* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    118    194     351
    1     0 S   NP   _N1_     1    28.82089    99.70792   -21.07698
    2     1 S   H    _HN1     2     1.02844    53.80406   144.47787
    3     1 S   H    _H1_     3     1.02789   100.53271  -111.07544
    4     1 S   H    _H2_     4     1.02958    58.80485    -6.04497
    5     1 S   CT   _CA1     5     1.50158   147.21350    73.34423
    6     5 S   HC   _HA1     6     1.09585   105.19493   114.35349
    7     5 S   CO3  _C1_     7     1.53772   111.94068    -5.57837
    8     7 S   O2Z  _O11     8     1.26310   115.11821   -53.65235
    9     7 S   O2Z  _O12     9     1.26306   115.00607   125.15231
   10     5 S   CT   _CB1    10     1.53134   107.30542  -128.07239
   11    10 S   HC   HB11    11     1.09836   109.33187   -51.01134
   12    10 S   HC   HB12    12     1.09805   110.51129    65.51194
   13    10 S   CT   _CG1    13     1.53017   112.64815  -171.98901
   14    13 S   HC   HG11    14     1.09528   110.41344   -65.74329
   15    13 S   HC   HG12    15     1.09648   109.86777    53.48736
   16    13 S   C    _CD1    16     1.51893   112.15048   174.25840
   17    16 S   O    _OE1    17     1.22771   123.16920     9.58790
   18    16 S   N    _N2_    18     1.38558   111.93893  -171.07483
   19    18 S   H    _HN2    19     1.01539   119.02855     5.15792
   20    18 S   CT1  _CA2    20     1.45982   122.81895   178.06690
   21    20 S   HC   _HA2    21     1.09725   108.90275    25.43381
   22    20 S   C    _C2_    22     1.52917   107.02348   -91.66638
   23    22 S   O    _O2_    23     1.22974   123.04284   -26.41537
   24    20 S   CT   _CB2    32     1.53195   112.09030   148.61508
   25    24 S   HC   HB21    33     1.09328   109.68376    55.62010
   26    24 S   HC   HB22    34     1.09517   110.70599   174.20201
   27    22 S   N    _N3_    24     1.38484   112.54196   156.28148
   28    27 S   H    _HN3    25     1.01652   120.37407    -2.10208
   29    24 S   S    _SG2    35     1.82491   110.88587   -66.03911
   30    27 S   CT   _CA3    26     1.45360   122.49537   178.63198
   31    30 S   HC   HA31    27     1.09565   107.81596   -56.05041
   32    30 S   HC   HA32    28     1.09563   107.60889    60.29027
   33    29 S   CT   _C12    36     1.86646   100.25725   163.56065
   34    33 S   HC   _H4_    37     1.09829   105.32022    18.71627
   35    30 S   CO3  _C3_    29     1.52895   114.30192  -177.91081
   36    35 S   O2Z  _O31    30     1.26341   116.04714     1.39325
   37    35 S   O2Z  _O32    31     1.26439   114.42098  -178.64752
   38    33 S   CT   _C11    38     1.54817   111.00046   -98.59312
   39    38 S   HC   _H3_    39     1.09613   111.39727  -173.52879
   40    33 S   CT   _C13    54     1.56933   110.85218   134.09969
   41    38 S   CO4  _C10    40     1.51256   113.79118    66.21453
   42    41 S   O    _O33    41     1.21536   127.81369    58.69960
   43    38 S   OS   _O34    51     1.45159   112.30862   -53.71174
   44    40 S   CM   _C14    55     1.51238   114.12436    62.50981
   45    44 S   HC   _H8_    56     1.08729   117.76107   -59.60704
   46    40 S   OH   _O36    65     1.43634   107.79287   -57.14882
   47    46 S   HO   _H12    66     0.97292   108.15839   175.20605
   48    41 S   CA   _C8_    42     1.43714   106.99673  -121.55997
   49    44 S   CM   _C15    57     1.33851   124.52239   120.46711
   50    49 S   HC   _H9_    58     1.08372   121.58151  -179.37068
   51    48 S   CA   _C9_    43     1.37985   130.81172   177.31919
   52    51 S   HA   _H7_    44     1.08366   121.89633     1.39620
   53    49 S   CO4  _C16    59     1.47880   120.67096     1.09110
   54    53 S   O    _O35    60     1.22585   121.17372  -177.89401
   55    51 S   CA   _C4_    45     1.39455   116.90920  -177.92680
   56    55 S   HA   _H5_    46     1.08670   119.43433   179.56434
   57    53 S   CM   _C17    61     1.47882   117.67999     2.87242
   58    57 S   HC   _H10    62     1.08366   117.80783   176.81808
   59    55 S   CA   _C5_    47     1.40681   120.10403    -0.05935
   60    40 S   CM   _C18    63     1.51482   109.54613  -171.33778
   61    60 S   HC   _H11    64     1.08812   117.14925    56.62557
   62    59 S   CA   _C6_    48     1.39669   121.67122    -0.62150
   63    62 S   HA   _H6_    49     1.08425   121.22584   179.70993
   64    59 S   OH   _O37    52     1.36788   120.48920   178.69719
   65    64 S   HO   _H13    53     0.97625   108.44530   -14.45507
   66    48 S   CA   _C7_    50     1.38057   105.81342    -1.22381
  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  10   5   4   3
