NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
7316 1k8n 5718 cing 1-original 2 AMBER distance NOE simple


 &rst
 iat(1) =   13     , 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     =  2.714 ,
 r2     =  3.054   , r3     =  3.732  , r4    =  4.072 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.656 ,
 r2     =  2.988   , r3     =  3.652  , r4    =  3.984 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.858 ,
 r2     =  3.215   , r3     =  3.929  , r4    =  4.286 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.746 ,
 r2     =  3.090   , r3     =  3.776  , r4    =  4.120 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.800 ,
 r2     =  3.150   , r3     =  3.850  , 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) =    8     , iat(2) =    8    , 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     =  2.792 ,
 r2     =  3.141   , r3     =  3.839  , r4    =  4.188 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.978 ,
 r2     =  3.350   , r3     =  4.094  , r4    =  4.466 , 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) =    8     , 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     =  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) =   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     =  2.690 ,
 r2     =  3.027   , r3     =  3.699  , r4    =  4.036 , 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) =    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     =  2.676 ,
 r2     =  3.010   , r3     =  3.680  , r4    =  4.014 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.763 ,
 r2     =  3.109   , r3     =  3.799  , r4    =  4.145 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   28     , iat(2) =   28    , 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     =  2.854 ,
 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) =   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     =  2.975 ,
 r2     =  3.347   , r3     =  4.091  , r4    =  4.463 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  2.356 ,
 r2     =  2.650   , r3     =  3.240  , r4    =  3.534 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   26    , 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     =  3.060 ,
 r2     =  3.443   , r3     =  4.207  , 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) =   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     =  2.877 ,
 r2     =  3.236   , r3     =  3.956  , r4    =  4.315 , 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) =   24     , iat(2) =   23    , 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     =  2.848 ,
 r2     =  3.204   , r3     =  3.916  , r4    =  4.272 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.621 ,
 r2     =  4.073   , r3     =  4.979  , r4    =  5.431 , 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) =   14     , 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     =  2.794 ,
 r2     =  3.144   , r3     =  3.842  , r4    =  4.192 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   24    , 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     =  2.744 ,
 r2     =  3.087   , r3     =  3.773  , r4    =  4.116 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  2.852 ,
 r2     =  3.209   , r3     =  3.921  , r4    =  4.278 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.973 ,
 r2     =  2.219   , r3     =  2.713  , r4    =  2.959 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.585 ,
 r2     =  2.908   , r3     =  3.554  , r4    =  3.877 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   25    , 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     =  2.592 ,
 r2     =  2.916   , r3     =  3.564  , r4    =  3.888 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   23    , 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     =  2.362 ,
 r2     =  2.658   , r3     =  3.248  , r4    =  3.544 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.939 ,
 r2     =  3.307   , r3     =  4.041  , r4    =  4.409 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  1.943 ,
 r2     =  2.186   , r3     =  2.672  , r4    =  2.915 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.503 ,
 r2     =  2.816   , r3     =  3.442  , r4    =  3.755 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   25    , 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     =  2.856 ,
 r2     =  3.213   , r3     =  3.927  , r4    =  4.284 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.802 ,
 r2     =  3.153   , r3     =  3.853  , r4    =  4.204 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.951 ,
 r2     =  2.195   , r3     =  2.683  , r4    =  2.927 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  4.698 ,
 r2     =  5.285   , r3     =  6.459  , r4    =  7.046 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.982 ,
 r2     =  2.229   , r3     =  2.725  , r4    =  2.972 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.810 ,
 r2     =  3.161   , r3     =  3.863  , r4    =  4.214 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.264 ,
 r2     =  2.547   , r3     =  3.113  , r4    =  3.396 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.665 ,
 r2     =  2.998   , r3     =  3.664  , r4    =  3.997 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.675 ,
 r2     =  3.010   , r3     =  3.678  , r4    =  4.013 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   25    , 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     =  1.976 ,
 r2     =  2.223   , r3     =  2.717  , r4    =  2.964 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.985 ,
 r2     =  2.233   , r3     =  2.729  , r4    =  2.977 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.036 ,
 r2     =  2.291   , r3     =  2.799  , r4    =  3.054 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.825 ,
 r2     =  3.178   , r3     =  3.884  , r4    =  4.237 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.806 ,
 r2     =  3.157   , r3     =  3.859  , r4    =  4.210 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.650 ,
 r2     =  2.982   , r3     =  3.644  , r4    =  3.976 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.886 ,
 r2     =  3.246   , r3     =  3.968  , r4    =  4.328 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   25    , 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     =  2.960 ,
 r2     =  3.330   , r3     =  4.070  , r4    =  4.440 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.562 ,
 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) =   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     =  2.586 ,
 r2     =  2.909   , r3     =  3.555  , r4    =  3.878 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.686 ,
 r2     =  3.021   , r3     =  3.693  , 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) =   24     , iat(2) =   23    , 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     =  4.191 ,
 r2     =  4.715   , r3     =  5.763  , r4    =  6.287 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   23    , 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     =  2.895 ,
 r2     =  3.257   , r3     =  3.981  , r4    =  4.343 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.553 ,
 r2     =  2.872   , r3     =  3.510  , r4    =  3.829 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.778 ,
 r2     =  4.250   , r3     =  5.194  , r4    =  5.666 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.714 ,
 r2     =  3.054   , r3     =  3.732  , r4    =  4.072 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.962 ,
 r2     =  3.333   , r3     =  4.073  , r4    =  4.444 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.004 ,
 r2     =  3.380   , r3     =  4.131  , r4    =  4.506 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H5  ' ,
 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) =   14     , iat(2) =   14    , 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     =  1.957 ,
 r2     =  2.201   , r3     =  2.691  , r4    =  2.935 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   26    , 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     =  2.622 ,
 r2     =  2.949   , r3     =  3.605  , r4    =  3.932 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.314 ,
