* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    123    186     351
    1     0 S   NP   _N1_     1    28.74572    95.49713   -21.70787
    2     1 S   H    _HN1     2     1.02951    81.56191     5.76225
    3     1 S   H    _H1_     3     1.02838    35.81563   141.32875
    4     1 S   H    _H2_     4     1.02799    93.22046  -102.24776
    5     1 S   CT   _CA1     5     1.50051   145.19009   119.84742
    6     5 S   HC   _HA1     6     1.09558   105.31622    72.63957
    7     5 S   CO3  _C1_     7     1.53782   112.40105   -47.93044
    8     7 S   O2Z  _O11     8     1.26381   115.14555   -45.51808
    9     7 S   O2Z  _O12     9     1.26222   115.09285   134.20367
   10     5 S   CT   _CB1    10     1.53121   107.47751  -169.14705
   11    10 S   HC   HB11    11     1.09826   109.70376   -48.26199
   12    10 S   HC   HB12    12     1.09817   110.29773    68.39788
   13    10 S   CT   _CG1    13     1.52992   112.51838  -169.15875
   14    13 S   HC   HG11    14     1.09488   110.60434   -60.08354
   15    13 S   HC   HG12    15     1.09646   109.85683    59.10668
   16    13 S   C    _CD1    16     1.51745   112.23394   179.90935
   17    16 S   O    _OE1    17     1.22726   123.23905     5.19124
   18    16 S   N    _N2_    18     1.38612   111.70877  -175.45395
   19    18 S   H    _HN2    19     1.01604   119.06080     3.00211
   20    18 S   CT1  _CA2    20     1.46293   123.32266  -179.76344
   21    20 S   HC   _HA2    21     1.09731   109.35913     0.99505
   22    20 S   C    _C2_    22     1.53452   108.96348  -114.71102
   23    22 S   O    _O2_    23     1.23058   122.20307  -149.90801
   24    20 S   CT   _CB2    32     1.53385   111.19078   122.80937
   25    24 S   HC   HB21    33     1.09254   109.35113    59.55217
   26    24 S   HC   HB22    34     1.09530   110.51775   177.40007
   27    22 S   N    _N3_    24     1.38301   113.72515    37.59933
   28    27 S   H    _HN3    25     1.01594   119.55365    -3.48127
   29    24 S   S    _SG2    35     1.83046   110.90827   -63.81643
   30    27 S   CT   _CA3    26     1.45283   123.20780   177.08295
   31    30 S   HC   HA31    27     1.09549   107.52096   -64.43514
   32    30 S   HC   HA32    28     1.09558   107.97418    52.00298
   33    29 S   CT   _C7_    36     1.88464   102.50772   142.51021
   34    30 S   CO3  _C3_    29     1.52954   114.07591   174.00289
   35    34 S   O2Z  _O31    30     1.26376   116.05922    -0.26170
   36    34 S   O2Z  _O32    31     1.26429   114.41589   179.79537
   37    33 S   CT   _C8_    37     1.56340   106.06482   173.11388
   38    37 S   HC   _H11    38     1.09710   108.42809  -158.83563
   39    37 S   HC   _H12    39     1.09703   111.04745   -43.86146
   40    33 S   CT   _C6_    57     1.55468   107.88305    56.94644
   41    40 S   HC   _H9_    58     1.09587   111.49153   -65.37966
   42    40 S   HC   _H10    59     1.09633   110.22441   174.96658
   43    37 S   S    _S1_    40     1.83814   120.22340    82.00718
   44    40 S   OS   _O34    60     1.44133   110.65811    57.09368
   45    43 S   C4T  _C9_    41     1.80613    99.59933    -9.87371
   46    45 S   HC   _H3_    42     1.09552   114.01749   -82.64110
   47    44 S   CO4  _C5_    61     1.36208   115.87790  -173.89212
   48    47 S   O    _O33    62     1.22311   126.31993    -0.61389
   49    45 S   C4T  _C10    43     1.54938   117.30796   143.25109
   50    49 S   HC   _H4_    44     1.09053   115.36709   123.85622
   51    45 S   N4   _N4_    47     1.45137   111.14199    45.90123
   52    47 S   CT   _C4_    63     1.49826   109.52864   179.40160
   53    52 S   HC   _H6_    64     1.09293   109.81755   -60.87895
   54    52 S   HC   _H7_    65     1.09378   109.36542  -179.91844
   55    52 S   HC   _H8_    66     1.09290   109.83267    61.02078
   56    49 S   C4   _C11    45     1.55558    85.08911  -120.66715
   57    56 S   O    _O35    46     1.20832   136.79663  -177.37065
