* LIGAND DATABASE FILE (OPLS2005)
*
001      77    76    135    196     395
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085   101.83720    15.34029
    3     1 S   H    _H1_     3     1.02121    39.67524   120.36972
    4     1 S   H    _H2_     4     1.02152    74.53659   -91.05762
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06391   107.74871    46.65288
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C4_    36     1.85693   100.38315   159.98153
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C5_    37     1.53844   112.31743   160.03679
   38    37 S   Cl   Cl1_    38     1.78077   114.92835    61.61750
   39    37 S   HC   _H3_    39     1.09537   111.02670   -60.49828
   40    37 S   HC   _H4_    40     1.09542   111.00697  -176.26960
   41    33 S   OH   _O33    41     1.42938   109.66772    40.98476
   42    41 S   HO   _H5_    42     0.97209   106.27549    62.12974
   43    33 S   S    _S1_    43     1.85932   106.03981   -77.12053
   44    43 S   CT   _C6_    44     1.81121   100.75388   177.00906
   45    44 S   HC   _H6_    45     1.09518   107.33245    57.35129
   46    44 S   HC   _H7_    46     1.09581   107.41020   -58.05407
   47    44 S   CT1  _C7_    47     1.52999   113.77139  -179.98022
   48    47 S   HC   _H8_    48     1.09646   108.68241   179.53860
   49    47 S   C    _C8_    49     1.52756   113.35142   -60.89461
   50    49 S   O    _O34    50     1.22943   123.01595   119.83087
   51    47 S   N    _N5_    59     1.44139   112.37625    63.07680
   52    51 S   H    _H12    60     1.01778   117.71888   -91.55792
   53    49 S   N    _N4_    51     1.38790   112.21721   -59.05805
   54    53 S   H    _H9_    52     1.01536   119.48655    -3.97951
   55    51 S   C    _C11    61     1.38997   123.40652    88.28246
   56    55 S   O    _O37    62     1.22713   125.16447     0.08156
   57    53 S   CT   _C9_    53     1.44444   122.65563   178.90318
   58    57 S   HC   _H10    54     1.09462   110.31308   -59.81015
   59    57 S   HC   _H11    55     1.09491   110.36914    59.83163
   60    55 S   CT   _C12    63     1.52016   111.62262   179.71469
   61    60 S   HC   _H13    64     1.09533   107.98572   -61.98675
   62    60 S   HC   _H14    65     1.09535   107.54181  -178.26923
   63    57 S   CO3  _C10    56     1.51927   105.93270   179.98022
   64    63 S   O2Z  _O36    57     1.26310   115.15098    59.83795
   65    63 S   O2Z  _O35    58     1.26348   115.15053  -120.88644
   66    60 S   CT   _C13    66     1.53181   112.28445    60.00929
   67    66 S   HC   _H15    67     1.09785   108.88241   -60.00411
   68    66 S   HC   _H16    68     1.09795   109.24267  -174.80250
   69    66 S   CT   _C14    69     1.53473   114.40559    62.43845
   70    69 S   HC   _H17    70     1.09705   107.84916   -64.30915
   71    69 S   CO3  _C15    71     1.53904   115.35768   177.68522
   72    71 S   O2Z  _O39    72     1.26364   115.11471    27.80826
   73    71 S   O2Z  _O38    73     1.26247   115.85564  -150.82718
   74    69 S   NP   _N6_    74     1.49728   108.73716    48.45845
   75    74 S   H    _H18    75     1.02083   110.27701    41.91546
   76    74 S   H    _H19    76     1.02126   110.19826   -78.07613
   77    74 S   H    _H20    77     1.02117   110.24598   161.97020
  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   9   5   4   3
  11   2   1   1   7   4   3   2   3   1   7  10   5   4  11   6
  10   4   8   3   7   4   8   4   5   4   3   9   5   4   2   1
   1  11   5   4   8   7   6   2   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    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    48    49    51  
   45    46    47    48    49    50    53    51    52    55  
   46    47    48    49    51  
   47    48    49    51  
   48    49    50    53    54    57    51    52    55    56    60  
   49    50    53    51    52    55  
   50    53    54    57    58    59    63    51    52    55  
   53    54    57    51  
   52    55    56    60    61    62    66    53  
   55    56    60  
   54    57    58    59    63    64    65  
   57    58    59    63  
   56    60    61    62    66    67    68    69  
   60    61    62    66  
   58    59    63    64    65  
   59    63    64    65  
   63    64    65  
   61    62    66    67    68    69    70    71    74  
   62    66    67    68    69  
   66    67    68    69  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    74    75    76    77  
   68    69    70    71    74  
   69    70    71    74  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74  
   74  
