* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    149    219     438
    1     0 S   NP   _N1_     1    28.55909    96.17556   -21.36206
    2     1 S   H    _HN1     2     1.02778    91.00254   -82.90999
    3     1 S   H    _H1_     3     1.02949    77.91573    25.69772
    4     1 S   H    _H2_     4     1.02830    40.92817   160.39925
    5     1 S   CT   _CA1     5     1.50144   149.76508   135.57939
    6     5 S   HC   _HA1     6     1.09571   105.15681    76.22809
    7     5 S   CO3  _C1_     7     1.53777   112.53626   -43.88609
    8     7 S   O2Z  _O11     8     1.26368   114.98759   -38.42486
    9     7 S   O2Z  _O12     9     1.26232   115.00409   140.76907
   10     5 S   CT   _CB1    10     1.53113   107.41974  -165.75702
   11    10 S   HC   HB11    11     1.09823   109.31160   -48.89842
   12    10 S   HC   HB12    12     1.09819   110.44240    67.72961
   13    10 S   CT   _CG1    13     1.52980   112.66616  -169.92540
   14    13 S   HC   HG11    14     1.09555   110.52595   -66.31727
   15    13 S   HC   HG12    15     1.09672   109.87648    52.86022
   16    13 S   C    _CD1    16     1.51834   112.42633   173.13304
   17    16 S   O    _OE1    17     1.22713   123.35067     1.87576
   18    16 S   N    _N2_    18     1.38613   111.54390  -177.99895
   19    18 S   H    _HN2    19     1.01604   118.86997     0.62181
   20    18 S   CT1  _CA2    20     1.46272   123.56231   177.91231
   21    20 S   HC   _HA2    21     1.09738   109.40855    -8.11169
   22    20 S   C    _C2_    22     1.53433   108.23589  -123.48539
   23    22 S   O    _O2_    23     1.23022   122.42276  -147.73856
   24    20 S   CT   _CB2    32     1.53252   111.34137   114.17547
   25    24 S   HC   HB21    33     1.09642   109.85871    53.36630
   26    24 S   HC   HB22    34     1.09534   110.79578   172.02910
   27    22 S   N    _N3_    24     1.38376   113.44011    39.77704
   28    27 S   H    _HN3    25     1.01636   119.48395    -3.64142
   29    24 S   S    _SG2    35     1.82583   111.30652   -68.32319
   30    27 S   CT   _CA3    26     1.45285   123.18107   176.98351
   31    30 S   HC   HA31    27     1.09551   107.53082   -63.81182
   32    30 S   HC   HA32    28     1.09557   107.95207    52.61111
   33    29 S   CM   _C10    36     1.75527    99.49689   163.00429
   34    30 S   CO3  _C3_    29     1.52947   114.09314   174.57888
   35    34 S   O2Z  _O31    30     1.26373   116.04304    -1.03230
   36    34 S   O2Z  _O32    31     1.26426   114.41795   179.02763
   37    33 S   CM   _C11    37     1.35034   122.59265    91.25215
   38    37 S   HC   _H13    38     1.08715   117.06547   179.28701
   39    33 S   CT   _C9_    67     1.52699   115.11847   -88.95416
   40    39 S   HC   _H3_    68     1.09777   109.65162    36.05272
   41    37 S   CM   _C12    39     1.45051   127.95658    -0.55778
   42    41 S   HC   _H14    40     1.08725   117.27842    -2.13194
   43    39 S   CT   _C8_    69     1.53655   111.26359   -85.93109
   44    43 S   HC   _H11    70     1.09576   111.18996    42.48722
   45    43 S   HC   _H12    71     1.09796   110.10394   -74.86466
   46    39 S   OH   _O35    83     1.43097   111.24931   152.98407
   47    46 S   HO   _H30    84     0.97272   107.33320   -61.59525
   48    41 S   CM   _C13    41     1.34304   126.52397   178.76679
   49    48 S   HC   _H15    42     1.08973   116.77179   179.02321
   50    43 S   CM   _C7_    72     1.50496   111.68686   165.72164
   51    50 S   HC   _H10    73     1.08851   115.71256    82.14490
   52    48 S   CT   _C14    43     1.50268   128.53169    -1.71144
   53    52 S   HC   _H16    44     1.09714   108.03165  -131.94217
   54    52 S   HC   _H17    45     1.09427   111.96818   -15.69872
   55    50 S   CM   _C6_    74     1.34221   126.55043   -99.03147
   56    55 S   HC   _H9_    75     1.08871   117.54481  -178.60731
   57    52 S   CT   _C15    46     1.52972   111.15676   107.66986
   58    57 S   HC   _H18    47     1.09745   109.70150   -59.76540
   59    57 S   HC   _H19    48     1.09743   109.83657    57.57879
   60    55 S   CT   _C5_    76     1.50085   126.85223     3.24341
   61    60 S   HC   _H7_    77     1.09588   108.30579   132.26133
   62    60 S   HC   _H8_    78     1.09460   111.82814    15.74011
   63    57 S   CT   _C16    49     1.52998   111.27079   178.96883
   64    63 S   HC   _H20    50     1.09681   109.55635   -58.62695
   65    63 S   HC   _H21    51     1.09682   109.56646    58.66923
   66    60 S   CT   _C4_    79     1.51965   111.51778  -107.29296
   67    66 S   HC   _H4_    80     1.09525   111.16858    60.81984
   68    66 S   HC   _H5_    81     1.09523   111.25067   -59.82842
   69    66 S   HC   _H6_    82     1.09462   110.19421  -179.57296
