* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    135    204     388
    1     0 S   NP   _N1_     1    28.57987    98.03279   -22.07489
    2     1 S   H    _HN1     2     1.02785    96.36091   -87.43556
    3     1 S   H    _H1_     3     1.02949    63.96002    19.92323
    4     1 S   H    _H2_     4     1.02829    50.98668   164.65346
    5     1 S   CT   _CA1     5     1.50111   150.69021   105.46573
    6     5 S   HC   _HA1     6     1.09572   105.19743   104.76038
    7     5 S   CO3  _C1_     7     1.53792   112.47199   -15.48123
    8     7 S   O2Z  _O11     8     1.26372   115.00823   -42.35367
    9     7 S   O2Z  _O12     9     1.26241   114.94953   136.79337
   10     5 S   CT   _CB1    10     1.53076   107.42177  -137.24659
   11    10 S   HC   HB11    11     1.09832   109.38446   -49.66379
   12    10 S   HC   HB12    12     1.09813   110.44089    66.95002
   13    10 S   CT   _CG1    13     1.52986   112.59763  -170.64184
   14    13 S   HC   HG11    14     1.09583   110.62138   -65.42641
   15    13 S   HC   HG12    15     1.09669   109.79525    53.80588
   16    13 S   C    _CD1    16     1.51797   112.24115   174.26728
   17    16 S   O    _OE1    17     1.22722   123.26941     6.41558
   18    16 S   N    _N2_    18     1.38645   111.63700  -173.66977
   19    18 S   H    _HN2    19     1.01569   118.91613     1.96015
   20    18 S   CT1  _CA2    20     1.46202   123.43436   177.76279
   21    20 S   HC   _HA2    21     1.09729   109.36727     2.84593
   22    20 S   C    _C2_    22     1.53551   108.64785  -112.60536
   23    22 S   O    _O2_    23     1.23066   122.34406  -147.12447
   24    20 S   CT   _CB2    32     1.53350   111.47612   124.91420
   25    24 S   HC   HB21    33     1.09565   110.24334    54.66839
   26    24 S   HC   HB22    34     1.09326   109.60127   173.74796
   27    22 S   N    _N3_    24     1.38340   113.66392    40.21649
   28    27 S   H    _HN3    25     1.01582   119.56870    -2.96174
   29    24 S   S    _SG2    35     1.82710   111.27069   -66.42005
   30    27 S   CT   _CA3    26     1.45278   123.19895   177.12336
   31    30 S   HC   HA31    27     1.09550   107.47485   -65.37934
   32    30 S   HC   HA32    28     1.09557   108.02102    51.05652
   33    29 S   CT   _C19    36     1.85746   100.56360   170.85583
   34    33 S   HC   _H3_    37     1.09737   106.28423   -49.12272
   35    30 S   CO3  _C3_    29     1.52956   114.09822   173.08755
   36    35 S   O2Z  _O31    30     1.26374   116.08460    -0.66823
   37    35 S   O2Z  _O32    31     1.26432   114.40856   179.40818
   38    33 S   CT   _C18    38     1.54380   109.69554    66.96599
   39    38 S   HC   _H38    39     1.09735   110.04123   -59.75683
   40    38 S   HC   _H39    40     1.09646   109.77542  -175.94324
   41    33 S   CT   _C20    65     1.56577   111.00753  -165.51994
   42    38 S   OS   _O23    41     1.43173   111.01184    63.52231
   43    41 S   CT   _C15    66     1.53892   112.08823    59.12864
   44    43 S   HC   _H29    67     1.09464   112.02194   -67.52878
   45    43 S   HC   _H30    68     1.09669   110.75973   175.20588
   46    43 S   HC   _H31    69     1.09486   111.47701    54.81166
   47    41 S   CT   _C16    70     1.53757   111.15384  -179.65113
   48    47 S   HC   _H32    71     1.09505   111.57900    67.96577
   49    47 S   HC   _H33    72     1.09663   110.86940  -174.93187
   50    47 S   HC   _H34    73     1.09470   111.56267   -54.32496
   51    41 S   OH   _O21    74     1.43052   110.16177   -61.07353
   52    51 S   HO   _H41    75     0.97226   108.22904   179.37037
   53    42 S   CA   _C11    42     1.37074   110.12418  -165.54530
   54    53 S   C56A _C8_    43     1.39344   122.36094   -86.82251
   55    54 S   C56B _C6_    44     1.39199   123.63331  -178.28217
   56    55 S   C5B  _C4_    45     1.42209   105.49978   179.40851