   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   0.600000   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  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   39   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   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   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   72   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   73   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   74   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   75   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.210000   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    41   320.000  1.410
   33    43   222.000  1.810
   37    38   245.000  1.781
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   317.000  1.522
   47    51   337.000  1.449
   49    50   570.000  1.229
   49    53   490.000  1.335
   53    54   434.000  1.010
   53    57   337.000  1.449
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
   51    52   434.000  1.010
   51    55   490.000  1.335
   55    56   570.000  1.229
   55    60   317.000  1.522
   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   268.000  1.529
   69    70   340.000  1.090
   69    71   317.000  1.522
   69    74   367.000  1.471
   71    72   656.000  1.250
   71    73   656.000  1.250
   74    75   434.000  1.010
   74    76   434.000  1.010
   74    77   434.000  1.010
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    41    85.00000  114.68000
   29    33    43    75.00000  118.28000
   33    37    38    69.00000  109.80000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    55.00000  108.50000
   33    43    44    62.00000   98.90000
   39    37    38    51.00000  107.60000
   40    37    38    51.00000  107.60000
   40    37    39    33.00000  107.80000
   41    33    37    50.00000  109.50000
   43    33    37    75.00000  111.63000
   43    33    41    85.00000  114.68000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    75.00000  108.68000
   44    47    48    37.50000  110.70000
   44    47    49    63.00000  111.10000
   44    47    51    80.00000  109.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    80.00000  120.40000
   47    49    53    70.00000  116.60000
   47    51    52    38.00000  118.40000
   47    51    55    50.00000  121.90000
   49    47    48    35.00000  109.50000
   49    53    54    35.00000  119.80000
   49    53    57    50.00000  121.90000
   53    49    50    80.00000  122.90000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    63    63.00000  110.10000
   57    53    54    38.00000  118.40000
   57    63    64    70.00000  117.00000
   57    63    65    70.00000  117.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   65    63    64    80.00000  126.00000
   51    47    48    35.00000  109.50000
   51    47    49    63.00000  110.10000
   51    55    56    80.00000  122.90000
   51    55    60    70.00000  116.60000
   55    51    52    35.00000  119.80000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    66    63.00000  111.10000
   60    55    56    80.00000  120.40000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    70.00000  109.69300
   66    69    74    80.00000  111.20000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    70.00000  117.00000
   69    71    73    70.00000  117.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   71    69    70    35.00000  109.50000
   73    71    72    80.00000  126.00000
   74    69    70    35.00000  109.50000
   74    69    71    80.00000  109.26000
   76    74    75    35.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.08500  1.0 1.0
   24    29    33    43  -0.53150 -1.0 2.0
   24    29    33    43   0.48050  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   0.56750  1.0 1.0
   29    33    37    38  -0.07550 -1.0 2.0
   29    33    37    38   0.20000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.08500  1.0 1.0
   29    33    43    44  -0.53150 -1.0 2.0
   29    33    43    44   0.48050  1.0 3.0
   33    43    44    45   0.32350  1.0 3.0
   33    43    44    46   0.32350  1.0 3.0
   33    43    44    47   0.01700  1.0 1.0
   33    43    44    47  -0.23550 -1.0 2.0
   33    43    44    47   0.21350  1.0 3.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44   0.01700  1.0 1.0
   37    33    43    44  -0.23550 -1.0 2.0
   37    33    43    44   0.21350  1.0 3.0
   41    33    37    38   0.56750  1.0 1.0
   41    33    37    38  -0.07550 -1.0 2.0
   41    33    37    38   0.20000  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44   0.13850  1.0 1.0
   41    33    43    44  -1.34450 -1.0 2.0