 r2     =  3.728   , r3     =  4.556  , r4    =  4.970 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.546 ,
 r2     =  2.865   , r3     =  3.501  , r4    =  3.820 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.874 ,
 r2     =  3.233   , r3     =  3.951  , r4    =  4.310 , 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) =   12     , 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     =  2.879 ,
 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) =   23     , 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     =  2.910 ,
 r2     =  3.274   , r3     =  4.002  , r4    =  4.366 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.614 ,
 r2     =  2.940   , r3     =  3.594  , r4    =  3.920 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.987 ,
 r2     =  3.361   , 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) =    3     , iat(2) =    3    , 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     =  2.582 ,
 r2     =  2.904   , r3     =  3.550  , r4    =  3.872 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.851 ,
 r2     =  3.208   , r3     =  3.920  , r4    =  4.277 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   25    , 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     =  2.112 ,
 r2     =  2.376   , r3     =  2.904  , r4    =  3.168 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.989 ,
 r2     =  3.362   , r3     =  4.110  , r4    =  4.483 , 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) =    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     =  3.339 ,
 r2     =  3.757   , r3     =  4.591  , r4    =  5.009 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.626 ,
 r2     =  4.079   , r3     =  4.985  , r4    =  5.438 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.928 ,
 r2     =  4.419   , r3     =  5.401  , r4    =  5.892 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.392 ,
 r2     =  3.816   , r3     =  4.664  , r4    =  5.088 , 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) =    3     , iat(2) =    3    , 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     =  3.450 ,
 r2     =  3.881   , r3     =  4.743  , r4    =  5.174 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.253 ,
 r2     =  3.659   , r3     =  4.473  , r4    =  4.879 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  2.749 ,
 r2     =  3.092   , r3     =  3.780  , r4    =  4.123 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.728 ,
 r2     =  3.069   , r3     =  3.751  , r4    =  4.092 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.441 ,
 r2     =  3.871   , r3     =  4.731  , r4    =  5.161 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.902 ,
 r2     =  3.265   , r3     =  3.991  , r4    =  4.354 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  2.952 ,
 r2     =  3.321   , r3     =  4.059  , r4    =  4.428 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.684 ,
 r2     =  4.144   , r3     =  5.066  , r4    =  5.526 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.471 ,
 r2     =  3.905   , r3     =  4.773  , r4    =  5.207 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.782 ,
 r2     =  3.130   , r3     =  3.826  , r4    =  4.174 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.359 ,
 r2     =  3.779   , r3     =  4.619  , r4    =  5.039 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.760 ,
 r2     =  3.105   , r3     =  3.795  , r4    =  4.140 , 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) =    2     , iat(2) =    1    , 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     =  3.551 ,
 r2     =  3.995   , r3     =  4.883  , r4    =  5.327 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.034 ,
 r2     =  3.413   , r3     =  4.171  , r4    =  4.550 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.838 ,
 r2     =  4.318   , r3     =  5.277  , r4    =  5.757 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.867 ,
 r2     =  3.226   , r3     =  3.942  , r4    =  4.301 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.579 ,
 r2     =  2.902   , r3     =  3.546  , r4    =  3.869 , 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) =    2     , 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     =  3.242 ,
 r2     =  3.647   , r3     =  4.458  , r4    =  4.863 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   25    , 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     =  2.835 ,
 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) =   23     , 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     =  3.986 ,
 r2     =  4.484   , r3     =  5.480  , r4    =  5.978 , 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) =   10     , 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     =  2.638 ,
 r2     =  2.968   , r3     =  3.628  , r4    =  3.958 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.650 ,
 r2     =  5.232   , r3     =  6.394  , r4    =  6.976 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.223 ,
 r2     =  3.626   , r3     =  4.432  , r4    =  4.835 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.658 ,
 r2     =  2.991   , r3     =  3.655  , r4    =  3.988 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   26    , 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     =  2.730 ,
 r2     =  3.072   , r3     =  3.754  , r4    =  4.096 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 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) =    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     =  2.878 ,
 r2     =  3.238   , r3     =  3.958  , r4    =  4.318 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.654 ,
 r2     =  2.985   , r3     =  3.649  , r4    =  3.980 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.559 ,
 r2     =  4.004   , r3     =  4.894  , r4    =  5.339 , 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) =    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     =  3.362 ,
 r2     =  3.782   , r3     =  4.622  , r4    =  5.042 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.481 ,
 r2     =  2.791   , r3     =  3.411  , r4    =  3.721 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  3.198 ,
 r2     =  3.597   , r3     =  4.397  , r4    =  4.796 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   28     , iat(2) =   28    , 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     =  2.848 ,
 r2     =  3.204   , r3     =  3.916  , r4    =  4.272 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.326 ,
 r2     =  3.741   , r3     =  4.573  , r4    =  4.988 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.306 ,
 r2     =  3.720   , r3     =  4.546  , r4    =  4.960 , 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) =   17     , iat(2) =   16    , 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     =  3.817 ,
 r2     =  4.294   , r3     =  5.248  , r4    =  5.725 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  2.903 ,
 r2     =  3.266   , r3     =  3.992  , r4    =  4.355 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   23    , 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     =  3.478 ,
 r2     =  3.913   , r3     =  4.783  , r4    =  5.218 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.943 ,
 r2     =  3.311   , r3     =  4.047  , r4    =  4.415 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.471 ,
 r2     =  3.905   , r3     =  4.773  , r4    =  5.207 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.297 ,
 r2     =  3.709   , r3     =  4.533  , r4    =  4.945 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.182 ,
 r2     =  3.579   , r3     =  4.375  , r4    =  4.772 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.672 ,
 r2     =  3.006   , r3     =  3.674  , r4    =  4.008 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.162 ,
 r2     =  3.557   , r3     =  4.347  , r4    =  4.742 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.934 ,
 r2     =  3.301   , r3     =  4.035  , r4    =  4.402 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.065 ,
 r2     =  3.448   , r3     =  4.214  , r4    =  4.597 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.397 ,
