* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    238     444
    1     0 S   NP   _N1_     1    29.48571    94.50472   -17.71960
    2     1 S   H    _HN1     2     1.02793    66.03249   -72.25783
    3     1 S   H    _H1_     3     1.02867   105.86766    30.97544
    4     1 S   H    _H2_     4     1.02963    44.55273   129.70905
    5     1 S   CT   _CA1     5     1.50519   140.70980  -168.37554
    6     5 S   HC   _HA1     6     1.09692   104.65792    22.10496
    7     5 S   CO3  _C1_     7     1.54543   110.82497   -93.72082
    8     7 S   O2Z  _O11     8     1.26084   116.75513  -117.60339
    9     7 S   O2Z  _O12     9     1.26559   113.71892    61.25342
   10     5 S   CT   _CB1    10     1.53098   106.97164   138.01004
   11    10 S   HC   HB11    11     1.09829   109.94483   -44.08898
   12    10 S   HC   HB12    12     1.09762   110.11405    72.44166
   13    10 S   CT   _CG1    13     1.53050   112.39457  -164.80539
   14    13 S   HC   HG11    14     1.09485   110.68529   -52.72979
   15    13 S   HC   HG12    15     1.09623   110.13366    66.03038
   16    13 S   C    _CD1    16     1.51800   111.79662  -174.17607
   17    16 S   O    _OE1    17     1.22743   122.97293   -23.29599
   18    16 S   N    _N2_    18     1.38497   111.83888   157.84865
   19    18 S   H    _HN2    19     1.01577   118.97600     1.44116
   20    18 S   CT1  _CA2    20     1.46217   123.68254  -176.42675
   21    20 S   HC   _HA2    21     1.09728   109.41205   -19.84752
   22    20 S   C    _C2_    22     1.53415   107.96801  -135.55819
   23    22 S   O    _O2_    23     1.22991   122.39319  -144.36921
   24    20 S   CT   _CB2    32     1.53607   110.93348   102.56870
   25    24 S   HC   HB21    33     1.09299   109.27629    51.31752
   26    24 S   HC   HB22    34     1.09502   110.67891   169.25537
   27    22 S   N    _N3_    24     1.38558   113.21402    42.95062
   28    27 S   H    _HN3    25     1.01540   118.89692    -0.45413
   29    24 S   S    _SG2    35     1.83114   111.52043   -72.60945
   30    27 S   CT   _CA3    26     1.45449   123.40532   175.11741
   31    30 S   HC   HA31    27     1.09526   109.17948    25.33641
   32    30 S   HC   HA32    28     1.09494   107.13033   142.33658
   33    29 S   CT   _C15    36     1.89901   103.06371   135.83600
   34    30 S   CO3  _C3_    29     1.52936   113.17827   -98.09924
   35    34 S   O2Z  _O31    30     1.26397   115.43348   -43.54687
   36    34 S   O2Z  _O32    31     1.26359   114.95986   137.39258
   37    33 S   CT   _C14    37     1.53823   112.02627    51.00404
   38    37 S   HC   _H6_    38     1.09242   113.91768   -53.19488
   39    33 S   CT   _C16    73     1.54245   105.01401   -70.97804
   40    39 S   HC   _H14    74     1.09235   112.57189   170.68401
   41    39 S   HC   _H15    75     1.09482   111.71434    53.64346
   42    37 S   CT   _C13    39     1.53584   104.43841    67.14217
   43    42 S   HC   _H5_    40     1.09656   109.81878   -86.75278
   44    37 S   OS   _O36    61     1.43041   108.37217  -170.11969
   45    39 S   OH   _O35    76     1.42086   111.42498   -66.77697
   46    45 S   HO   _H16    77     0.97626   107.59683   179.79252
   47    42 S   CT   _C12    41     1.53456   104.88522    30.06243
   48    47 S   HC   _H12    42     1.08857   112.58362   129.71744
   49    47 S   HC   _H13    43     1.09806   108.43796  -115.08419
   50    42 S   OH   _O37    71     1.41364   113.07154   154.15356
   51    50 S   HO   _H17    72     0.97242   107.56752  -177.38521
   52    33 S   CT   _C11    44     1.60812   111.30120   158.59988
   53    52 S   CT   _C8_    45     1.63304   112.93063   177.00461
   54    52 S   CT   _C17    67     1.54189   113.88090    47.85010
   55    54 S   HC   _H18    68     1.09240   112.02213    60.15252
   56    54 S   HC   _H19    69     1.09437   112.50232   -60.23458
   57    54 S   HC   _H20    70     1.09320   111.79853  -178.45820
   58    53 S   CT   _C7_    46     1.56717   108.73193    46.55206
   59    58 S   HC   _H3_    47     1.09600   108.21850    88.79885
   60    53 S   CT   _C18    62     1.58381   110.73412   164.07584
   61    60 S   HC   _H21    63     1.09284   111.70942    55.38562
