* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    122    190     358
    1     0 S   NP   _N1_     1    28.62985    94.08009   -21.01880
    2     1 S   H    _HN1     2     1.02791    91.98442   -74.81107
    3     1 S   H    _H1_     3     1.02952    92.44316    33.54649
    4     1 S   H    _H2_     4     1.02844    27.06024   157.95072
    5     1 S   CT   _CA1     5     1.50098   137.83963   158.30603
    6     5 S   HC   _HA1     6     1.09594   105.21066    59.18640
    7     5 S   CO3  _C1_     7     1.53781   112.15084   -60.73904
    8     7 S   O2Z  _O11     8     1.26336   115.10461   -52.51929
    9     7 S   O2Z  _O12     9     1.26244   114.85997   126.49616
   10     5 S   CT   _CB1    10     1.53117   107.38579   176.67163
   11    10 S   HC   HB11    11     1.09815   109.19780   -53.21424
   12    10 S   HC   HB12    12     1.09814   110.55477    63.30050
   13    10 S   CT   _CG1    13     1.52958   112.56384  -174.42768
   14    13 S   HC   HG11    14     1.09510   110.13853   -63.97607
   15    13 S   HC   HG12    15     1.09642   110.14330    55.10566
   16    13 S   C    _CD1    16     1.51820   112.42705   175.33818
   17    16 S   O    _OE1    17     1.22722   123.23086    -9.37786
   18    16 S   N    _N2_    18     1.38601   111.65713   171.43627
   19    18 S   H    _HN2    19     1.01616   118.94672    -0.21306
   20    18 S   CT1  _CA2    20     1.46297   123.54679   179.57113
   21    20 S   HC   _HA2    21     1.09739   109.31043   -15.04208
   22    20 S   C    _C2_    22     1.53469   108.19542  -130.55166
   23    22 S   O    _O2_    23     1.23005   122.29849  -146.42186
   24    20 S   CT   _CB2    32     1.53380   111.39852   107.22667
   25    24 S   HC   HB21    33     1.09653   109.71300    52.49774
   26    24 S   HC   HB22    34     1.09521   110.82208   171.33830
   27    22 S   N    _N3_    24     1.38529   113.33799    41.03587
   28    27 S   H    _HN3    25     1.01526   118.90850    -0.63366
   29    24 S   S    _SG2    35     1.82344   111.80903   -68.77534
   30    27 S   CT   _CA3    26     1.45449   123.48387   175.06299
   31    30 S   HC   HA31    27     1.09520   109.26994    23.65954
   32    30 S   HC   HA32    28     1.09496   107.10975   140.68143
   33    29 S   CO4  _C12    36     1.76331    99.87763   164.74240
   34    33 S   O    _O33    37     1.22557   122.52746    25.11620
   35    30 S   CO3  _C3_    29     1.52927   113.11198   -99.83485
   36    35 S   O2Z  _O31    30     1.26406   115.41982   -43.74336
   37    35 S   O2Z  _O32    31     1.26356   114.97168   137.18990
   38    33 S   CT   _C11    38     1.51275   114.52771  -153.85805
   39    38 S   HC   _H14    39     1.09559   111.48609   -14.27400
   40    38 S   HC   _H15    40     1.09677   106.88704  -130.10146
   41    38 S   CT   _C10    41     1.52817   111.70641   110.07271
   42    41 S   HC   _H12    42     1.09674   108.41805   169.53979
   43    41 S   HC   _H13    43     1.09685   110.03428    52.79904
   44    41 S   CT   _C9_    44     1.53209   112.53522   -69.54149
   45    44 S   HC   _H10    45     1.09475   109.40838    62.47895
   46    44 S   HC   _H11    46     1.09682   109.54075   -54.85671
   47    44 S   CT   _C8_    47     1.53227   111.44125  -176.04275
   48    47 S   HC   _H8_    48     1.09756   109.75317   -58.09619
   49    47 S   HC   _H9_    49     1.09757   108.56951    57.87294
   50    47 S   CT   _C7_    50     1.52902   112.61280   178.21370
   51    50 S   HC   _H5_    51     1.09575   110.49360   -51.39346
   52    50 S   CT   _C6_    52     1.51308   112.99325  -177.00840
   53    52 S   HC   _H4_    53     1.10225   110.61724   -46.32125
   54    52 S   CT   _C5_    54     1.51802   104.87686  -166.56309
   55    54 S   HC   _H3_    55     1.10080   111.56614   -55.62603
   56    54 S   CT   _C4_    56     1.50447   105.05199    63.58089
   57    56 S   HC   _H6_    57     1.09416   112.86586    71.94690
   58    56 S   HC   _H7_    58     1.09288   112.80212  -163.56145
   59    54 S   N    _N5_    60     1.42913   101.67028  -167.21145
   60    59 S   H    _H17    61     1.01446   125.99555  -167.97185
   61    50 S   S    _S1_    59     1.86364   113.06556    70.70471