 r2     =  3.821   , r3     =  4.671  , r4    =  5.095 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   23    , 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     =  2.710 ,
 r2     =  3.048   , r3     =  3.726  , r4    =  4.064 , 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) =    5     , iat(2) =    4    , 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     =  3.390 ,
 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) =   13     , 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     =  2.477 ,
 r2     =  2.786   , r3     =  3.406  , r4    =  3.715 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.792 ,
 r2     =  2.016   , r3     =  2.464  , r4    =  2.688 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.364 ,
 r2     =  2.659   , r3     =  3.250  , r4    =  3.546 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.631 ,
 r2     =  2.960   , r3     =  3.618  , r4    =  3.947 , 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) =    3     , iat(2) =    3    , 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     =  2.278 ,
 r2     =  2.563   , r3     =  3.133  , r4    =  3.418 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.858 ,
 r2     =  2.091   , r3     =  2.555  , r4    =  2.788 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.570 ,
 r2     =  2.891   , r3     =  3.533  , r4    =  3.854 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.036 ,
 r2     =  3.416   , r3     =  4.174  , r4    =  4.554 , 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) =   19     , iat(2) =   19    , 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     =  1.654 ,
 r2     =  1.861   , r3     =  2.275  , r4    =  2.482 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.346 ,
 r2     =  2.639   , r3     =  3.225  , r4    =  3.518 , 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) =    8     , iat(2) =    8    , 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     =  1.858 ,
 r2     =  2.091   , r3     =  2.555  , r4    =  2.788 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.244 ,
 r2     =  3.649   , r3     =  4.460  , r4    =  4.866 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.158 ,
 r2     =  2.427   , r3     =  2.967  , r4    =  3.236 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.861 ,
 r2     =  2.093   , r3     =  2.559  , r4    =  2.791 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.467 ,
 r2     =  2.776   , r3     =  3.392  , r4    =  3.701 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.199 ,
 r2     =  3.599   , r3     =  4.399  , r4    =  4.799 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.911 ,
 r2     =  2.150   , r3     =  2.628  , r4    =  2.867 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  1.988 ,
 r2     =  2.236   , r3     =  2.734  , r4    =  2.982 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  1.962 ,
 r2     =  2.208   , r3     =  2.698  , r4    =  2.944 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.049 ,
 r2     =  4.555   , r3     =  5.567  , r4    =  6.073 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   26    , 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     =  2.417 ,
 r2     =  2.719   , r3     =  3.323  , r4    =  3.625 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   26    , 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     =  2.841 ,
 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) =   28     , iat(2) =   28    , 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     =  2.695 ,
 r2     =  3.032   , r3     =  3.706  , r4    =  4.043 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.206 ,
 r2     =  2.481   , r3     =  3.033  , r4    =  3.308 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.847 ,
 r2     =  2.078   , r3     =  2.540  , r4    =  2.771 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.181 ,
 r2     =  2.453   , r3     =  2.999  , r4    =  3.271 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.606 ,
 r2     =  4.057   , r3     =  4.959  , r4    =  5.410 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.940 ,
 r2     =  2.182   , r3     =  2.668  , r4    =  2.910 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.894 ,
 r2     =  3.256   , r3     =  3.980  , r4    =  4.341 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.048 ,
 r2     =  2.304   , r3     =  2.816  , r4    =  3.072 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.812 ,
 r2     =  2.039   , r3     =  2.492  , r4    =  2.718 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  1.769 ,
 r2     =  1.990   , r3     =  2.432  , r4    =  2.653 , 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) =   22     , iat(2) =   22    , 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     =  1.689 ,
 r2     =  1.900   , r3     =  2.322  , r4    =  2.533 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.924 ,
 r2     =  3.289   , r3     =  4.020  , r4    =  4.386 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  2.167 ,
 r2     =  2.438   , r3     =  2.980  , r4    =  3.251 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.506 ,
 r2     =  2.819   , r3     =  3.445  , r4    =  3.758 , 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) =    4     , iat(2) =    3    , 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     =  2.290 ,
 r2     =  2.576   , r3     =  3.148  , r4    =  3.434 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.286 ,
 r2     =  2.572   , r3     =  3.144  , r4    =  3.430 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.948 ,
 r2     =  2.191   , r3     =  2.678  , r4    =  2.922 , 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) =    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     =  2.194 ,
 r2     =  2.469   , r3     =  3.017  , r4    =  3.292 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.412 ,
 r2     =  2.714   , r3     =  3.317  , r4    =  3.618 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H2''2',
 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) =   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     =  1.631 ,
 r2     =  1.835   , r3     =  2.243  , r4    =  2.447 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.882 ,
 r2     =  2.118   , r3     =  2.588  , r4    =  2.824 , 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) =    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     =  2.616 ,
 r2     =  2.943   , r3     =  3.597  , r4    =  3.924 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.724 ,
 r2     =  1.939   , r3     =  2.371  , r4    =  2.586 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   23    , 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     =  1.721 ,
 r2     =  1.936   , r3     =  2.366  , r4    =  2.581 , 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) =   11     , iat(2) =   11    , 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     =  1.810 ,
 r2     =  2.037   , r3     =  2.489  , r4    =  2.716 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   22    , 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     =  2.345 ,
 r2     =  2.639   , r3     =  3.225  , r4    =  3.518 , 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) =   12     , 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     =  1.854 ,
 r2     =  2.086   , r3     =  2.550  , r4    =  2.782 , 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) =   12     , 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     =  2.594 ,
 r2     =  2.918   , r3     =  3.566  , r4    =  3.890 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =   11    , 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     =  2.063 ,
 r2     =  2.321   , r3     =  2.837  , r4    =  3.095 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.114 ,
 r2     =  2.378   , r3     =  2.906  , r4    =  3.170 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.572 ,
 r2     =  2.893   , r3     =  3.536  , r4    =  3.858 , 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) =   10     , 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     =  1.710 ,