   58    33 S   CT1  _C12    48     1.55646   110.33644   -65.74065
   59    58 S   HC   _H5_    49     1.09546   111.91654    53.27403
   60    49 S   NP   _N5_    53     1.47434   116.96702   -12.69154
   61    60 S   H    _H13    54     1.03204   111.61491   -44.13938
   62    60 S   H    _H14    55     1.02880   111.76248  -164.08889
   63    60 S   H    _H15    56     1.02816   111.70809    75.48311
   64    58 S   CO3  _C13    50     1.55336   111.25388   171.08557
   65    64 S   O2Z  _O37    51     1.26381   116.14916    85.43370
   66    64 S   O2Z  _O36    52     1.26456   114.47266   -95.05239
  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
  17   2   1   1  14   5   4  11   4   3   8   7  13   6   5   4
   9   7   8   3   2   1   1   8   2   4   3   3   2   1   1   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    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    58    59    64    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    56    51    58    59    64    65    66    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    58    59    64    40    41    42    44  
   39    43    45    58    40  
   43    45    58    40  
   41    42    44    47    48    52    43    51    58    59    64  
   42    44    47    58  
   44    47    58  
   45    46    49    50    56    51    58    60  
   47    48    52    53    54    55    58  
   46    49    50    56    57    51    58    59    64    60    61    62    63  
   49    50    56    51    58    60  
   48    52    53    54    55  
   52    53    54    55  
   50    56    57    51    58    60    61    62    63  
   56    57    51    60    61    62    63  
   58    59    64    65    66    60    56    57  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    64    60    61    62    63  
   58    60  
   59    64    65    66  
   64    65    66  
   61    62    63  
   62    63  
   63  
    0  
   65    66  
   66  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   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   222.000  1.810
   33    37   268.000  1.529
   33    58   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    56   250.000  1.540
   49    60   367.000  1.471
   56    57   930.000  1.212
   56    51   440.000  1.369
   51    58   337.000  1.449
   58    59   340.000  1.090
   58    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
   60    61   434.000  1.010
   60    62   434.000  1.010
   60    63   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
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    58    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    58    51    80.00000  109.70000
   33    58    59    37.50000  110.70000
   33    58    64    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    56   100.00000   86.36000
   45    49    60    80.00000  111.20000
   45    51    56   100.00000   93.00000
   45    51    58    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    56    57    60.00000  136.58000
   49    56    51    95.00000   92.72400
   49    60    61    35.00000  109.50000
   49    60    62    35.00000  109.50000
   49    60    63    35.00000  109.50000
   56    49    50    40.00000  113.37500
   56    51    58    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    56    57    75.00000  131.60000
   51    58    59    35.00000  109.50000
   51    58    64    63.00000  110.10000
   58    33    37    58.35000  112.70000
   58    64    65    70.00000  117.00000
   58    64    66    70.00000  117.00000
   64    58    59    35.00000  109.50000
   66    64    65    80.00000  126.00000
   60    49    50    35.00000  109.50000
   60    49    56    80.00000  109.26000
   62    60    61    35.00000  109.50000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    52    81.00000  111.40000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   52    47    48    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    58    51   0.71400  1.0 1.0