   62    59 S   C    _C13    62     1.42483   107.65363    31.76003
   63    62 S   O    _O34    63     1.22155   126.79294   167.02554
   64    52 S   N    _N4_    64     1.43056   123.04558    78.80830
   65    64 S   H    _H16    65     1.01441   126.07289   -50.96806
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   8   4   2   1   1   9   5   4   9   5   4   9   5   4  10   5
   4  13   6  13   8  11   8   7   3   2   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    46    47    48    49    50  
   43    44    45    46    47  
   44    45    46    47  
   45    46    47    48    49    50    51    52    61  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54    56    61    64  
   49    50    51    52    61  
   50    51    52    61  
   51    52    53    54    55    56    57    58    61    59    62    64    65  
   52    53    54    56    61    64  
   53    54    55    56    57    58    61    59    60    62    63    64    65  
   54    55    56    61    59    62    64    65  
   55    56    57    58    61    59    60    62    63    64    65  
   56    57    58    61    59    60    62    64  
   57    58    61    59    60    62    64  
   58    61    59  
   61    59  
   60    62    63    64    65    61  
   62    63    64  
   64  
   63    64    65  
   64    65  
   65  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   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  -0.120000   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   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.634400   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   62   3.7500   0.1050   0.885100   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   64   3.2500   0.1700  -0.634400   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.300000   1.5900   1.4000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   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   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    61   222.000  1.810
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    64   337.000  1.449
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    59   337.000  1.449
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   222.000  1.810
   59    60   434.000  1.010
   59    62   490.000  1.335
   62    63   570.000  1.229
   62    64   490.000  1.335
   64    65   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    63.00000  111.10000
   38    33    34    80.00000  120.40000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    61    75.00000  111.63000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    58.35000  112.70000
   50    52    64    70.00000  110.72300
   50    61    56    62.00000   98.90000
   52    50    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    58.35000  112.70000
   52    54    59    70.00000  110.72300
   52    64    62    50.00000  121.90000
   52    64    65    38.00000  118.40000
   54    52    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    61    75.00000  111.63000
   54    59    60    38.00000  118.40000
   54    59    62    50.00000  121.90000
   56    54    55    37.50000  110.70000
   58    56    57    33.00000  107.80000
   61    50    51    35.00000  109.50000
   61    50    52    75.00000  111.63000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   59    54    55    35.00000  109.50000
   59    54    56    70.00000  110.72300
   59    62    63    80.00000  122.90000
   59    62    64    90.00000  111.91700
   62    59    60    35.00000  119.80000
   62    64    65    35.00000  119.80000
   64    52    53    35.00000  109.50000
   64    52    54    70.00000  110.72300
   64    62    63    80.00000  122.90000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42  -0.11250  1.0 3.0
   33    38    41    43  -0.11250  1.0 3.0
   33    38    41    44  -0.95700  1.0 1.0
   33    38    41    44  -0.18200 -1.0 2.0
   33    38    41    44   0.29450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.56750  1.0 1.0
   38    41    44    47  -0.07550 -1.0 2.0
   38    41    44    47   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    49   0.15000  1.0 3.0
   41    44    47    50   0.56750  1.0 1.0
   41    44    47    50  -0.07550 -1.0 2.0