 r2     =  1.924   , r3     =  2.352  , r4    =  2.566 , 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) =   10     , 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     =  1.714 ,
 r2     =  1.929   , r3     =  2.357  , r4    =  2.571 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.774 ,
 r2     =  1.995   , r3     =  2.439  , r4    =  2.660 , 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) =   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     =  2.166 ,
 r2     =  2.436   , r3     =  2.978  , r4    =  3.248 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.466 ,
 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) =   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     =  1.752 ,
 r2     =  1.971   , r3     =  2.409  , r4    =  2.628 , 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) =   26     , iat(2) =   26    , 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     =  1.796 ,
 r2     =  2.020   , r3     =  2.469  , r4    =  2.694 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   26    , 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     =  2.042 ,
 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) =    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     =  2.086 ,
 r2     =  2.347   , r3     =  2.869  , r4    =  3.130 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.918 ,
 r2     =  2.158   , r3     =  2.638  , r4    =  2.878 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.035 ,
 r2     =  2.290   , r3     =  2.798  , r4    =  3.053 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.071 ,
 r2     =  2.330   , r3     =  2.848  , r4    =  3.107 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.183 ,
 r2     =  2.456   , r3     =  3.002  , r4    =  3.275 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.539 ,
 r2     =  2.857   , r3     =  3.491  , r4    =  3.809 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.904 ,
 r2     =  2.142   , r3     =  2.618  , r4    =  2.856 , 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) =   13     , iat(2) =   14    , 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     =  3.311 ,
 r2     =  3.725   , r3     =  4.553  , r4    =  4.967 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.878 ,
 r2     =  3.237   , r3     =  3.957  , r4    =  4.316 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.522 ,
 r2     =  2.838   , r3     =  3.468  , r4    =  3.784 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.692 ,
 r2     =  4.153   , r3     =  5.076  , r4    =  5.538 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = '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) =    8     , iat(2) =    8    , 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     =  2.539 ,
 r2     =  2.857   , r3     =  3.491  , r4    =  3.809 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.935 ,
 r2     =  3.302   , r3     =  4.036  , r4    =  4.403 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   28     , iat(2) =   28    , 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     =  3.179 ,
 r2     =  3.577   , r3     =  4.371  , r4    =  4.769 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   28     , iat(2) =   28    , 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     =  2.327 ,
 r2     =  2.618   , r3     =  3.200  , r4    =  3.491 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.130 ,
 r2     =  3.522   , r3     =  4.304  , r4    =  4.696 , 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) =   14     , 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     =  2.844 ,
 r2     =  3.200   , r3     =  3.911  , r4    =  4.266 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.160 ,
 r2     =  2.430   , r3     =  2.970  , r4    =  3.240 , 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) =   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     =  2.314 ,
 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) =   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     =  2.572 ,
 r2     =  2.893   , r3     =  3.536  , r4    =  3.858 , 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) =   19     , 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     =  2.426 ,
 r2     =  2.730   , r3     =  3.336  , r4    =  3.640 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.702 ,
 r2     =  4.164   , r3     =  5.090  , r4    =  5.552 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.017 ,
 r2     =  3.394   , r3     =  4.148  , r4    =  4.525 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.173 ,
 r2     =  2.444   , r3     =  2.988  , r4    =  3.259 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  2.279 ,
 r2     =  2.564   , r3     =  3.134  , r4    =  3.419 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.074 ,
 r2     =  2.334   , r3     =  2.852  , r4    =  3.112 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  4.500 ,
 r2     =  5.062   , r3     =  6.188  , r4    =  6.750 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.511 ,
 r2     =  3.950   , r3     =  4.828  , r4    =  5.267 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.998 ,
 r2     =  3.372   , r3     =  4.122  , r4    =  4.496 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.694 ,
 r2     =  3.030   , r3     =  3.704  , r4    =  4.040 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 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) =   11     , iat(2) =   11    , 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     =  2.142 ,
 r2     =  2.409   , r3     =  2.945  , r4    =  3.212 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   23    , 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     =  2.402 ,
 r2     =  2.702   , r3     =  3.302  , r4    =  3.602 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   25    , 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     =  2.305 ,
 r2     =  2.593   , r3     =  3.169  , r4    =  3.457 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   23    , 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     =  3.248 ,
 r2     =  3.654   , r3     =  4.466  , r4    =  4.872 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.258 ,
 r2     =  3.665   , r3     =  4.479  , r4    =  4.886 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.329 ,
 r2     =  2.620   , r3     =  3.202  , r4    =  3.493 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.013 ,
 r2     =  3.389   , r3     =  4.143  , r4    =  4.519 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.266 ,
 r2     =  2.549   , r3     =  3.115  , r4    =  3.398 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  2.519 ,
 r2     =  2.834   , r3     =  3.464  , r4    =  3.779 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  3.058 ,
 r2     =  3.441   , r3     =  4.205  , r4    =  4.588 , 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) =   17     , iat(2) =   17    , 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     =  2.369 ,
 r2     =  2.665   , r3     =  3.257  , r4    =  3.553 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.422 ,
 r2     =  2.725   , r3     =  3.331  , r4    =  3.634 , 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) =    7     , iat(2) =    7    , 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     =  2.318 ,
 r2     =  2.608   , r3     =  3.188  , r4    =  3.478 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.390 ,
 r2     =  2.689   , r3     =  3.287  , r4    =  3.586 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 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) =    4     , iat(2) =    4    , 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     =  2.343 ,
 r2     =  2.636   , r3     =  3.222  , r4    =  3.515 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.763 ,
 r2     =  3.109   , r3     =  3.799  , r4    =  4.145 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.678 ,
 r2     =  3.012   , r3     =  3.682  , r4    =  4.016 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 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) =   12     , iat(2) =   12    , 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     =  2.199 ,
 r2     =  2.474   , r3     =  3.024  , r4    =  3.299 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.398 ,