   57    56 S   HA   _H25    46     1.08081   127.47482  -179.61033
   58    55 S   CA   _C10    50     1.41363   118.43371    -0.25944
   59    56 S   C5A  _C5_    47     1.37521   106.53963     0.40926
   60    59 S   HA   _H26    48     1.08034   133.72861   179.92087
   61    58 S   CA   _C7_    51     1.41078   119.61673     2.68890
   62    58 S   OS   _O22    60     1.37954   120.64480   178.22348
   63    54 S   OA   _O19    49     1.36294   126.01539     1.55947
   64    53 S   CA   _C9_    52     1.39936   121.05646    97.26500
   65    62 S   CT   _C17    61     1.42813   110.11637    82.06671
   66    65 S   HC   _H35    62     1.09409   107.76600   173.08712
   67    65 S   HC   _H36    63     1.09584   111.44379    54.77487
   68    65 S   HC   _H37    64     1.09465   111.22120   -68.77269
   69    64 S   OS   _O20    53     1.41551   117.06134    -2.04181
   70    69 S   CO4  _C14    54     1.38776   122.35628  -178.55599
   71    70 S   O    _O18    55     1.22552   122.24546   178.62485
   72    70 S   CM   _C13    56     1.47151   116.40000    -1.56948
   73    72 S   HC   _H28    57     1.08427   117.13537  -179.01762
   74    61 S   CM   _C12    58     1.45930   122.80439   177.64416
   75    74 S   HC   _H27    59     1.08450   119.09888    -0.99071
  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  10   4   3  11   7   9   4   3   2   5   3
   2   1   1   1  11  11  11   7   4  13   2   1   9   6   1   6
   3   2   1   1   5   5   3   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    43    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    53    41    43    44    45    46    47    48    49    50    51    52  
   38    39    40    42    41    43    47    51  
   36    37  
   37  
    0  
   39    40    42    53    54    64    41    43    47    51  
   40    42    53    41  
   42    53    41  
   43    44    45    46    47    48    49    50    51    52    42  
   53    54    55    63    61    64    69  
   44    45    46    47    48    49    50    51    52  
   45    46    47    51  
   46    47    51  
   47    51  
   48    49    50    51    52  
   49    50    51  
   50    51  
   51  
   52  
    0  
   54    55    56    59    63    58    61    64    69    70    74  
   55    56    57    59    60    63    58    61    64    69    62  
   56    57    59    60    63    58    61    64    74    62    65  
   57    59    60    63    58    61    62  
   59    60    63    58  
   61    64    69    72    74    75    62    65    66    67    68    59    63  
   60    63  
   63  
   64    69    70    72    73    74    75    62    65  
   65    66    67    68    64    74  
   64  
   69    70    71    72    74    75  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72    73    74    75  
   72    73    74  
   73    74    75  
   74    75  
   75  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.029000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.514600   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.241900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.010800   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.079700   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.171600   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.035400   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   320.000  1.410
   42    53   450.000  1.364
   53    54   469.000  1.400
   53    64   469.000  1.400
   54    55   447.000  1.419
   54    63   425.000  1.380
   55    56   380.000  1.440
   55    58   469.000  1.404
   56    57   367.000  1.080
   56    59   520.000  1.370
   59    60   367.000  1.080
   59    63   340.000  1.360
   58    61   469.000  1.400
   58    62   450.000  1.364
   61    64   469.000  1.400
   61    74   320.000  1.460
   64    69   450.000  1.364
   69    70   214.000  1.327
   70    71   570.000  1.229
   70    72   320.000  1.462
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   41    43   268.000  1.529