   70    63 S   CT   _C17    52     1.52958   111.33433  -180.00000
   71    70 S   HC   _H22    53     1.09680   109.56466   -58.64491
   72    70 S   HC   _H23    54     1.09681   109.56286    58.65629
   73    70 S   CT   _C18    55     1.52999   111.32196   180.00000
   74    73 S   HC   _H24    56     1.09605   109.34375   -58.23776
   75    73 S   HC   _H25    57     1.09685   109.49808    58.78332
   76    73 S   CT   _C19    58     1.53133   111.23965   179.94065
   77    76 S   HC   _H26    59     1.09647   109.86302    57.87443
   78    76 S   HC   _H27    60     1.09705   108.98721   -58.71066
   79    76 S   CT   _C20    61     1.52598   112.30708  -178.94835
   80    79 S   HC   _H28    62     1.09738   108.45480   170.28457
   81    79 S   HC   _H29    63     1.09714   109.46224    54.16570
   82    79 S   CO3  _C21    64     1.53236   116.49876   -69.97858
   83    82 S   O2Z  _O34    65     1.26165   116.38377   -22.48178
   84    82 S   O2Z  _O33    66     1.26477   114.25231   158.24056
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  13   2   1   1  10   4  10   6   7   3   9   5   4   2   1   8
   4   7   3   9   5   4   8   4   9   5   4   6   5   4   9   5
   4   3   2   1   1   9   5   4   9   5   4   8   5   4   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    39    40    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    48    39    40    43    44    45    50    46    47  
   35    36  
   36  
    0  
   38    41    42    48    49    52    39    40    43    46  
   41    42    48    39  
   40    43    44    45    50    51    55    46    47    41  
   43    44    45    50    46    47  
   42    48    49    52    53    54    57  
   48    49    52  
   44    45    50    51    55    56    60    46    47  
   45    50    51    55    46  
   50    51    55    46  
   47    50  
    0  
   49    52    53    54    57    58    59    63  
   52    53    54    57  
   51    55    56    60    61    62    66  
   55    56    60  
   53    54    57    58    59    63    64    65    70  
   54    57    58    59    63  
   57    58    59    63  
   56    60    61    62    66    67    68    69  
   60    61    62    66  
   58    59    63    64    65    70    71    72    73  
   59    63    64    65    70  
   63    64    65    70  
   61    62    66    67    68    69  
   62    66    67    68    69  
   66    67    68    69  
   64    65    70    71    72    73    74    75    76  
   65    70    71    72    73  
   70    71    72    73  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    41   380.000  1.444
   41    42   340.000  1.080
   41    48   549.000  1.340
   48    49   340.000  1.080
   48    52   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   656.000  1.250
   82    84   656.000  1.250
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.510
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    39    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    41    70.00000  123.01800
   33    39    40    35.00000  109.50000
   33    39    43    70.00000  112.02700
   33    39    46    90.00000  110.39200
   37    41    42    35.00000  120.00000
   37    41    48    70.00000  123.01800
   41    37    38    35.00000  120.00000
   41    48    49    35.00000  120.00000
   41    48    52    70.00000  124.00000
   48    41    42    35.00000  120.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    57    70.00000  112.02700
   52    48    49    35.00000  117.00000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    70.00000  109.69300
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    70.00000  117.00000
   79    82    84    70.00000  117.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   84    82    83    80.00000  126.00000
   39    33    37    70.00000  124.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    50    70.00000  112.02700
   39    46    47    55.00000  108.50000
   43    39    40    37.50000  110.70000
   43    50    51    35.00000  117.00000
   43    50    55    70.00000  124.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    55    56    35.00000  120.00000
   50    55    60    70.00000  124.00000
   55    50    51    35.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    66    70.00000  112.02700
   60    55    56    35.00000  117.00000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    39   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    41   7.00000 -1.0 2.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.09700  1.0 1.0
   29    33    39    43   0.15600 -1.0 2.0
   29    33    39    43  -0.50800  1.0 3.0
   29    33    39    46   0.09700  1.0 1.0
   29    33    39    46   0.15600 -1.0 2.0
   29    33    39    46  -0.50800  1.0 3.0