 r2     =  2.698   , r3     =  3.298  , r4    =  3.598 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.062 ,
 r2     =  3.445   , r3     =  4.210  , r4    =  4.593 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.898 ,
 r2     =  2.135   , r3     =  2.609  , r4    =  2.846 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.406 ,
 r2     =  2.707   , r3     =  3.309  , r4    =  3.610 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.975 ,
 r2     =  2.222   , r3     =  2.716  , r4    =  2.963 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.280 ,
 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) =   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     =  1.978 ,
 r2     =  2.225   , r3     =  2.719  , r4    =  2.966 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.869 ,
 r2     =  2.102   , r3     =  2.570  , r4    =  2.803 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.512 ,
 r2     =  2.826   , r3     =  3.454  , r4    =  3.768 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.920 ,
 r2     =  2.160   , r3     =  2.640  , r4    =  2.880 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.446 ,
 r2     =  2.752   , r3     =  3.364  , r4    =  3.670 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.484 ,
 r2     =  2.795   , r3     =  3.415  , r4    =  3.726 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  1.794 ,
 r2     =  2.019   , r3     =  2.467  , r4    =  2.692 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  3.084 ,
 r2     =  3.470   , r3     =  4.240  , r4    =  4.626 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.939 ,
 r2     =  2.182   , r3     =  2.666  , r4    =  2.909 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.828 ,
 r2     =  2.056   , r3     =  2.514  , r4    =  2.742 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.856 ,
 r2     =  2.088   , r3     =  2.552  , r4    =  2.784 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.954 ,
 r2     =  2.199   , r3     =  2.687  , r4    =  2.932 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.374 ,
 r2     =  2.670   , r3     =  3.264  , r4    =  3.560 , 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) =    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     =  2.452 ,
 r2     =  2.758   , r3     =  3.371  , r4    =  3.678 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.599 ,
 r2     =  2.924   , r3     =  3.574  , r4    =  3.899 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.702 ,
 r2     =  1.915   , r3     =  2.341  , r4    =  2.554 , 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) =   23     , iat(2) =   23    , 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     =  3.012 ,
 r2     =  3.389   , r3     =  4.141  , r4    =  4.518 , 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) =   25     , iat(2) =   25    , 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     =  1.815 ,
 r2     =  2.042   , r3     =  2.496  , r4    =  2.723 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = '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) =   23     , iat(2) =   23    , 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     =  1.802 ,
 r2     =  2.028   , r3     =  2.478  , r4    =  2.704 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   25    , 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     =  2.422 ,
 r2     =  2.725   , r3     =  3.331  , r4    =  3.634 , 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) =   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     =  2.606 ,
 r2     =  2.931   , r3     =  3.583  , r4    =  3.908 , 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) =   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     =  1.873 ,
 r2     =  2.107   , r3     =  2.575  , r4    =  2.809 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.110 ,
 r2     =  2.374   , r3     =  2.902  , r4    =  3.166 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.906 ,
 r2     =  2.145   , r3     =  2.621  , r4    =  2.860 , 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) =    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     =  2.565 ,
 r2     =  2.886   , r3     =  3.527  , r4    =  3.848 , 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) =    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     =  2.726 ,
 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) =    2     , iat(2) =    2    , 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     =  4.320 ,
 r2     =  4.860   , r3     =  5.940  , r4    =  6.480 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.568 ,
 r2     =  2.889   , r3     =  3.531  , r4    =  3.852 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  2.162   , r3     =  2.642  , r4    =  2.882 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  2.380 ,
 r2     =  2.678   , r3     =  3.272  , r4    =  3.570 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.415 ,
 r2     =  2.717   , r3     =  3.321  , r4    =  3.623 , 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) =   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     =  1.877 ,
 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) =   22     , iat(2) =   22    , 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     =  6.058  , 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) =   26     , iat(2) =   26    , 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     =  1.768 ,
 r2     =  1.989   , r3     =  2.431  , r4    =  2.652 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   26    , 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     =  2.429 ,
 r2     =  2.733   , r3     =  3.341  , r4    =  3.644 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.710 ,
 r2     =  1.924   , r3     =  2.352  , r4    =  2.566 , 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) = 'H1'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.054 ,
 r2     =  4.560   , r3     =  5.574  , 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) =    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     =  2.574 ,
 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) =   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     =  1.786 ,
 r2     =  2.010   , r3     =  2.456  , r4    =  2.680 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.146 ,
 r2     =  2.414   , r3     =  2.950  , r4    =  3.218 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.445 ,
 r2     =  2.751   , r3     =  3.362  , r4    =  3.667 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  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) =    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     =  2.017 ,
 r2     =  2.269   , r3     =  2.773  , r4    =  3.025 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.937 ,
 r2     =  2.179   , r3     =  2.663  , r4    =  2.905 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.055 ,
 r2     =  3.437   , r3     =  4.201  , r4    =  4.583 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   25    , 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     =  3.891 ,
 r2     =  4.378   , r3     =  5.350  , r4    =  5.837 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.074 ,
 r2     =  2.333   , r3     =  2.851  , r4    =  3.110 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.462 ,
 r2     =  2.769   , r3     =  3.385  , r4    =  3.692 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.476 ,
 r2     =  2.786   , r3     =  3.405  , r4    =  3.714 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.842 ,
 r2     =  2.073   , r3     =  2.533  , r4    =  2.764 , 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) =   19    , 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     =  2.004 ,
 r2     =  2.255   , r3     =  2.756  , r4    =  3.006 , 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) =   21     , iat(2) =   21    , 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     =  2.271 ,
 r2     =  2.555   , r3     =  3.123  , r4    =  3.407 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.027 ,
 r2     =  2.281   , r3     =  2.787  , r4    =  3.041 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.125 ,