   41    47   268.000  1.529
   41    51   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    50.00000  109.50000
   33    41    43    58.35000  112.70000
   33    41    47    58.35000  112.70000
   33    41    51    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    53    75.00000  111.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    53    54    70.00000  120.00000
   42    53    64    70.00000  120.00000
   53    54    55    85.00000  122.70000
   53    54    63    70.00000  124.10000
   53    64    61    63.00000  120.00000
   53    64    69    70.00000  120.00000
   54    55    56    80.00000  107.43600
   54    55    58    85.00000  116.20000
   54    63    59   110.00000  105.28000
   55    56    57    35.00000  127.20800
   55    56    59    80.00000  105.82900
   55    58    61    63.00000  120.00000
   55    58    62    70.00000  120.00000
   56    59    60    35.00000  130.70000
   56    59    63    70.00000  108.00000
   59    56    57    35.00000  128.20000
   63    54    55   100.00000  108.43400
   63    59    60    35.00000  113.40000
   58    55    56    50.00000  134.85500
   58    61    64    63.00000  120.00000
   58    61    74    60.00000  120.93500
   58    62    65    75.00000  111.00000
   61    64    69    70.00000  120.00000
   61    74    72    60.00000  123.20500
   61    74    75    40.00000  117.26300
   64    53    54    85.00000  120.00000
   64    69    70    85.00000  115.98000
   69    70    71    83.00000  123.40000
   69    70    72    90.00000  111.29400
   70    72    73    40.00000  117.72500
   70    72    74    65.00000  118.96000
   72    70    71    80.00000  123.72100
   72    74    75    35.00000  120.00000
   74    61    64    60.00000  120.93500
   74    72    73    35.00000  120.00000
   62    58    61    70.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    46    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   41    51    52    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    41    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    41    43    50.00000  109.50000
   51    41    47    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    43   0.44750  1.0 1.0
   29    33    41    43  -0.17800 -1.0 2.0
   29    33    41    43   0.20200  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   29    33    41    51   0.56750  1.0 1.0
   29    33    41    51  -0.07550 -1.0 2.0
   29    33    41    51   0.20000  1.0 3.0
   33    38    42    53  -0.32850  1.0 1.0
   33    38    42    53  -0.35800 -1.0 2.0
   33    38    42    53   0.33950  1.0 3.0
   33    41    43    44   0.15000  1.0 3.0
   33    41    43    45   0.15000  1.0 3.0
   33    41    43    46   0.15000  1.0 3.0
   33    41    47    48   0.15000  1.0 3.0
   33    41    47    49   0.15000  1.0 3.0
   33    41    47    50   0.15000  1.0 3.0
   33    41    51    52  -0.11600  1.0 1.0
   33    41    51    52  -0.09450 -1.0 2.0
   33    41    51    52   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    47   0.15000  1.0 3.0
   34    33    41    51   0.23400  1.0 3.0
   38    33    41    43   0.56750  1.0 1.0
   38    33    41    43  -0.07550 -1.0 2.0
   38    33    41    43   0.20000  1.0 3.0
   38    33    41    47   0.56750  1.0 1.0
   38    33    41    47  -0.07550 -1.0 2.0
   38    33    41    47   0.20000  1.0 3.0
   38    33    41    51   0.86500  1.0 1.0
   38    33    41    51  -0.17500 -1.0 2.0
   38    33    41    51   0.20800  1.0 3.0
   38    42    53    54   1.63200 -1.0 2.0
   38    42    53    64   1.63200 -1.0 2.0
   39    38    42    53   0.08050  1.0 3.0
   40    38    42    53   0.08050  1.0 3.0
   42    53    54    55   3.62500 -1.0 2.0
   42    53    54    63   3.62500 -1.0 2.0
   42    53    64    61   3.62500 -1.0 2.0
   42    53    64    69   3.62500 -1.0 2.0
   53    54    55    56   3.00000 -1.0 2.0
   53    54    55    58   3.00000 -1.0 2.0
