  133    H8     A  12           H8         A  12   1.303  27.903  16.220
  134   1H6     A  12          H61         A  12   7.587  28.379  15.985
  135   2H6     A  12          H62         A  12   6.257  28.128  17.122
  136    H2     A  12           H2         A  12   6.007  29.213  12.065
  137    H5T    A  12           H5T        A  12  -0.374  30.023  16.443
  138   1H2*    A  12          1H2*        A  12  -0.256  27.767  14.621
  139   2H2*    A  12          2H2*        A  12   0.105  27.070  13.004
  140   1H5*    C  13          1H5*        C  13   1.574  29.017  10.547
  141   2H5*    C  13          2H5*        C  13   0.502  29.092   9.169
  142    H4*    C  13           H4*        C  13   2.531  28.655   8.166
  143    H3*    C  13           H3*        C  13   0.792  26.610   7.910
  144    H1*    C  13           H1*        C  13   4.353  25.811   9.262
  145   1H4     C  13          1H4         C  13   4.192  24.979  15.781
  146   2H4     C  13          2H4         C  13   5.886  25.105  15.370
  147    H5     C  13           H5         C  13   2.425  25.083  14.259
  148    H6     C  13           H6         C  13   1.799  25.419  11.892
  149   1H2*    C  13          1H2*        C  13   1.420  25.392   9.867
  150   2H2*    C  13          2H2*        C  13   2.445  24.549   8.721
  151   1H5*    G  14          1H5*        G  14   5.282  25.887   7.368
  152   2H5*    G  14          2H5*        G  14   5.176  25.970   5.630
  153    H4*    G  14           H4*        G  14   7.228  25.146   5.829
  154    H3*    G  14           H3*        G  14   5.709  23.108   4.783
  155    H1*    G  14           H1*        G  14   7.575  22.312   8.240
  156    H8     G  14           H8         G  14   3.835  22.915   8.378
  157    H1     G  14           H1         G  14   7.062  22.636  13.957
  158   1H2     G  14          1H2         G  14   9.237  22.631  13.413
  159   2H2     G  14          2H2         G  14   9.761  23.118  11.807
  160   1H2*    G  14          1H2*        G  14   5.004  22.035   6.805
  161   2H2*    G  14          2H2*        G  14   6.511  21.161   6.600
  162   1H5*    A  15          1H5*        A  15   9.644  22.806   6.940
  163   2H5*    A  15          2H5*        A  15  10.634  22.521   5.551
  164    H4*    A  15           H4*        A  15  12.120  22.173   7.110
  165    H3*    A  15           H3*        A  15  11.691  19.780   5.901
  166    H1*    A  15           H1*        A  15  11.338  19.878   9.789
  167    H8     A  15           H8         A  15   8.125  19.977   7.653
  168   1H6     A  15          H61         A  15   5.220  18.896  13.037
  169   2H6     A  15          H62         A  15   5.005  19.251  11.316
  170    H2     A  15           H2         A  15   9.398  19.561  13.952
  171   1H2*    A  15          1H2*        A  15   9.983  18.963   7.257
  172   2H2*    A  15          2H2*        A  15  11.293  18.269   8.212
  173   1H5*    C  16          1H5*        C  16  13.058  19.094  10.367
  174   2H5*    C  16          2H5*        C  16  14.732  19.167   9.783
  175    H4*    C  16           H4*        C  16  15.104  18.224  11.807
  176    H3*    C  16           H3*        C  16  15.390  16.404   9.765
  177    H1*    C  16           H1*        C  16  13.044  15.537  12.876
  178   1H4     C  16          1H4         C  16   7.020  16.368  10.061
  179   2H4     C  16          2H4         C  16   6.830  16.212  11.790
  180    H5     C  16           H5         C  16   9.258  16.464   9.077
  181    H6     C  16           H6         C  16  11.622  16.479   9.559
  182   1H2*    C  16          1H2*        C  16  13.309  15.360   9.879
  183   2H2*    C  16          2H2*        C  16  14.084  14.397  11.139
  184   1H5*    G  17          1H5*        G  17  15.210  15.108  14.107
  185   2H5*    G  17          2H5*        G  17  16.951  14.912  14.321
  186    H4*    G  17           H4*        G  17  16.203  13.771  16.129
  187    H3*    G  17           H3*        G  17  17.472  12.213  14.328
  188    H1*    G  17           H1*        G  17  13.737  11.108  15.317
  189    H8     G  17           H8         G  17  14.301  12.236  11.778
  190    H1     G  17           H1         G  17   8.256  12.415  14.001
  191   1H2     G  17          1H2         G  17   8.303  12.524  16.123