  17   8   2   1   1  12   6  13   8   4   6  10   5   5   1   8
   6   3   7   4   5   3   7   3   3   2   5   1   1   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    40    44    60    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    48    66    43    40    44    45    49    57    60    61    46    47  
   38    39    41    43    40    44    60    46  
   36    37  
   37  
    0  
   39    41    42    48    51    62    66    43    40    44    60    46  
   41    42    48    66    43    40  
   44    45    49    50    53    57    58    60    61    46    47    41    43  
   42    48    51    52    55    62    66    43  
   48    51    66    43  
   48    51    59    62    63    66  
   45    49    50    53    54    57    60    61    46    47  
   49    50    53    60    46  
   47    49    57    60    61  
   60  
   51    52    55    56    59    62    63    66  
   50    53    54    57    58    60  
   53    54    57  
   52    55    56    59    62    66    64  
   55    56    59    66  
   54    57    58    60    61  
   57    58    60  
   56    59    62    63    66    64    65  
   59    62    64  
   58    60    61  
   60    61  
   62    63    66    64    65  
   61  
    0  
   63    66    64    65  
   66    64  
   65    66  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    43   320.000  1.410
   41    42   570.000  1.229
   41    48   310.000  1.470
   48    51   469.000  1.400
   48    66   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    62   469.000  1.400
   59    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    43   450.000  1.364
   64    65   553.000  0.945
   40    44   317.000  1.510
   40    60   317.000  1.510
   40    46   320.000  1.410
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    53   320.000  1.462
   53    54   570.000  1.229
   53    57   320.000  1.462
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    40    44    70.00000  112.02700
   33    40    60    70.00000  112.02700
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    48    65.00000  115.47100
   38    43    66    75.00000  111.00000
   41    38    39    35.00000  109.50000
   41    48    51    60.00000  119.52600
   41    48    66    60.00000  119.52600
   48    41    42    75.00000  123.78400
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   48    66    62    63.00000  120.00000
   48    66    43    70.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    62    63.00000  120.00000
   55    59    64    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    66    63.00000  120.00000
   59    64    65    35.00000  113.00000
   62    66    43    70.00000  120.00000
   66    48    51    63.00000  120.00000
   66    62    63    35.00000  120.00000
   43    38    39    35.00000  109.50000
   43    38    41    90.00000  108.74100
   64    59    62    70.00000  120.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    35.00000  117.00000
   40    44    49    70.00000  124.00000
   40    60    57    70.00000  124.00000
   40    60    61    35.00000  117.00000
   40    46    47    55.00000  108.50000
   44    49    50    35.00000  120.00000
   44    49    53    65.00000  118.96000
   49    44    45    35.00000  120.00000
   49    53    54    80.00000  123.72100
   49    53    57    65.00000  118.65900
   53    49    50    40.00000  117.72500
   53    57    58    40.00000  117.72500
   53    57    60    65.00000  118.96000
   57    53    54    80.00000  123.72100
   57    60    61    35.00000  120.00000
   60    40    44    70.00000  110.12100
   60    57    58    35.00000  120.00000
   46    40    44    90.00000  110.39200
   46    40    60    90.00000  110.39200
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    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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  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
   29    33    40    60   0.56750  1.0 1.0
   29    33    40    60  -0.07550 -1.0 2.0
   29    33    40    60   0.20000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    48   0.05850 -1.0 2.0
   33    38    41    48   0.17250  1.0 3.0
   33    38    43    66  -0.32850  1.0 1.0
   33    38    43    66  -0.35800 -1.0 2.0
   33    38    43    66   0.33950  1.0 3.0
   33    40    44    45   0.00000  1.0 1.0
   33    40    44    49   0.09850  1.0 1.0
   33    40    44    49   0.15250 -1.0 2.0
   33    40    44    49  -0.50650  1.0 3.0
   33    40    60    57   0.09850  1.0 1.0
   33    40    60    57   0.15250 -1.0 2.0
   33    40    60    57  -0.50650  1.0 3.0
