* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    134    216     399
    1     0 S   NP   _N1_     1    31.99902    92.30205   -27.94648
    2     1 S   H    _HN1     2     1.02790    21.81278   -43.21086
    3     1 S   H    _H1_     3     1.02770   106.62786  -140.31741
    4     1 S   H    _H2_     4     1.03208   126.56148   -12.23182
    5     1 S   CT   _CA1     5     1.50142    92.55620   105.74330
    6     5 S   HC   _HA1     6     1.09549   105.33845    51.98659
    7     5 S   CO3  _C1_     7     1.53835   112.44794   -68.59300
    8     7 S   O2Z  _O11     8     1.26374   115.16754   -44.52822
    9     7 S   O2Z  _O12     9     1.26261   114.85744   134.62709
   10     5 S   CT   _CB1    10     1.52897   107.13047   170.20799
   11    10 S   HC   HB11    11     1.09843   109.63486   -47.33965
   12    10 S   HC   HB12    12     1.09765   110.03536    69.11949
   13    10 S   CT   _CG1    13     1.53000   113.32443  -168.73883
   14    13 S   HC   HG11    14     1.09556   110.70724   -57.67895
   15    13 S   HC   HG12    15     1.09586   110.28271    62.13066
   16    13 S   C    _CD1    16     1.51649   111.06988  -177.54385
   17    16 S   O    _OE1    17     1.22871   123.00608    -4.67148
   18    16 S   N    _N2_    18     1.38808   112.38068   175.08271
   19    18 S   H    _HN2    19     1.01574   119.45561     5.45363
   20    18 S   CT1  _CA2    20     1.45890   122.30254  -176.38773
   21    20 S   HC   _HA2    21     1.09457   108.38812    15.22424
   22    20 S   C    _C2_    22     1.53824   110.92239  -100.19117
   23    22 S   O    _O2_    23     1.23169   121.64075  -156.76568
   24    20 S   CT   _CB2    32     1.53595   112.84792   136.25242
   25    24 S   HC   HB21    33     1.09702   109.15240    75.11684
   26    24 S   HC   HB22    34     1.09614   109.95191  -169.25785
   27    22 S   N    _N3_    24     1.38093   114.62534    30.19849
   28    27 S   H    _HN3    25     1.01497   119.82883    -3.41226
   29    24 S   S    _SG2    35     1.83079   118.19722   -45.02540
   30    27 S   CT   _CA3    26     1.45322   123.18066   177.10024
   31    30 S   HC   HA31    27     1.09550   107.58341   -62.91855
   32    30 S   HC   HA32    28     1.09557   107.91102    53.52460
   33    29 S   CT   _C19    36     1.82799   102.75389   -46.44638
   34    33 S   HC   _H13    37     1.08993   108.22847    64.73480
   35    33 S   HC   _H14    38     1.09568   104.94851   178.59305
   36    30 S   CO3  _C3_    29     1.52959   114.07538   175.49794
   37    36 S   O2Z  _O31    30     1.26375   116.03874     0.70276
   38    36 S   O2Z  _O32    31     1.26424   114.42924  -179.25954
   39    33 S   CT   _C18    39     1.53313   114.82502   -61.07479
   40    39 S   HC   _H5_    40     1.09407   111.58408    54.85874
   41    39 S   CT   _C17    41     1.54854   112.45517   178.01653
   42    41 S   HC   _H4_    42     1.09732   108.29707   173.37493
   43    39 S   OH   _O36    74     1.43256   109.09930   -63.24120
   44    43 S   HO   _H15    75     0.97316   107.10760    55.24212
   45    41 S   CT   _C16    43     1.54141   113.68092   -64.66732
   46    45 S   HC   _H3_    44     1.09469   109.17394    66.63862
   47    41 S   OH   _O37    72     1.42830   108.42825    57.23349
   48    47 S   HO   _H16    73     0.97342   106.76238    59.83061
   49    45 S   CT   _C15    45     1.54120   114.61056  -170.44747
   50    49 S   HC   _H11    46     1.09835   109.71827   165.02581
   51    49 S   HC   _H12    47     1.09745   109.14056    53.27196
   52    45 S   OH   _O38    70     1.42996   108.47759   -50.66060
   53    52 S   HO   _H17    71     0.97397   107.32252   159.75852
   54    49 S   NE   _N4_    48     1.48313   113.34011   -72.55906
   55    54 S   CM   _C8_    49     1.42233   120.79155   -76.14576
   56    54 S   CM   _C9_    62     1.43772   117.90847   103.66246
   57    55 S   CM   _C7_    50     1.35098   125.58630    -4.76720
   58    57 S   HC   _H8_    51     1.08371   122.63046    -0.27554
   59    56 S   NI   _N6_    63     1.38940   120.60439     2.97302
   60    57 S   CO4  _C6_    52     1.48917   122.82807   179.84423
   61    60 S   O    _O33    53     1.22705   121.20636   177.67426
   62    59 S   CDX  _C14    64     1.29971   121.92738  -179.21366
   63    62 S   OM   _O35    65     1.24491   126.13513   179.77883
   64    60 S   CM   _C5_    54     1.47910   117.97691    -2.37685