   62    60 S   HC   _H22    64     1.09132   111.91924   -65.47197
   63    58 S   CM   _C6_    48     1.50181   115.99732  -153.95474
   64    63 S   HC   _H10    49     1.08919   114.82044  -170.02043
   65    60 S   OH   _O38    65     1.42443   112.67818   176.23594
   66    65 S   HO   _H23    66     0.97251   107.17418  -176.87613
   67    63 S   CM   _C5_    50     1.33831   126.99165     8.89682
   68    67 S   CO4  _C10    51     1.48523   118.85552     1.25507
   69    68 S   O    _O33    52     1.23200   119.93790  -171.25237
   70    67 S   CT   _C4_    57     1.49602   123.44500  -177.87128
   71    70 S   HC   _H7_    58     1.09492   110.50764   118.33759
   72    70 S   HC   _H8_    59     1.09515   111.97862    -1.63949
   73    70 S   HC   _H9_    60     1.09494   110.41721  -121.52433
   74    53 S   CT   _C9_    53     1.56487   112.62420   -76.85108
   75    74 S   HC   _H4_    54     1.08311   112.35787    44.25449
   76    74 S   OH   _O34    55     1.42728   111.13071   -73.91072
   77    76 S   HO   _H11    56     0.97341   107.34798   177.28978
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  23   2   1   1  19   8  10   4   3  11   7  11   2   1  13   5
   4   2   1  16  20   6   2   1   1  13   5   9   4   3   9   3
   2   1   9   9   4   4   2   1   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    52    53    44    54    39    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    49    52    53    58    74    44    60    54    55    56    57    50    39    40    41    45    46  
   35    36  
   36  
    0  
   38    42    43    47    48    49    52    53    58    59    63    44    54    50    51    39    40    41    45  
   42    43    47    52    58    44    50    39  
   40    41    45    46    42    44    47    52    53    54  
   41    45    46    52  
   45    46    52  
   43    47    48    49    52    53    58    44    54    50    51  
   47    48    49    52    44    50    51  
   60    50    47    52    53    58    59    63    64    67    74  
   46    52  
    0  
   48    49    52    53    58    74    60    54    55    56    57    50    51  
   49    52    53    54    50  
   52    53    54    50  
   51    52  
    0  
   53    58    59    63    68    74    75    76    60    61    62    65    54    55    56    57  
   58    59    63    64    67    68    69    74    75    76    77    60    61    62    65    66    54    55    56    57  
   55    56    57    58    60    74  
   56    57  
   57  
    0  
   59    63    64    67    68    74    75    76    70    60    61    62    65  
   63    64    67    74    60  
   61    62    65    66    63    68    74    75    76  
   62    65    66    74  
   65    66    74  
   64    67    68    69    74    70    71    72    73  
   67    68    70  
   66    74  
    0  
   68    69    74    75    76    70    71    72    73  
   69    74    75    76    77    70    71    72    73  
   74    75    76    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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  -0.335000   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   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.145000   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    44   320.000  1.410
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   268.000  1.529
   52    54   268.000  1.529
   53    58   268.000  1.529
   53    74   268.000  1.529
   53    60   268.000  1.529
   58    59   340.000  1.090
   58    63   317.000  1.510
   58    44   320.000  1.410
   63    64   340.000  1.080
   63    67   549.000  1.340
   67    68   320.000  1.462
   67    70   317.000  1.510
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   320.000  1.410
   76    77   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   320.000  1.410
   65    66   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   50    51   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   320.000  1.410
   45    46   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    44    50.00000  109.50000
   33    52    47    58.35000  112.70000
   33    52    53    58.35000  112.70000