   33    40    60    61   0.00000  1.0 1.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    60   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    60   0.34400  1.0 1.0
   38    33    40    60   0.09450 -1.0 2.0
   38    33    40    60   0.11100  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41    48    51   2.26350  1.0 1.0
   38    41    48    51   0.76750 -1.0 2.0
   38    41    48    51   0.22500  1.0 3.0
   38    41   -48    66   2.26350  1.0 1.0
   38    41   -48    66   0.76750 -1.0 2.0
   38    41   -48    66   0.22500  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    48   0.00000  1.0 1.0
   39    38    43    66   0.08050  1.0 3.0
   41    38   -43    66  -0.25600  1.0 1.0
   41    38   -43    66  -0.40050 -1.0 2.0
   41    38   -43    66   0.34700  1.0 3.0
   41    48    51    52   3.62500 -1.0 2.0
   41    48    51    55   3.62500 -1.0 2.0
   41    48    66    62   3.62500 -1.0 2.0
   41    48   -66    43   3.62500 -1.0 2.0
   42    41    48    51   1.05000 -1.0 2.0
   42    41    48    66   1.05000 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    59   3.62500 -1.0 2.0
   48    66   -43    38   1.63200 -1.0 2.0
   51    48    66    62   3.62500 -1.0 2.0
   51    48    66    43   3.62500 -1.0 2.0
   51    55   -59    62   3.62500 -1.0 2.0
   51    55    59    64   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59    62    63   3.62500 -1.0 2.0
   55    59    62    66   3.62500 -1.0 2.0
   55    59    64    65   0.84100 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   56    55    59    64   3.62500 -1.0 2.0
   59    62   -66    48   3.62500 -1.0 2.0
   59    62    66    43   3.62500 -1.0 2.0
   62    59    64    65   0.84100 -1.0 2.0
   62    66    43    38   1.63200 -1.0 2.0
   63    62    66    48   3.62500 -1.0 2.0
   63    62    66    43   3.62500 -1.0 2.0
   66    48    51    52   3.62500 -1.0 2.0
   66    48   -51    55   3.62500 -1.0 2.0
   43    38    41    42   0.30150 -1.0 2.0
   43    38   -41    48   0.65300  1.0 1.0
   43    38   -41    48  -0.03850 -1.0 2.0
   43    38   -41    48   0.33900  1.0 3.0
   64    59    62    63   3.62500 -1.0 2.0
   64    59    62    66   3.62500 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41  -0.95700  1.0 1.0
   40    33    38    41  -0.18200 -1.0 2.0
   40    33    38    41   0.29450  1.0 3.0
   40    33    38    43   0.62750  1.0 1.0
   40    33    38    43  -0.30950 -1.0 2.0
   40    33    38    43   0.27300  1.0 3.0
   40    44    49    50   7.00000 -1.0 2.0
   40    44    49    53   7.00000 -1.0 2.0
   44    40    60    57  -0.28300  1.0 1.0
   44    40    60    57   0.26700 -1.0 2.0
   44    40    60    57  -0.63300  1.0 3.0
   44    40    60    61   0.00000  1.0 1.0
   44    40    46    47  -0.07800  1.0 1.0
   44    40    46    47  -0.21500 -1.0 2.0
   44    40    46    47  -0.03150  1.0 3.0
   44    49    53    54   1.00000 -1.0 2.0
   44    49   -53    57  -1.18350  1.0 1.0
   44    49   -53    57   1.45950 -1.0 2.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    53   7.00000 -1.0 2.0
   49    53    57    58   0.93700 -1.0 2.0
   49    53    57    60  -1.18350  1.0 1.0
   49    53    57    60   1.45950 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    57   0.93700 -1.0 2.0
   53    57   -60    40   7.00000 -1.0 2.0
   53    57    60    61   7.00000 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    60   1.00000 -1.0 2.0
   58    57    60    40   7.00000 -1.0 2.0
   58    57    60    61   7.00000 -1.0 2.0
   60    40    44    45   0.00000  1.0 1.0
   60    40   -44    49  -0.28300  1.0 1.0
   60    40   -44    49   0.26700 -1.0 2.0
   60    40   -44    49  -0.63300  1.0 3.0
   60    40    46    47  -0.07800  1.0 1.0
   60    40    46    47  -0.21500 -1.0 2.0
   60    40    46    47  -0.03150  1.0 3.0
   46    40    44    45   0.00000  1.0 1.0
   46    40    44    49   0.67800  1.0 1.0
   46    40    44    49   0.47050 -1.0 2.0
   46    40    44    49  -0.62500  1.0 3.0
   46    40    60    57   0.67800  1.0 1.0
   46    40    60    57   0.47050 -1.0 2.0
   46    40    60    57  -0.62500  1.0 3.0
   46    40    60    61   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
   36    30    35    37  10.50000 -1.0 2.0
   38    48    41    42  10.50000 -1.0 2.0
   51    66    48    41   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   62    64    59    55   4.00000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   62    43    66    48   4.00000 -1.0 2.0
   40    45    44    49   1.10000 -1.0 2.0
   53    50    49    44   1.10000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   53    58    57    60   1.10000 -1.0 2.0
   40    61    60    57   1.10000 -1.0 2.0
END