   29    33    58    51   0.04300 -1.0 2.0
   29    33    58    51   0.01450  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    64  -2.17200  1.0 1.0
   29    33    58    64  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    58    64    65   0.00000  1.0 1.0
   33    58    64    66   0.00000  1.0 1.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    58    51   0.42250  1.0 1.0
   37    33    58    51  -0.48100 -1.0 2.0
   37    33    58    51   0.35650  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    64  -0.84850  1.0 1.0
   37    33    58    64  -0.22800 -1.0 2.0
   37    33    58    64   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    56   0.00000  1.0 1.0
   43    45    49    60   0.00000  1.0 1.0
   43    45   -51    56   0.00000  1.0 1.0
   43    45    51    58   0.00000  1.0 1.0
   45    49    56    57  -0.11250  1.0 1.0
   45    49    56    57   0.11400 -1.0 2.0
   45    49    56    57  -0.28950  1.0 3.0
   45    49   -56    51   3.00000 -1.0 2.0
   45    49    60    61   0.17350  1.0 3.0
   45    49    60    62   0.17350  1.0 3.0
   45    49    60    63   0.17350  1.0 3.0
   45    51   -58    33   0.00000  1.0 1.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    64   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    56   0.15000  1.0 3.0
   46    45    49    60   0.19200  1.0 3.0
   46    45   -51    56   0.00000  1.0 1.0
   46    45    51    58   0.00000  1.0 1.0
   49    45   -51    56   0.00000  1.0 1.0
   49    45    51    58   0.00000  1.0 1.0
   49    56   -51    45   3.00000 -1.0 2.0
   49    56   -51    58   3.00000 -1.0 2.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    51   0.00000  1.0 1.0
   50    49    60    61   0.13050  1.0 3.0
   50    49    60    62   0.13050  1.0 3.0
   50    49    60    63   0.13050  1.0 3.0
   56    49    60    61   0.17350  1.0 3.0
   56    49    60    62   0.17350  1.0 3.0
   56    49    60    63   0.17350  1.0 3.0
   56    51    58    33   0.00000  1.0 1.0
   56    51    58    59   0.00000  1.0 1.0
   56    51    58    64   0.00000  1.0 1.0
   57    56   -51    45   3.00000 -1.0 2.0
   57    56    51    58   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    56   3.00000 -1.0 2.0
   51    45    49    60   3.05550  1.0 1.0
   51    45    49    60   2.44300 -1.0 2.0
   51    45    49    60   0.51100  1.0 3.0
   51    58    64    65   0.00000  1.0 1.0
   51    58    64    66   0.00000  1.0 1.0
   58    33    37    38   0.15000  1.0 3.0
   58    33    37    39   0.15000  1.0 3.0
   58    33   -37    43   0.44750  1.0 1.0
   58    33   -37    43  -0.17800 -1.0 2.0
   58    33   -37    43   0.20200  1.0 3.0
   58    33    40    41   0.15000  1.0 3.0
   58    33    40    42   0.15000  1.0 3.0
   58    33    40    44   0.62750  1.0 1.0
   58    33    40    44  -0.30950 -1.0 2.0
   58    33    40    44   0.27300  1.0 3.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    66   0.00000  1.0 1.0
   60    49    56    57   0.30150 -1.0 2.0
   60    49   -56    51   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    58    51   0.42250  1.0 1.0
   40    33    58    51  -0.48100 -1.0 2.0
   40    33    58    51   0.35650  1.0 3.0
   40    33    58    59   0.15000  1.0 3.0
   40    33    58    64  -0.84850  1.0 1.0
   40    33    58    64  -0.22800 -1.0 2.0
   40    33    58    64   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    52   1.63150  1.0 1.0
   40    44    47    52   2.92000 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    52    53   0.00000  1.0 1.0
   44    47    52    54   0.00000  1.0 1.0
   44    47    52    55   0.00000  1.0 1.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   48    47    52    55   0.00000  1.0 1.0
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
   49    51    56    57  10.50000 -1.0 2.0
   58    56    51    45   1.00000 -1.0 2.0
   65    58    64    66  10.50000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
END
