* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    219     412
    1     0 S   NP   _N1_     1    28.72234    95.90959   -23.03770
    2     1 S   H    _HN1     2     1.02832    36.79456   170.52829
    3     1 S   H    _H1_     3     1.02778    98.58990   -80.94194
    4     1 S   H    _H2_     4     1.02952    76.81468    26.03135
    5     1 S   CT   _CA1     5     1.50080   142.86730   132.47388
    6     5 S   HC   _HA1     6     1.09584   105.20130    82.16372
    7     5 S   CO3  _C1_     7     1.53857   112.72415   -37.86057
    8     7 S   O2Z  _O11     8     1.26358   114.97268   -38.33986
    9     7 S   O2Z  _O12     9     1.26310   114.94364   141.09212
   10     5 S   CT   _CB1    10     1.53155   107.45710  -159.95741
   11    10 S   HC   HB11    11     1.09808   109.36793   -52.07744
   12    10 S   HC   HB12    12     1.09810   110.43981    64.61625
   13    10 S   CT   _CG1    13     1.52825   112.37456  -173.23242
   14    13 S   HC   HG11    14     1.09560   110.06603   -66.52667
   15    13 S   HC   HG12    15     1.09655   109.92686    52.76148
   16    13 S   C    _CD1    16     1.51589   113.04980   173.61868
   17    16 S   O    _OE1    17     1.22672   123.41162     1.78136
   18    16 S   N    _N2_    18     1.38637   111.20965  -178.54505
   19    18 S   H    _HN2    19     1.01676   118.89189     2.03769
   20    18 S   CT1  _CA2    20     1.46156   123.63655  -178.77188
   21    20 S   HC   _HA2    21     1.09721   109.41429    -2.31173
   22    20 S   C    _C2_    22     1.53523   109.01254  -118.17678
   23    22 S   O    _O2_    23     1.23057   122.03167  -149.88493
   24    20 S   CT   _CB2    32     1.53303   110.88894   119.59448
   25    24 S   HC   HB21    33     1.09458   109.36700    55.65201
   26    24 S   HC   HB22    34     1.09501   110.82349   174.36612
   27    22 S   N    _N3_    24     1.38446   113.70599    37.69438
   28    27 S   H    _HN3    25     1.01492   118.91553    -1.18201
   29    24 S   S    _SG2    35     1.82951   111.50276   -66.03213
   30    27 S   CT   _CA3    26     1.45455   123.62140   175.27200
   31    30 S   HC   HA31    27     1.09516   109.45021    20.31353
   32    30 S   HC   HA32    28     1.09508   107.07019   137.32122
   33    29 S   CT   _C10    36     1.84235    99.49642   161.48526
   34    33 S   HC   _H3_    37     1.09588   105.50200    41.13119
   35    30 S   CO3  _C3_    29     1.52907   112.95594  -103.32626
   36    35 S   O2Z  _O31    30     1.26420   115.34066   -46.54872
   37    35 S   O2Z  _O32    31     1.26349   115.03558   134.35568
   38    33 S   CA   _C9_    38     1.52175   110.97158   157.71974
   39    33 S   CM   _C11    51     1.51375   109.20132   -78.07896
   40    39 S   HC   _H10    52     1.09103   115.66539   -58.80555
   41    38 S   CA   _C4_    39     1.40567   119.41735  -118.48858
   42    41 S   HA   _H7_    40     1.08783   120.29423     0.12820
   43    39 S   CMA  _C12    53     1.35445   126.77669   120.54841
   44    43 S   OM   _O33    54     1.26707   126.03120     1.50571
   45    41 S   CA   _C5_    41     1.39707   120.95934  -179.73312
   46    45 S   HA   _H8_    42     1.08615   119.31100  -179.98022
   47    43 S   OS   _O34    55     1.41867   109.77880   179.75934
   48    45 S   CA   _C6_    43     1.39251   119.71847     0.10653
   49    47 S   CT   _C13    56     1.43758   115.41724   134.17306
   50    49 S   HC   _H4_    57     1.09775   110.62548    44.68954
   51    48 S   CA   _C7_    44     1.39164   120.11978     0.08156
   52    48 S   OH   _O41    49     1.36716   120.47794  -180.00000
   53    52 S   HO   _H19    50     0.97200   108.66388    -0.21761
   54    49 S   CT   _C14    58     1.54370   107.90696   160.16701
   55    54 S   HC   _H11    59     1.09801   108.78937  -166.97035
   56    54 S   HC   _H12    60     1.09819   107.83387   -51.02030
   57    38 S   CA   _C8_    45     1.40645   122.09329    62.10325
   58    57 S   HA   _H9_    46     1.08728   119.94201    -0.30001
   59    51 S   OH   _O40    47     1.36773   119.28841   179.89721
   60    59 S   HO   _H18    48     0.97211   108.67111  -179.68410
   61    54 S   CT   _C15    61     1.54064   113.94004    70.79751
   62    61 S   CT   _C16    62     1.52977   111.47759    50.64819
   63    62 S   HC   _H13    63     1.09819   110.12882  -173.52761
   64    62 S   HC   _H14    64     1.09774   111.24351    69.73512
   65    61 S   CO3  _C19    73     1.55300   106.72649   175.70919
   66    65 S   O2Z  _O38    74     1.26722   114.68579    70.34026
   67    65 S   O2Z  _O37    75     1.26268   116.42448  -109.53734
   68    61 S   OH   _O39    76     1.43345   109.56093   -68.68266