 r2     =  2.390   , r3     =  2.922  , r4    =  3.187 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.950 ,
 r2     =  2.194   , r3     =  2.682  , r4    =  2.926 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  1.916 ,
 r2     =  2.155   , r3     =  2.635  , r4    =  2.874 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.800 ,
 r2     =  2.025   , r3     =  2.475  , r4    =  2.700 , 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) =    4    , 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     =  2.026 ,
 r2     =  2.279   , r3     =  2.785  , r4    =  3.038 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.238 ,
 r2     =  2.517   , r3     =  3.077  , r4    =  3.356 , 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) =   28     , iat(2) =   28    , 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     =  2.561 ,
 r2     =  2.881   , r3     =  3.521  , r4    =  3.841 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   28     , iat(2) =   28    , 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     =  1.936 ,
 r2     =  2.178   , r3     =  2.662  , r4    =  2.904 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.465 ,
 r2     =  2.773   , r3     =  3.389  , r4    =  3.697 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.936 ,
 r2     =  2.178   , r3     =  2.662  , r4    =  2.904 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.916 ,
 r2     =  2.155   , r3     =  2.635  , r4    =  2.874 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   27    , 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     =  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) =   26     , iat(2) =   26    , 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     =  2.408 ,
 r2     =  2.709   , r3     =  3.311  , r4    =  3.612 , 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) =   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     =  1.926 ,
 r2     =  2.167   , r3     =  2.649  , r4    =  2.890 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.058 ,
 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) =    9     , iat(2) =    9    , 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     =  2.282 ,
 r2     =  2.567   , r3     =  3.137  , r4    =  3.422 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  1.905 ,
 r2     =  2.143   , r3     =  2.619  , r4    =  2.857 , 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) =   16     , iat(2) =   16    , 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     =  1.972 ,
 r2     =  2.218   , r3     =  2.711  , r4    =  2.958 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.882 ,
 r2     =  2.118   , r3     =  2.588  , r4    =  2.824 , 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) =   26     , iat(2) =   26    , 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     =  1.786 ,
 r2     =  2.010   , r3     =  2.456  , r4    =  2.680 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.188 ,
 r2     =  2.461   , r3     =  3.008  , r4    =  3.282 , 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) =    2     , iat(2) =    2    , 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     =  1.995 ,
 r2     =  2.245   , r3     =  2.743  , r4    =  2.993 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.066 ,
 r2     =  2.325   , r3     =  2.841  , 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) =   12     , iat(2) =   12    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.278 ,
 r2     =  2.563   , r3     =  3.133  , r4    =  3.418 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.090 ,
 r2     =  2.352   , r3     =  2.874  , r4    =  3.136 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.798 ,
 r2     =  2.023   , r3     =  2.473  , r4    =  2.698 , 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) =   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     =  3.705 ,
 r2     =  4.168   , r3     =  5.094  , r4    =  5.557 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.559 ,
 r2     =  2.879   , r3     =  3.519  , r4    =  3.839 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.097 ,
 r2     =  4.609   , r3     =  5.633  , r4    =  6.145 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.631 ,
 r2     =  4.085   , r3     =  4.993  , r4    =  5.447 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.869 ,
 r2     =  4.352   , r3     =  5.319  , r4    =  5.803 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.935 ,
 r2     =  4.427   , r3     =  5.411  , r4    =  5.903 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.270 ,
 r2     =  3.678   , r3     =  4.496  , r4    =  4.904 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   26    , 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     =  3.230 ,
 r2     =  3.634   , r3     =  4.442  , r4    =  4.846 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.930 ,
 r2     =  4.421   , r3     =  5.403  , r4    =  5.894 , 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) =   10     , 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     =  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) =   24     , iat(2) =   24    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.266 ,
 r2     =  2.550   , r3     =  3.116  , r4    =  3.400 , 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) =    1    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.240 ,
 r2     =  2.520   , r3     =  3.080  , r4    =  3.360 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.447 ,
 r2     =  2.753   , r3     =  3.365  , r4    =  3.671 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.342 ,
 r2     =  2.634   , r3     =  3.220  , r4    =  3.512 , 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) =   16     , iat(2) =   16    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.295 ,
 r2     =  2.582   , r3     =  3.156  , r4    =  3.443 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.272 ,
 r2     =  2.556   , r3     =  3.124  , r4    =  3.408 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.233 ,
 r2     =  2.512   , r3     =  3.070  , r4    =  3.349 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.750 ,
 r2     =  4.219   , r3     =  5.157  , r4    =  5.626 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.956 ,
 r2     =  5.575   , r3     =  6.814  , r4    =  7.434 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.407 ,
 r2     =  2.708   , r3     =  3.310  , r4    =  3.611 , 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) =   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     =  3.104 ,
 r2     =  3.492   , r3     =  4.268  , r4    =  4.656 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.966 ,
 r2     =  3.337   , r3     =  4.079  , r4    =  4.450 , 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) =   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     =  2.098 ,
 r2     =  2.360   , r3     =  2.884  , r4    =  3.146 , 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) =   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     =  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) =    8     , iat(2) =    7    , 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     =  2.455 ,
 r2     =  2.762   , 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) =   24     , iat(2) =   25    , 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     =  3.163 ,
 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) =   10     , iat(2) =   11    , 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     =  3.119 ,
 r2     =  3.509   , r3     =  4.289  , r4    =  4.679 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.283 ,
 r2     =  3.694   , r3     =  4.514  , r4    =  4.925 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.495 ,
 r2     =  3.932   , r3     =  4.806  , r4    =  5.243 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.379 ,
 r2     =  3.802   , r3     =  4.646  , r4    =  5.069 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.394 ,
 r2     =  3.819   , r3     =  4.667  , r4    =  5.092 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H1'''  , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.320 ,