   41    44    47    50   0.20000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.56750  1.0 1.0
   44    47    50    52  -0.07550 -1.0 2.0
   44    47    50    52   0.20000  1.0 3.0
   44    47    50    61   0.44750  1.0 1.0
   44    47    50    61  -0.17800 -1.0 2.0
   44    47    50    61   0.20200  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    54   0.56750  1.0 1.0
   47    50    52    54  -0.07550 -1.0 2.0
   47    50    52    54   0.20000  1.0 3.0
   47    50    52    64   0.43900  1.0 1.0
   47    50    52    64   0.49100 -1.0 2.0
   47    50    52    64   0.28400  1.0 3.0
   47    50    61    56   0.01700  1.0 1.0
   47    50    61    56  -0.23550 -1.0 2.0
   47    50    61    56   0.21350  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    61   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    61   0.15000  1.0 3.0
   50    52    54    55   0.15000  1.0 3.0
   50    52   -54    56   0.56750  1.0 1.0
   50    52   -54    56  -0.07550 -1.0 2.0
   50    52   -54    56   0.20000  1.0 3.0
   50    52    54    59   0.43900  1.0 1.0
   50    52    54    59   0.49100 -1.0 2.0
   50    52    54    59   0.28400  1.0 3.0
   50    52    64    62  -0.43950  1.0 1.0
   50    52    64    62  -0.08100 -1.0 2.0
   50    52    64    62   0.03350  1.0 3.0
   50    52    64    65   0.00000  1.0 1.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    64   0.15000  1.0 3.0
   51    50    61    56   0.32350  1.0 3.0
   52    50   -61    56   0.01700  1.0 1.0
   52    50   -61    56  -0.23550 -1.0 2.0
   52    50   -61    56   0.21350  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54   -56    61   0.44750  1.0 1.0
   52    54   -56    61  -0.17800 -1.0 2.0
   52    54   -56    61   0.20200  1.0 3.0
   52    54    59    60   0.00000  1.0 1.0
   52    54   -59    62  -0.43950  1.0 1.0
   52    54   -59    62  -0.08100 -1.0 2.0
   52    54   -59    62   0.03350  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    59   0.15000  1.0 3.0
   53    52    64    62   0.00000  1.0 1.0
   53    52    64    65   0.00000  1.0 1.0
   54    52   -64    62  -0.43950  1.0 1.0
   54    52   -64    62  -0.08100 -1.0 2.0
   54    52   -64    62   0.03350  1.0 3.0
   54    52    64    65   0.00000  1.0 1.0
   54    56   -61    50   0.01700  1.0 1.0
   54    56   -61    50  -0.23550 -1.0 2.0
   54    56   -61    50   0.21350  1.0 3.0
   54    59    62    63   3.04450 -1.0 2.0
   54    59   -62    64   4.56800  1.0 1.0
   54    59   -62    64   0.31650 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    61   0.15000  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    62   0.00000  1.0 1.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    62  -0.43950  1.0 1.0
   56    54    59    62  -0.08100 -1.0 2.0
   56    54    59    62   0.03350  1.0 3.0
   57    56    61    50   0.32350  1.0 3.0
   58    56    61    50   0.32350  1.0 3.0
   61    50    52    53   0.15000  1.0 3.0
   61    50   -52    54   0.44750  1.0 1.0
   61    50   -52    54  -0.17800 -1.0 2.0
   61    50   -52    54   0.20200  1.0 3.0
   61    50    52    64   0.56750  1.0 1.0
   61    50    52    64  -0.07550 -1.0 2.0
   61    50    52    64   0.20000  1.0 3.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54    56    61   0.56750  1.0 1.0
   59    54    56    61  -0.07550 -1.0 2.0
   59    54    56    61   0.20000  1.0 3.0
   59    62   -64    52   4.56800  1.0 1.0
   59    62   -64    52   0.31650 -1.0 2.0
   59    62    64    65   2.56700 -1.0 2.0
   60    59    62    63   2.45000 -1.0 2.0
   60    59    62    64   2.56700 -1.0 2.0
   63    62    64    52   3.04450 -1.0 2.0
   63    62    64    65   2.45000 -1.0 2.0
   64    52    54    55   0.15000  1.0 3.0
   64    52    54    56   0.43900  1.0 1.0
   64    52    54    56   0.49100 -1.0 2.0
   64    52    54    56   0.28400  1.0 3.0
   64    52   -54    59   2.20050  1.0 1.0
   64    52   -54    59   0.63450 -1.0 2.0
   64    52   -54    59  -0.91300  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
   36    30    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
   60    62    59    54   1.00000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
   65    62    64    52   1.00000 -1.0 2.0
END