   69    68 S   HO   _H17    77     0.97415   107.02888   -64.41077
   70    62 S   CT   _C17    65     1.53102   111.79943   -52.72141
   71    70 S   HC   _H5_    66     1.09634   109.97307   -65.18491
   72    49 S   CT   _C18    67     1.53798   110.85299   -77.96008
   73    72 S   HC   _H6_    68     1.09574   111.46424    54.79932
   74    70 S   OH   _O36    71     1.42715   109.48938   177.58249
   75    74 S   HO   _H16    72     0.97611   107.26349    57.73471
   76    72 S   OH   _O35    69     1.43115   108.97399   172.34537
   77    76 S   HO   _H15    70     0.97243   107.20496   -61.52119
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  10   7
  15   8   6   3   1  15   6   5   3   1   1   1  12  14   7   6
   5   2   1   2   1   7   5   5   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    57    58    59    39    40    43  
   40    43    44    47    49    41    57  
   43    44    47  
   42    45    46    48    51    57    58    52  
   45    46    48    57  
   44    47    49    50    54    72  
   47    49  
   46    48    51    57    59    52    53  
   48    51    52  
   49    50    54    55    56    61    70    72    73    76  
   51    57    58    59    60    52    53  
   50    54    55    56    61    62    70    71    72    73    76    77    74    65    68  
   54    55    56    61    70    72    73    76  
   57    58    59    60    52    53  
   53    57    59  
    0  
   55    56    61    62    63    64    70    72    73    76    65    66    67    68    69  
   56    61    62    72    65    68  
   61    62    72    65    68  
   58    59    60  
   59  
   60  
    0  
   62    63    64    70    71    72    74    65    66    67    68    69  
   63    64    70    71    72    73    76    74    75    65    66    67    68    69  
   64    70    71    72    74    65    68  
   70    71    72    74    65    68  
   66    67    68    69    70  
   67    68  
   68  
   69    70  
    0  
   71    72    73    76    77    74    75  
   72    73    76    74    75  
   73    76    77    74    75  
   76    77    74  
   75    76  
    0  
   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    57   469.000  1.400
   51    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    72   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   268.000  1.529
   61    65   317.000  1.522
   61    68   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   320.000  1.410
   76    77   553.000  0.945
   74    75   553.000  0.945
   65    66   656.000  1.250
   65    67   656.000  1.250
   68    69   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    57    63.00000  120.00000
   48    51    59    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    57    58    35.00000  120.00000
   51    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    51    57    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    50.00000  109.50000
   47    49    72    50.00000  109.50000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    61    58.35000  112.70000
   49    72    70    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    76    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    61    62    58.35000  112.70000
   54    61    65    70.00000  109.69300
   54    61    68    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    70    58.35000  112.70000
   61    65    66    70.00000  117.00000
   61    65    67    70.00000  117.00000
   61    68    69    55.00000  108.50000
   62    70    71    37.50000  110.70000
   62    70    72    58.35000  112.70000
   62    70    74    50.00000  109.50000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    76    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    49    50    37.50000  110.70000
   72    49    54    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    76    77    55.00000  108.50000
   76    72    73    35.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   65    61    62    70.00000  109.69300
   67    65    66    80.00000  126.00000
   68    61    62    50.00000  109.50000
   68    61    65    95.00000  109.52300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   45    48    51    59   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -57    38   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    51    59    60   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    51    59    60   0.84100 -1.0 2.0
   59    51    57    38   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   52    48    51    57   3.62500 -1.0 2.0
   52    48    51    59   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    72  -0.46850  1.0 1.0
   43    47    49    72   0.09300 -1.0 2.0