 r2     =  3.735   , r3     =  4.565  , r4    =  4.980 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   24     , iat(2) =   24    , 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     =  3.302 ,
 r2     =  3.714   , r3     =  4.540  , r4    =  4.952 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.709 ,
 r2     =  3.047   , r3     =  3.725  , r4    =  4.063 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.361 ,
 r2     =  3.781   , r3     =  4.621  , r4    =  5.041 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H2  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.650 ,
 r2     =  4.107   , r3     =  5.019  , r4    =  5.476 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =   10    , 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     =  3.307 ,
 r2     =  3.721   , r3     =  4.547  , 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) =   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     =  3.363 ,
 r2     =  3.784   , r3     =  4.624  , r4    =  5.045 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.412 ,
 r2     =  3.838   , r3     =  4.691  , r4    =  5.118 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =   11    , 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     =  3.395 ,
 r2     =  3.820   , r3     =  4.668  , r4    =  5.093 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.138 ,
 r2     =  3.531   , r3     =  4.315  , r4    =  4.708 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   27     , iat(2) =   26    , 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     =  4.839 ,
 r2     =  5.444   , r3     =  6.654  , r4    =  7.259 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.733 ,
 r2     =  4.199   , r3     =  5.133  , r4    =  5.599 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H6  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.119 ,
 r2     =  4.634   , r3     =  5.664  , r4    =  6.179 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.382 ,
 r2     =  3.805   , r3     =  4.651  , r4    =  5.074 , 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) =   10     , iat(2) =   10    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.119 ,
 r2     =  2.384   , r3     =  2.914  , r4    =  3.179 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   28     , iat(2) =   28    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.459 ,
 r2     =  2.767   , r3     =  3.381  , r4    =  3.689 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   26    , 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     =  3.112 ,
 r2     =  3.501   , r3     =  4.279  , r4    =  4.668 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.436 ,
 r2     =  3.865   , r3     =  4.725  , r4    =  5.154 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.505 ,
 r2     =  3.943   , r3     =  4.819  , r4    =  5.257 , 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) =    2     , iat(2) =    2    , 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     =  4.329 ,
 r2     =  4.870   , r3     =  5.952  , r4    =  6.493 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.850 ,
 r2     =  4.332   , r3     =  5.294  , r4    =  5.776 , 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) =   14     , 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     =  3.891 ,
 r2     =  4.378   , r3     =  5.350  , r4    =  5.837 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.304 ,
 r2     =  3.717   , r3     =  4.543  , r4    =  4.956 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.318 ,
 r2     =  2.608   , r3     =  3.188  , r4    =  3.478 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   24    , 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     =  2.590 ,
 r2     =  2.914   , r3     =  3.562  , r4    =  3.886 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.827 ,
 r2     =  3.181   , r3     =  3.887  , r4    =  4.241 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H5  ' , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.928 ,
 r2     =  3.294   , r3     =  4.026  , r4    =  4.392 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   26    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.278 ,
 r2     =  2.563   , r3     =  3.133  , r4    =  3.418 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   26    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.770 ,
 r2     =  3.116   , r3     =  3.808  , r4    =  4.154 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H3'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.728 ,
 r2     =  4.194   , r3     =  5.126  , r4    =  5.592 , 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) =   13     , 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     =  3.746 ,
 r2     =  4.214   , r3     =  5.150  , r4    =  5.618 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.353 ,
 r2     =  2.647   , r3     =  3.235  , r4    =  3.529 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''1',
 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) =   20     , iat(2) =   20    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.391 ,
 r2     =  2.690   , r3     =  3.288  , r4    =  3.587 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''1',
 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) =    1     , iat(2) =    1    , 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     =  2.063 ,
 r2     =  2.321   , r3     =  2.837  , r4    =  3.095 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   25    , 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     =  2.996 ,
 r2     =  3.370   , r3     =  4.119  , r4    =  4.494 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.042 ,
 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) =   26     , iat(2) =   25    , 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     =  3.557 ,
 r2     =  4.001   , r3     =  4.891  , r4    =  5.335 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.899 ,
 r2     =  4.387   , r3     =  5.361  , r4    =  5.849 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H8  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.541 ,
 r2     =  3.984   , r3     =  4.870  , r4    =  5.312 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   25     , iat(2) =   24    , 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     =  3.442 ,
 r2     =  3.873   , r3     =  4.733  , r4    =  5.164 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  4.549 ,
 r2     =  5.117   , r3     =  6.255  , r4    =  6.823 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.389 ,
 r2     =  3.812   , r3     =  4.660  , r4    =  5.083 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   23    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.786 ,
 r2     =  3.135   , r3     =  3.831  , r4    =  4.180 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''2',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.234 ,
 r2     =  2.513   , r3     =  3.071  , r4    =  3.350 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.246 ,
 r2     =  3.651   , r3     =  4.463  , r4    =  4.868 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.282 ,
 r2     =  2.567   , r3     =  3.137  , r4    =  3.422 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  3.074 ,
 r2     =  3.458   , r3     =  4.226  , r4    =  4.610 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'H4'''  , atnam(2) = 'H2''1',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.298 ,
 r2     =  2.585   , r3     =  3.159  , r4    =  3.446 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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     =  2.636 ,
 r2     =  2.966   , r3     =  3.625  , r4    =  3.954 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =   11    , 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     =  2.594 ,
 r2     =  2.919   , r3     =  3.567  , r4    =  3.892 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.710 ,
 r2     =  3.049   , r3     =  3.726  , r4    =  4.065 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  1.980 ,
 r2     =  2.227   , r3     =  2.722  , r4    =  2.969 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.629 ,