   41    33    43    44   0.57400  1.0 3.0
   43    33    37    38   0.56750  1.0 1.0
   43    33    37    38  -0.07550 -1.0 2.0
   43    33    37    38   0.20000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    40   0.15000  1.0 3.0
   43    33    41    42   0.35600  1.0 1.0
   43    33    41    42  -0.10750 -1.0 2.0
   43    33    41    42  -0.54400  1.0 3.0
   43    44    47    48   0.15000  1.0 3.0
   43    44    47    49  -2.17200  1.0 1.0
   43    44    47    49  -0.85700 -1.0 2.0
   43    44    47    51   0.71400  1.0 1.0
   43    44    47    51   0.04300 -1.0 2.0
   43    44    47    51   0.01450  1.0 3.0
   44    47    49    50   0.00000  1.0 1.0
   44    47    49    53   0.93250  1.0 1.0
   44    47    49    53   0.04450 -1.0 2.0
   44    47    49    53   0.17550  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.25950  1.0 1.0
   44    47    51    55   0.43850 -1.0 2.0
   44    47    51    55   2.61650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49  -0.03800  1.0 3.0
   45    44    47    51   0.23200  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49  -0.03800  1.0 3.0
   46    44    47    51   0.23200  1.0 3.0
   47    49    53    54   2.45000 -1.0 2.0
   47    49    53    57   1.15000  1.0 1.0
   47    49    53    57   3.04450 -1.0 2.0
   47    51    55    56   3.04450 -1.0 2.0
   47    51    55    60   1.15000  1.0 1.0
   47    51    55    60   3.04450 -1.0 2.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    53   0.00000  1.0 1.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.00000  1.0 1.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    55  -0.29800  1.0 1.0
   49    47    51    55   0.13950 -1.0 2.0
   49    47    51    55  -2.45650  1.0 3.0
   49    53    57    58   0.00000  1.0 1.0
   49    53    57    59   0.00000  1.0 1.0
   49    53    57    63  -0.29800  1.0 1.0
   49    53    57    63   0.13950 -1.0 2.0
   49    53    57    63  -2.45650  1.0 3.0
   50    49    53    54   2.45000 -1.0 2.0
   50    49    53    57   3.04450 -1.0 2.0
   53    57    63    64   0.00000  1.0 1.0
   53    57    63    65   0.00000  1.0 1.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   54    53    57    63   0.00000  1.0 1.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    65   0.00000  1.0 1.0
   59    57    63    64   0.00000  1.0 1.0
   59    57    63    65   0.00000  1.0 1.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    53   0.37150  1.0 1.0
   51    47    49    53   1.25400 -1.0 2.0
   51    47    49    53  -0.40250  1.0 3.0
   51    55    60    61   0.00000  1.0 1.0
   51    55    60    62   0.00000  1.0 1.0
   51    55    60    66   1.39750  1.0 1.0
   51    55    60    66  -0.07950 -1.0 2.0
   51    55    60    66  -0.18750  1.0 3.0
   52    51    55    56   2.45000 -1.0 2.0
   52    51    55    60   2.45000 -1.0 2.0
   55    60    66    67  -0.11250  1.0 3.0
   55    60    66    68  -0.11250  1.0 3.0
   55    60    66    69  -0.95700  1.0 1.0
   55    60    66    69  -0.18200 -1.0 2.0
   55    60    66    69   0.29450  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    66   0.30150 -1.0 2.0
   60    66    69    70   0.15000  1.0 3.0
   60    66    69    71  -1.63150  1.0 1.0
   60    66    69    71  -0.43550 -1.0 2.0
   60    66    69    71   0.24500  1.0 3.0
   60    66    69    74   1.36600  1.0 1.0
   60    66    69    74  -0.11450 -1.0 2.0
   60    66    69    74   0.24250  1.0 3.0
   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
   66    69    71    72   0.41150 -1.0 2.0
   66    69    71    73   0.41150 -1.0 2.0
   66    69    74    75   0.17350  1.0 3.0
   66    69    74    76   0.17350  1.0 3.0
   66    69    74    77   0.17350  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71  -0.11250  1.0 3.0
   67    66    69    74   0.19200  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71  -0.11250  1.0 3.0
   68    66    69    74   0.19200  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    74    75   0.13050  1.0 3.0
   70    69    74    76   0.13050  1.0 3.0
   70    69    74    77   0.13050  1.0 3.0
   71    69    74    75   0.17350  1.0 3.0
   71    69    74    76   0.17350  1.0 3.0
   71    69    74    77   0.17350  1.0 3.0
   74    69    71    72   0.30150 -1.0 2.0
   74    69    71    73   0.30150 -1.0 2.0
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
   47    53    49    50  10.50000 -1.0 2.0
   54    49    53    57   1.00000 -1.0 2.0
   64    57    63    65  10.50000 -1.0 2.0
   52    55    51    47   1.00000 -1.0 2.0
   51    60    55    56  10.50000 -1.0 2.0
   72    69    71    73  10.50000 -1.0 2.0
END