   43    47    49    72  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    56   0.23400  1.0 3.0
   47    49    54    61   0.62750  1.0 1.0
   47    49    54    61  -0.30950 -1.0 2.0
   47    49    54    61   0.27300  1.0 3.0
   47    49    72    70   0.62750  1.0 1.0
   47    49    72    70  -0.30950 -1.0 2.0
   47    49    72    70   0.27300  1.0 3.0
   47    49    72    73   0.23400  1.0 3.0
   47    49    72    76   3.69350  1.0 1.0
   47    49    72    76  -1.82950 -1.0 2.0
   49    54    61    62   0.56750  1.0 1.0
   49    54    61    62  -0.07550 -1.0 2.0
   49    54    61    62   0.20000  1.0 3.0
   49    54    61    65  -1.63150  1.0 1.0
   49    54    61    65  -0.43550 -1.0 2.0
   49    54    61    65   0.24500  1.0 3.0
   49    54    61    68   0.86500  1.0 1.0
   49    54    61    68  -0.17500 -1.0 2.0
   49    54    61    68   0.20800  1.0 3.0
   49    72    76    77  -0.11600  1.0 1.0
   49    72    76    77  -0.09450 -1.0 2.0
   49    72    76    77   0.21250  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   50    49    72    70   0.15000  1.0 3.0
   50    49    72    73   0.15000  1.0 3.0
   50    49    72    76   0.23400  1.0 3.0
   54    49    72    70   0.56750  1.0 1.0
   54    49    72    70  -0.07550 -1.0 2.0
   54    49    72    70   0.20000  1.0 3.0
   54    49    72    73   0.15000  1.0 3.0
   54    49    72    76   0.86500  1.0 1.0
   54    49    72    76  -0.17500 -1.0 2.0
   54    49    72    76   0.20800  1.0 3.0
   54    61    62    63   0.15000  1.0 3.0
   54    61    62    64   0.15000  1.0 3.0
   54    61   -62    70   0.56750  1.0 1.0
   54    61   -62    70  -0.07550 -1.0 2.0
   54    61   -62    70   0.20000  1.0 3.0
   54    61    65    66   0.41150 -1.0 2.0
   54    61    65    67   0.41150 -1.0 2.0
   54    61    68    69  -0.11600  1.0 1.0
   54    61    68    69  -0.09450 -1.0 2.0
   54    61    68    69   0.21250  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    65  -0.11250  1.0 3.0
   55    54    61    68   0.23400  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    65  -0.11250  1.0 3.0
   56    54    61    68   0.23400  1.0 3.0
   61    62    70    71   0.15000  1.0 3.0
   61    62    70    72   0.56750  1.0 1.0
   61    62    70    72  -0.07550 -1.0 2.0
   61    62    70    72   0.20000  1.0 3.0
   61    62    70    74   0.86500  1.0 1.0
   61    62    70    74  -0.17500 -1.0 2.0
   61    62    70    74   0.20800  1.0 3.0
   62    61    65    66   0.41150 -1.0 2.0
   62    61    65    67   0.41150 -1.0 2.0
   62    61    68    69  -0.11600  1.0 1.0
   62    61    68    69  -0.09450 -1.0 2.0
   62    61    68    69   0.21250  1.0 3.0
   62    70   -72    49   0.56750  1.0 1.0
   62    70   -72    49  -0.07550 -1.0 2.0
   62    70   -72    49   0.20000  1.0 3.0
   62    70    72    73   0.15000  1.0 3.0
   62    70    72    76   0.86500  1.0 1.0
   62    70    72    76  -0.17500 -1.0 2.0
   62    70    72    76   0.20800  1.0 3.0
   62    70    74    75  -0.11600  1.0 1.0
   62    70    74    75  -0.09450 -1.0 2.0
   62    70    74    75   0.21250  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    74   0.23400  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    74   0.23400  1.0 3.0
   70    72    76    77  -0.11600  1.0 1.0
   70    72    76    77  -0.09450 -1.0 2.0
   70    72    76    77   0.21250  1.0 3.0
   71    70    72    49   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    49    54    55   0.15000  1.0 3.0
   72    49    54    56   0.15000  1.0 3.0
   72    49   -54    61   0.56750  1.0 1.0
   72    49   -54    61  -0.07550 -1.0 2.0
   72    49   -54    61   0.20000  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   73    72    76    77   0.19450  1.0 3.0
   74    70    72    49   0.86500  1.0 1.0
   74    70    72    49  -0.17500 -1.0 2.0
   74    70    72    49   0.20800  1.0 3.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   3.75450  1.0 1.0
   65    61    62    63  -0.11250  1.0 3.0
   65    61    62    64  -0.11250  1.0 3.0
   65    61    62    70  -1.63150  1.0 1.0
   65    61    62    70  -0.43550 -1.0 2.0
   65    61    62    70   0.24500  1.0 3.0
   65    61    68    69   0.91850  1.0 1.0
   65    61    68    69   0.57950  1.0 3.0
   68    61    62    63   0.23400  1.0 3.0
   68    61    62    64   0.23400  1.0 3.0
   68    61    62    70   0.86500  1.0 1.0
   68    61    62    70  -0.17500 -1.0 2.0
   68    61    62    70   0.20800  1.0 3.0
   68    61    65    66   0.30150 -1.0 2.0
   68    61    65    67   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
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   57    59    51    48   4.00000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   66    61    65    67  10.50000 -1.0 2.0
END