   33    52    54    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    42    50    50.00000  109.50000
   37    44    58    60.00000  109.50000
   42    37    38    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    52    58.35000  112.70000
   42    50    51    55.00000  108.50000
   47    42    43    37.50000  110.70000
   47    52    53    58.35000  112.70000
   47    52    54    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    33    37    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    53    58    58.35000  112.70000
   52    53    74    58.35000  112.70000
   52    53    60    58.35000  112.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    63    70.00000  112.02700
   53    58    44    50.00000  109.50000
   53    74    68    63.00000  111.10000
   53    74    75    37.50000  110.70000
   53    74    76    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    65    50.00000  109.50000
   58    63    64    35.00000  117.00000
   58    63    67    70.00000  124.00000
   63    58    59    35.00000  109.50000
   63    67    68    65.00000  118.96000
   63    67    70    70.00000  124.00000
   67    63    64    35.00000  120.00000
   67    68    69    80.00000  123.72100
   67    68    74    65.00000  118.62400
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    90.00000  109.61100
   74    53    58    58.35000  112.70000
   74    68    69    80.00000  120.40000
   74    76    77    55.00000  108.50000
   76    74    75    35.00000  109.50000
   70    67    68    65.00000  116.34900
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    42    50.00000  109.50000
   44    58    59    35.00000  109.50000
   44    58    63    85.00000  110.90400
   60    53    58    58.35000  112.70000
   60    53    74    58.35000  112.70000
   60    65    66    55.00000  108.50000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   54    52    53    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   50    42    43    35.00000  109.50000
   50    42    47    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    45    46    55.00000  108.50000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.44750  1.0 1.0
   29    33    52    53  -0.17800 -1.0 2.0
   29    33    52    53   0.20200  1.0 3.0
   29    33    52    54   0.44750  1.0 1.0
   29    33    52    54  -0.17800 -1.0 2.0
   29    33    52    54   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37   -42    47   0.56750  1.0 1.0
   33    37   -42    47  -0.07550 -1.0 2.0
   33    37   -42    47   0.20000  1.0 3.0
   33    37    42    50   0.86500  1.0 1.0
   33    37    42    50  -0.17500 -1.0 2.0
   33    37    42    50   0.20800  1.0 3.0
   33    37    44    58   0.06250  1.0 1.0
   33    37    44    58  -0.01100 -1.0 2.0
   33    37    44    58   0.28050  1.0 3.0
   33    52   -53    58   0.56750  1.0 1.0
   33    52   -53    58  -0.07550 -1.0 2.0
   33    52   -53    58   0.20000  1.0 3.0
   33    52    53    74   0.56750  1.0 1.0
   33    52    53    74  -0.07550 -1.0 2.0
   33    52    53    74   0.20000  1.0 3.0
   33    52    53    60   0.56750  1.0 1.0
   33    52    53    60  -0.07550 -1.0 2.0
   33    52    53    60   0.20000  1.0 3.0
   33    52    54    55   0.15000  1.0 3.0
   33    52    54    56   0.15000  1.0 3.0
   33    52    54    57   0.15000  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   37    33   -52    47   0.56750  1.0 1.0
   37    33   -52    47  -0.07550 -1.0 2.0
   37    33   -52    47   0.20000  1.0 3.0
   37    33    52    53   0.56750  1.0 1.0
   37    33    52    53  -0.07550 -1.0 2.0
   37    33    52    53   0.20000  1.0 3.0
   37    33    52    54   0.56750  1.0 1.0
   37    33    52    54  -0.07550 -1.0 2.0
   37    33    52    54   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    45   0.86500  1.0 1.0
   37    33    39    45  -0.17500 -1.0 2.0
   37    33    39    45   0.20800  1.0 3.0
   37    42    47    48   0.15000  1.0 3.0
   37    42    47    49   0.15000  1.0 3.0
   37    42   -47    52   0.56750  1.0 1.0
   37    42   -47    52  -0.07550 -1.0 2.0
   37    42   -47    52   0.20000  1.0 3.0
   37    42    50    51  -0.11600  1.0 1.0
   37    42    50    51  -0.09450 -1.0 2.0