 r2     =  4.083   , r3     =  4.990  , r4    =  5.444 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.605 ,
 r2     =  4.055   , r3     =  4.957  , r4    =  5.407 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.526 ,
 r2     =  5.092   , r3     =  6.223  , r4    =  6.789 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  6.059 ,
 r2     =  6.817   , r3     =  8.332  , r4    =  9.089 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.095 ,
 r2     =  2.357   , r3     =  2.881  , r4    =  3.143 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H6  ' ,
 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) =   10     , 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     =  4.279 ,
 r2     =  4.814   , r3     =  5.884  , r4    =  6.418 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.752 ,
 r2     =  4.221   , r3     =  5.158  , r4    =  5.627 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.492 ,
 r2     =  3.929   , r3     =  4.802  , r4    =  5.238 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.317 ,
 r2     =  3.732   , r3     =  4.561  , r4    =  4.976 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.805 ,
 r2     =  3.156   , r3     =  3.858  , r4    =  4.208 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H6  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.027 ,
 r2     =  2.281   , r3     =  2.788  , r4    =  3.041 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.392 ,
 r2     =  3.816   , r3     =  4.664  , r4    =  5.088 , 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) =   16     , iat(2) =   15    , 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     =  3.080 ,
 r2     =  3.465   , r3     =  4.235  , r4    =  4.620 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  5.067 ,
 r2     =  5.700   , r3     =  6.967  , r4    =  7.600 , 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) =   16     , iat(2) =   16    , 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     =  5.642 ,
 r2     =  6.347   , r3     =  7.757  , r4    =  8.462 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H8  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  2.549 ,
 r2     =  2.868   , r3     =  3.505  , r4    =  3.824 , 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) =   21     , iat(2) =   21    , 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     =  2.143 ,
 r2     =  2.411   , r3     =  2.946  , r4    =  3.214 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H1''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.584 ,
 r2     =  4.032   , r3     =  4.928  , r4    =  5.376 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H3''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.996 ,
 r2     =  4.495   , r3     =  5.494  , r4    =  5.993 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H5  ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  3.424 ,
 r2     =  3.851   , r3     =  4.707  , r4    =  5.135 , 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) =   21     , iat(2) =   20    , 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     =  3.403 ,
 r2     =  3.828   , r3     =  4.679  , r4    =  5.105 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = 'C7  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.577 ,
 r2     =  5.150   , r3     =  6.294  , r4    =  6.866 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   22    , 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     =  2.623 ,
 r2     =  2.951   , r3     =  3.607  , r4    =  3.935 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   23    , 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     =  2.034 ,
 r2     =  2.289   , r3     =  2.797  , r4    =  3.051 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   22    , 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     =  4.495 ,
 r2     =  5.057   , r3     =  6.180  , r4    =  6.742 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   24    , 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     =  3.061 ,
 r2     =  3.443   , r3     =  4.208  , r4    =  4.591 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   22    , 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     =  2.802 ,
 r2     =  3.152   , r3     =  3.852  , r4    =  4.202 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   22    , 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     =  2.780 ,
 r2     =  3.127   , r3     =  3.822  , r4    =  4.170 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   23     , iat(2) =   24    , 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     =  4.084 ,
 r2     =  4.595   , r3     =  5.616  , r4    =  6.127 , 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) =   23     , iat(2) =   23    , 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     =  4.692 ,
 r2     =  5.278   , r3     =  6.451  , r4    =  7.038 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   25    , 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     =  2.719 ,
 r2     =  3.059   , 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) =   26     , iat(2) =   26    , 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     =  2.043 ,
 r2     =  2.299   , r3     =  2.809  , r4    =  3.065 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   25    , 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     =  4.091 ,
 r2     =  4.602   , r3     =  5.625  , r4    =  6.136 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   25    , 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     =  2.899 ,
 r2     =  3.261   , r3     =  3.986  , r4    =  4.348 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   25    , 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     =  4.475 ,
 r2     =  5.034   , r3     =  6.153  , r4    =  6.712 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end
 
 &rst
 iat(1) =   26     , iat(2) =   25    , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'C7  ' , atnam(2) = 'H4''',
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  4.512 ,
 r2     =  5.076   , r3     =  6.204  , r4    =  6.768 , rk2    =  10.00 ,
 rk3    =  10.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    28   , 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    27   , 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    26   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'N1  ' , atnam(2) = 'H3  ' ,
 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    25   , 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    24   , 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    23   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'N1  ' , atnam(2) = 'H3  ' ,
 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    21   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'N1  ' , atnam(2) = 'H3  ' ,
 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    17   , 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    16   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'N1  ' , atnam(2) = 'H3  ' ,
 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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) = '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    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    28   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'O1P ' , atnam(2) = 'H3T ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  9.000 ,
 r2     = 11.000   , r3     = 15.000  , r4    = 17.000 , rk2    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 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) =    14   , iat(3) =   0   , iat(4) =    0   ,
 atnam(1) = 'O1P ' , atnam(2) = 'H3T ' ,
 iresid =    1     , nstep1 =    0    , nstep2 =   0   , irstyp =    0   ,
 ifvari =    0     , ninc   =    0    , imult  =   0   , r1     =  9.000 ,
 r2     = 11.000   , r3     = 15.000  , r4    = 17.000 , rk2    =  25.00 ,
 rk3    =  25.00   , r1a    =   0.0   , r2a   =   0.0  , r3a    =   0.0  ,
 r4a    =   0.0    , rk2a   =   0.0   , rk3a  =   0.0  ,
 igr1(1) =   0     , igr2(1) =   0    , ir6   =    0   , ifntyp  =   0
 &end

 &rst iat(1) = 0 &end 



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