   33    37    41    42  -0.18600  1.0 3.0
   33    37    41    48   0.28850  1.0 1.0
   33    37    41    48   2.61350 -1.0 2.0
   33    37    41    48   0.78400  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    50   0.31000  1.0 1.0
   33    39    43    50   0.14700 -1.0 2.0
   33    39    43    50   0.07550  1.0 3.0
   33    39    46    47  -0.07800  1.0 1.0
   33    39    46    47  -0.21500 -1.0 2.0
   33    39    46    47  -0.03150  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    43   0.09850  1.0 1.0
   37    33    39    43   0.15250 -1.0 2.0
   37    33    39    43  -0.50650  1.0 3.0
   37    33    39    46   0.67800  1.0 1.0
   37    33    39    46   0.47050 -1.0 2.0
   37    33    39    46  -0.62500  1.0 3.0
   37    41    48    49   7.00000 -1.0 2.0
   37    41    48    52   7.00000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    48  -0.18600  1.0 3.0
   41    48    52    53   0.00000  1.0 1.0
   41    48    52    54   0.00000  1.0 1.0
   41    48    52    57   0.09850  1.0 1.0
   41    48    52    57   0.15250 -1.0 2.0
   41    48    52    57  -0.50650  1.0 3.0
   42    41    48    49   7.00000 -1.0 2.0
   42    41    48    52   7.00000 -1.0 2.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    63   0.34400  1.0 1.0
   48    52    57    63   0.09450 -1.0 2.0
   48    52    57    63   0.11100  1.0 3.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    54   0.33100  1.0 3.0
   49    48    52    57   0.00000  1.0 1.0
   52    57    63    64   0.15000  1.0 3.0
   52    57    63    65   0.15000  1.0 3.0
   52    57    63    70   0.56750  1.0 1.0
   52    57    63    70  -0.07550 -1.0 2.0
   52    57    63    70   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    63   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    63   0.15000  1.0 3.0
   57    63    70    71   0.15000  1.0 3.0
   57    63    70    72   0.15000  1.0 3.0
   57    63    70    73   0.56750  1.0 1.0
   57    63    70    73  -0.07550 -1.0 2.0
   57    63    70    73   0.20000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    70   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    70   0.15000  1.0 3.0
   63    70    73    74   0.15000  1.0 3.0
   63    70    73    75   0.15000  1.0 3.0
   63    70    73    76   0.56750  1.0 1.0
   63    70    73    76  -0.07550 -1.0 2.0
   63    70    73    76   0.20000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.56750  1.0 1.0
   70    73    76    79  -0.07550 -1.0 2.0
   70    73    76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82  -1.63150  1.0 1.0
   73    76    79    82  -0.43550 -1.0 2.0
   73    76    79    82   0.24500  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.41150 -1.0 2.0
   76    79    82    84   0.41150 -1.0 2.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82  -0.11250  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82  -0.11250  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   39    33    37    38   7.00000 -1.0 2.0
   39    33    37    41   7.00000 -1.0 2.0
   39    43    50    51   0.00000  1.0 1.0
   39    43    50    55   0.09850  1.0 1.0
   39    43    50    55   0.15250 -1.0 2.0
   39    43    50    55  -0.50650  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    50   0.15000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   43    39    46    47  -0.11600  1.0 1.0
   43    39    46    47  -0.09450 -1.0 2.0
   43    39    46    47   0.21250  1.0 3.0
   43    50    55    56   7.00000 -1.0 2.0
   43    50    55    60   7.00000 -1.0 2.0
   44    43    50    51   0.33100  1.0 3.0
   44    43    50    55   0.00000  1.0 1.0
   45    43    50    51   0.33100  1.0 3.0
   45    43    50    55   0.00000  1.0 1.0
   50    55    60    61   0.00000  1.0 1.0
   50    55    60    62   0.00000  1.0 1.0
   50    55    60    66   0.09850  1.0 1.0
   50    55    60    66   0.15250 -1.0 2.0
   50    55    60    66  -0.50650  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    60   7.00000 -1.0 2.0
   55    60    66    67   0.15000  1.0 3.0
   55    60    66    68   0.15000  1.0 3.0
   55    60    66    69   0.15000  1.0 3.0
   56    55    60    61   0.33100  1.0 3.0
   56    55    60    62   0.33100  1.0 3.0
   56    55    60    66   0.00000  1.0 1.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    50   1.05650  1.0 1.0
   46    39    43    50   0.15600 -1.0 2.0
   46    39    43    50   0.53150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   29    39    33    37  15.00000 -1.0 2.0
   41    38    37    33  15.00000 -1.0 2.0
   37    42    41    48  15.00000 -1.0 2.0
   52    49    48    41  15.00000 -1.0 2.0
   83    79    82    84  10.50000 -1.0 2.0
   43    51    50    55  15.00000 -1.0 2.0
   60    56    55    50  15.00000 -1.0 2.0
END