   37    42    50    51   0.21250  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   38    37    42    50   0.23400  1.0 3.0
   38    37    44    58   0.37050  1.0 3.0
   42    37    44    58   0.06250  1.0 1.0
   42    37    44    58  -0.01100 -1.0 2.0
   42    37    44    58   0.28050  1.0 3.0
   42    47   -52    33   0.56750  1.0 1.0
   42    47   -52    33  -0.07550 -1.0 2.0
   42    47   -52    33   0.20000  1.0 3.0
   42    47    52    53   0.56750  1.0 1.0
   42    47    52    53  -0.07550 -1.0 2.0
   42    47    52    53   0.20000  1.0 3.0
   42    47    52    54   0.56750  1.0 1.0
   42    47    52    54  -0.07550 -1.0 2.0
   42    47    52    54   0.20000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52   0.15000  1.0 3.0
   43    42    50    51   0.19450  1.0 3.0
   47    42    50    51  -0.11600  1.0 1.0
   47    42    50    51  -0.09450 -1.0 2.0
   47    42    50    51   0.21250  1.0 3.0
   47    52    53    58   0.56750  1.0 1.0
   47    52    53    58  -0.07550 -1.0 2.0
   47    52    53    58   0.20000  1.0 3.0
   47    52    53    74   0.56750  1.0 1.0
   47    52    53    74  -0.07550 -1.0 2.0
   47    52    53    74   0.20000  1.0 3.0
   47    52    53    60   0.56750  1.0 1.0
   47    52    53    60  -0.07550 -1.0 2.0
   47    52    53    60   0.20000  1.0 3.0
   47    52    54    55   0.15000  1.0 3.0
   47    52    54    56   0.15000  1.0 3.0
   47    52    54    57   0.15000  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    42   0.56750  1.0 1.0
   52    33   -37    42  -0.07550 -1.0 2.0
   52    33   -37    42   0.20000  1.0 3.0
   52    33    37    44   0.62750  1.0 1.0
   52    33    37    44  -0.30950 -1.0 2.0
   52    33    37    44   0.27300  1.0 3.0
   52    33    39    40   0.15000  1.0 3.0
   52    33    39    41   0.15000  1.0 3.0
   52    33    39    45   0.86500  1.0 1.0
   52    33    39    45  -0.17500 -1.0 2.0
   52    33    39    45   0.20800  1.0 3.0
   52    53    58    59   0.15000  1.0 3.0
   52    53    58    63   0.34400  1.0 1.0
   52    53    58    63   0.09450 -1.0 2.0
   52    53    58    63   0.11100  1.0 3.0
   52    53   -58    44   0.62750  1.0 1.0
   52    53   -58    44  -0.30950 -1.0 2.0
   52    53   -58    44   0.27300  1.0 3.0
   52    53    74    68  -0.95700  1.0 1.0
   52    53    74    68  -0.18200 -1.0 2.0
   52    53    74    68   0.29450  1.0 3.0
   52    53    74    75   0.15000  1.0 3.0
   52    53    74    76   0.86500  1.0 1.0
   52    53    74    76  -0.17500 -1.0 2.0
   52    53    74    76   0.20800  1.0 3.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.15000  1.0 3.0
   52    53    60    65   0.86500  1.0 1.0
   52    53    60    65  -0.17500 -1.0 2.0
   52    53    60    65   0.20800  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    57   0.15000  1.0 3.0
   53    58    63    64   0.00000  1.0 1.0
   53    58    63    67   0.09850  1.0 1.0
   53    58    63    67   0.15250 -1.0 2.0
   53    58    63    67  -0.50650  1.0 3.0
   53    58   -44    37   0.06250  1.0 1.0
   53    58   -44    37  -0.01100 -1.0 2.0
   53    58   -44    37   0.28050  1.0 3.0
   53    74    76    77  -0.11600  1.0 1.0
   53    74    76    77  -0.09450 -1.0 2.0
   53    74    76    77   0.21250  1.0 3.0
   53    60    65    66  -0.11600  1.0 1.0
   53    60    65    66  -0.09450 -1.0 2.0
   53    60    65    66   0.21250  1.0 3.0
   58    53    74    68  -0.95700  1.0 1.0
   58    53    74    68  -0.18200 -1.0 2.0
   58    53    74    68   0.29450  1.0 3.0
   58    53    74    75   0.15000  1.0 3.0
   58    53    74    76   0.86500  1.0 1.0
   58    53    74    76  -0.17500 -1.0 2.0
   58    53    74    76   0.20800  1.0 3.0
   58    53    60    61   0.15000  1.0 3.0
   58    53    60    62   0.15000  1.0 3.0
   58    53    60    65   0.86500  1.0 1.0
   58    53    60    65  -0.17500 -1.0 2.0
   58    53    60    65   0.20800  1.0 3.0
   58    63   -67    68   7.00000 -1.0 2.0
   58    63    67    70   7.00000 -1.0 2.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   59    58    44    37   0.37050  1.0 3.0
   63    58    44    37  -0.77900  1.0 1.0
   63    58    44    37  -0.36900 -1.0 2.0
   63    58    44    37   0.40400  1.0 3.0