   53    54    63    59   3.62500 -1.0 2.0
   53    64    69    70   0.01300  1.0 1.0
   53    64    69    70   0.97950 -1.0 2.0
   53    64    69    70  -0.55700  1.0 3.0
   54    53    64    61   3.62500 -1.0 2.0
   54    53    64    69   3.62500 -1.0 2.0
   54    55    56    57   3.50000 -1.0 2.0
   54    55   -56    59   3.50000 -1.0 2.0
   54    55   -58    61   3.50000 -1.0 2.0
   54    55    58    62   3.62500 -1.0 2.0
   55    54   -63    59   3.62500 -1.0 2.0
   55    56    59    60   3.62500 -1.0 2.0
   55    56   -59    63   3.62500 -1.0 2.0
   55    58    61    64   3.62500 -1.0 2.0
   55    58    61    74   3.62500 -1.0 2.0
   55    58    62    65   1.63200 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   56    59   -63    54   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    63   3.62500 -1.0 2.0
   60    59    63    54   3.62500 -1.0 2.0
   63    54   -55    56   3.62500 -1.0 2.0
   63    54    55    58   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    59   3.62500 -1.0 2.0
   58    61   -64    53   3.62500 -1.0 2.0
   58    61    64    69   3.62500 -1.0 2.0
   58    61    74    72   0.15800  1.0 1.0
   58    61    74    72   1.85350 -1.0 2.0
   58    61    74    72  -0.48700  1.0 3.0
   58    61    74    75   0.56550  1.0 3.0
   58    62    65    66   0.08050  1.0 3.0
   58    62    65    67   0.08050  1.0 3.0
   58    62    65    68   0.08050  1.0 3.0
   61    58    62    65   1.63200 -1.0 2.0
   61    64    69    70   0.01300  1.0 1.0
   61    64    69    70   0.97950 -1.0 2.0
   61    64    69    70  -0.55700  1.0 3.0
   64    53   -54    55   3.62500 -1.0 2.0
   64    53    54    63   3.62500 -1.0 2.0
   64    61    74    72   0.15800  1.0 1.0
   64    61    74    72   1.85350 -1.0 2.0
   64    61    74    72  -0.48700  1.0 3.0
   64    61    74    75   0.56550  1.0 3.0
   64    69    70    71   3.00000 -1.0 2.0
   64    69   -70    72   2.00000 -1.0 2.0
   69    70    72    73   1.63100 -1.0 2.0
   69    70    72    74  -0.56150  1.0 1.0
   69    70    72    74   2.19150 -1.0 2.0
   70    72   -74    61   7.00000 -1.0 2.0
   70    72    74    75   7.00000 -1.0 2.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   1.00000 -1.0 2.0
   73    72    74    61   7.00000 -1.0 2.0
   73    72    74    75   7.00000 -1.0 2.0
   74    61    64    53   3.62500 -1.0 2.0
   74    61   -64    69   3.62500 -1.0 2.0
   62    58    61    64   3.62500 -1.0 2.0
   62    58    61    74   3.62500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.62750  1.0 1.0
   41    33    38    42  -0.30950 -1.0 2.0
   41    33    38    42   0.27300  1.0 3.0
   43    41    47    48   0.15000  1.0 3.0
   43    41    47    49   0.15000  1.0 3.0
   43    41    47    50   0.15000  1.0 3.0
   43    41    51    52  -0.11600  1.0 1.0
   43    41    51    52  -0.09450 -1.0 2.0
   43    41    51    52   0.21250  1.0 3.0
   47    41    43    44   0.15000  1.0 3.0
   47    41    43    45   0.15000  1.0 3.0
   47    41    43    46   0.15000  1.0 3.0
   47    41    51    52  -0.11600  1.0 1.0
   47    41    51    52  -0.09450 -1.0 2.0
   47    41    51    52   0.21250  1.0 3.0
   51    41    43    44   0.23400  1.0 3.0
   51    41    43    45   0.23400  1.0 3.0
   51    41    43    46   0.23400  1.0 3.0
   51    41    47    48   0.23400  1.0 3.0
   51    41    47    49   0.23400  1.0 3.0
   51    41    47    50   0.23400  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   54    64    53    42   4.00000 -1.0 2.0
   55    63    54    53   4.00000 -1.0 2.0
   56    58    55    54   4.00000 -1.0 2.0
   59    57    56    55   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   61    62    58    55   4.00000 -1.0 2.0
   64    74    61    58   4.00000 -1.0 2.0
   61    69    64    53   4.00000 -1.0 2.0
   69    72    70    71  10.50000 -1.0 2.0
   70    73    72    74   1.10000 -1.0 2.0
   61    75    74    72   1.10000 -1.0 2.0
END