  192   2H2     G  17          2H2         G  17   9.770  12.067  17.001
  193   1H2*    G  17          1H2*        G  17  15.715  11.388  13.091
  194   2H2*    G  17          2H2*        G  17  15.577  10.152  14.341
  195   1H5*    G  18          1H5*        G  18  14.695  11.039  17.427
  196   2H5*    G  18          2H5*        G  18  15.865  10.621  18.674
  197    H4*    G  18           H4*        G  18  13.920   9.969  19.681
  198    H3*    G  18           H3*        G  18  15.378   7.727  19.152
  199    H1*    G  18           H1*        G  18  11.708   7.840  17.886
  200    H8     G  18           H8         G  18  14.242   8.207  15.079
  201    H1     G  18           H1         G  18   8.072   8.904  13.385
  202   1H2     G  18          1H2         G  18   6.864   8.961  15.126
  203   2H2     G  18          2H2         G  18   7.560   8.919  16.763
  204   1H2*    G  18          1H2*        G  18  14.601   7.504  16.998
  205   2H2*    G  18          2H2*        G  18  13.545   6.324  17.818
  206   1H5*    A  19          1H5*        A  19  10.802   7.701  19.715
  207   2H5*    A  19          2H5*        A  19  10.965   7.217  21.376
  208    H4*    A  19           H4*        A  19   8.726   6.878  20.903
  209    H3*    A  19           H3*        A  19   9.835   4.520  21.617
  210    H1*    A  19           H1*        A  19   8.159   4.597  18.060
  211    H8     A  19           H8         A  19  12.000   4.650  17.887
  212   1H6     A  19          H61         A  19  10.782   5.831  11.883
  213   2H6     A  19          H62         A  19  12.101   5.421  12.968
  214    H2     A  19           H2         A  19   7.030   5.710  13.929
  215   1H2*    A  19          1H2*        A  19  10.650   3.808  19.542
  216   2H2*    A  19          2H2*        A  19   9.057   3.034  19.389
  217   1H5*    A  20          1H5*        A  20   6.187   4.588  18.768
  218   2H5*    A  20          2H5*        A  20   5.002   4.197  20.014
  219    H4*    A  20           H4*        A  20   3.747   4.032  18.157
  220    H3*    A  20           H3*        A  20   4.143   1.666  19.468
  221    H1*    A  20           H1*        A  20   4.820   1.805  15.549
  222    H8     A  20           H8         A  20   7.894   1.829  17.846
  223   1H6     A  20          H61         A  20  10.908   1.867  12.272
  224   2H6     A  20          H62         A  20  11.222   1.727  13.986
  225    H2     A  20           H2         A  20   6.728   2.622  11.589
  226   1H2*    A  20          1H2*        A  20   5.958   0.904  18.203
  227   2H2*    A  20          2H2*        A  20   4.709   0.141  17.252
  228   1H5*    G  21          1H5*        G  21   2.648   1.836  15.264
  229   2H5*    G  21          2H5*        G  21   0.936   1.522  15.629
  230    H4*    G  21           H4*        G  21   0.946   1.356  13.397
  231    H3*    G  21           H3*        G  21   0.418  -1.038  14.558
  232    H1*    G  21           H1*        G  21   3.443  -0.899  11.954
  233    H8     G  21           H8         G  21   4.666  -0.888  15.630
  234    H1     G  21           H1         G  21   9.076  -0.855  10.883
  235   1H2     G  21          1H2         G  21   7.894  -0.651   8.897
  236   2H2     G  21          2H2         G  21   6.133  -0.560   9.076
  237   1H2*    G  21          1H2*        G  21   2.636  -1.799  14.701
  238   2H2*    G  21          2H2*        G  21   2.210  -2.530  13.150
  239   1H5*    C  22          1H5*        C  22   2.170  -0.727  10.537
  240   2H5*    C  22          2H5*        C  22   0.669  -0.803   9.618
  241    H4*    C  22           H4*        C  22   2.121  -1.216   7.952
  242    H3*    C  22           H3*        C  22   0.848  -3.560   8.666
  243    H1*    C  22           H1*        C  22   4.608  -3.347   8.175
  244   1H4     C  22          1H4         C  22   7.183  -4.182  14.204
  245   2H4     C  22          2H4         C  22   8.485  -4.379  13.011
  246    H5     C  22           H5         C  22   4.946  -3.949  13.618
  247    H6     C  22           H6         C  22   3.415  -3.426  11.715
  248    H3T    C  22           H3T        C  22   1.254  -3.858   6.615
  249   1H2*    C  22          1H2*        C  22   2.412  -4.407  10.030
  250   2H2*    C  22          2H2*        C  22   3.028  -5.108   8.496