   63    67    68    69   1.00000 -1.0 2.0
   63    67    68    74  -0.33500  1.0 1.0
   63    67    68    74   1.06600 -1.0 2.0
   63    67    68    74  -0.14000  1.0 3.0
   63    67    70    71   0.00000  1.0 1.0
   63    67    70    72   0.00000  1.0 1.0
   63    67    70    73   0.00000  1.0 1.0
   64    63    67    68   7.00000 -1.0 2.0
   64    63    67    70   7.00000 -1.0 2.0
   67    68   -74    53   0.65300  1.0 1.0
   67    68   -74    53  -0.03850 -1.0 2.0
   67    68   -74    53   0.33900  1.0 3.0
   67    68    74    75   0.00000  1.0 1.0
   67    68    74    76   0.65300  1.0 1.0
   67    68    74    76  -0.03850 -1.0 2.0
   67    68    74    76   0.33900  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    74    76    77   0.91850  1.0 1.0
   68    74    76    77   0.57950  1.0 3.0
   69    68    74    53   0.30150 -1.0 2.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.30150 -1.0 2.0
   74    53    58    59   0.15000  1.0 3.0
   74    53   -58    63   0.34400  1.0 1.0
   74    53   -58    63   0.09450 -1.0 2.0
   74    53   -58    63   0.11100  1.0 3.0
   74    53    58    44   0.62750  1.0 1.0
   74    53    58    44  -0.30950 -1.0 2.0
   74    53    58    44   0.27300  1.0 3.0
   74    53    60    61   0.15000  1.0 3.0
   74    53    60    62   0.15000  1.0 3.0
   74    53    60    65   0.86500  1.0 1.0
   74    53    60    65  -0.17500 -1.0 2.0
   74    53    60    65   0.20800  1.0 3.0
   75    74    76    77   0.19450  1.0 3.0
   70    67    68    69  -0.64400  1.0 1.0
   70    67    68    69   0.26850 -1.0 2.0
   70    67    68    74   0.25700  1.0 1.0
   70    67    68    74   0.66200 -1.0 2.0
   70    67    68    74   0.04450  1.0 3.0
   44    37    42    43   0.23400  1.0 3.0
   44    37    42    47   0.62750  1.0 1.0
   44    37    42    47  -0.30950 -1.0 2.0
   44    37    42    47   0.27300  1.0 3.0
   44    37    42    50   3.69350  1.0 1.0
   44    37    42    50  -1.82950 -1.0 2.0
   44    58    63    64   0.00000  1.0 1.0
   44    58    63    67   0.39000  1.0 1.0
   44    58    63    67  -0.05800 -1.0 2.0
   44    58    63    67  -0.55150  1.0 3.0
   60    53    58    59   0.15000  1.0 3.0
   60    53    58    63   0.34400  1.0 1.0
   60    53    58    63   0.09450 -1.0 2.0
   60    53    58    63   0.11100  1.0 3.0
   60    53    58    44   0.62750  1.0 1.0
   60    53    58    44  -0.30950 -1.0 2.0
   60    53    58    44   0.27300  1.0 3.0
   60    53    74    68  -0.95700  1.0 1.0
   60    53    74    68  -0.18200 -1.0 2.0
   60    53    74    68   0.29450  1.0 3.0
   60    53    74    75   0.15000  1.0 3.0
   60    53    74    76   0.86500  1.0 1.0
   60    53    74    76  -0.17500 -1.0 2.0
   60    53    74    76   0.20800  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66   0.19450  1.0 3.0
   54    52    53    58   0.56750  1.0 1.0
   54    52    53    58  -0.07550 -1.0 2.0
   54    52    53    58   0.20000  1.0 3.0
   54    52    53    74   0.56750  1.0 1.0
   54    52    53    74  -0.07550 -1.0 2.0
   54    52    53    74   0.20000  1.0 3.0
   54    52    53    60   0.56750  1.0 1.0
   54    52    53    60  -0.07550 -1.0 2.0
   54    52    53    60   0.20000  1.0 3.0
   50    42    47    48   0.23400  1.0 3.0
   50    42    47    49   0.23400  1.0 3.0
   50    42    47    52   0.86500  1.0 1.0
   50    42    47    52  -0.17500 -1.0 2.0
   50    42    47    52   0.20800  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    44   0.62750  1.0 1.0
   39    33    37    44  -0.30950 -1.0 2.0
   39    33    37    44   0.27300  1.0 3.0
   39    33    52    47   0.56750  1.0 1.0
   39    33    52    47  -0.07550 -1.0 2.0
   39    33    52    47   0.20000  1.0 3.0
   39    33    52    53   0.56750  1.0 1.0
   39    33    52    53  -0.07550 -1.0 2.0
   39    33    52    53   0.20000  1.0 3.0
   39    33    52    54   0.56750  1.0 1.0
   39    33    52    54  -0.07550 -1.0 2.0
   39    33    52    54   0.20000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   41    39    45    46   0.19450  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
   58    64    63    67   1.10000 -1.0 2.0
   68    70    67    63   1.10000 -1.0 2.0
   67    74    68    69  10.50000 -1.0 2.0
END