   65    64 S   HC   _H7_    55     1.08310   118.29350  -177.64366
   66    62 S   N    _N5_    66     1.38441   119.21227    -0.27483
   67    66 S   H    _H10    67     1.01362   117.16670  -179.90721
   68    64 S   CM   _C4_    56     1.33624   119.66590     2.59088
   69    68 S   HC   _H6_    57     1.08596   119.54891   179.82306
   70    75 S   C    _C13    68     1.48552   119.26666   178.65462
   71    70 S   O    _O34    69     1.22765   122.64302    -0.64194
   72    55 S   CM   _C12    58     1.47665   117.73798   175.51127
   73    72 S   CM   _C11    59     1.34427   119.23716     2.38581
   74    73 S   HC   _H9_    60     1.08665   120.83616  -179.68410
   75    73 S   CM   _C10    61     1.44747   121.70250     0.58617
  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   7   5   4   3
  10   5   4   2   1   1  11   6  13   7   3   1  11   7   3   1
  11   5   4   2   1  12  13  11   8   4   7   6   3   6   3   5
   3   5   3   5   2   5   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    52    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    54    52    53    47    48    43    44  
   45    46    49    52    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    55    56    52    53    47    48  
   49    50    51    54    52    53    47  
   48    49    52  
    0  
   50    51    54    55    57    72    75    56    59    52    53  
   51    54    55    56    52  
   54    55    56    52  
   53    54  
    0  
   55    57    58    60    68    72    73    75    56    59    62    70  
   57    58    60    61    64    68    69    72    73    74    75    56    59  
   59    62    63    66    70    71    57    72    73    74    75  
   58    60    61    64    65    68    72    73  
   60    61    64    72  
   62    63    66    67    70    73    75  
   61    64    65    68    69    72  
   64    65    68  
   63    66    67    70    71    75  
   66    67    70  
   65    68    69    72    73  
   68    69    72  
   67    70    71    73    75  
   70    71    75  
   69    72    73    74    75  
   72    73  
   71    72    73    74    75  
   73    75  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.271300   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.2800   0.1700  -0.681500   1.8540   1.6400   0.005000000   0.000000000
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.7500   0.1050   0.566500   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.622500   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   382.000  1.448
   54    55   425.000  1.378
   54    56   425.000  1.378
   55    57   549.000  1.340
   55    72   380.000  1.444
   57    58   340.000  1.080
   57    60   320.000  1.462
   60    61   570.000  1.229
   60    64   320.000  1.462
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    69   340.000  1.080
   68    72   380.000  1.444
   72    73   549.000  1.340
   73    74   340.000  1.080
   73    75   380.000  1.444
   75    56   549.000  1.340
   75    70   410.000  1.444
   56    59   405.000  1.380
   59    62   650.000  1.285
   62    63   795.000  1.237
   62    66   400.000  1.380
   66    67   434.000  1.010
   66    70   490.000  1.335
   70    71   570.000  1.229
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    52    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    54    80.00000  111.61500
   45    52    53    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    54    55    50.00000  121.00000
   49    54    56    50.00000  121.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    55    57    70.00000  124.03900
   54    55    72    70.00000  124.03900
   54    56    75    70.00000  124.03900
   54    56    59    85.00000  113.56000
   55    57    58    35.00000  120.00000
   55    57    60    65.00000  118.96000
   55    72    68    70.00000  123.01800
   55    72    73    70.00000  123.01800
   57    60    61    80.00000  123.72100
   57    60    64    65.00000  118.65900
   60    57    58    40.00000  117.72500
   60    64    65    40.00000  117.72500
   60    64    68    65.00000  118.96000
   64    60    61    80.00000  123.72100
   64    68    69    35.00000  120.00000
   64    68    72    70.00000  123.01800
   68    64    65    35.00000  120.00000
   68    72    73    70.00000  123.01800
   72    55    57    70.00000  123.01800
   72    68    69    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    75    70.00000  123.01800
   73    75    56    70.00000  123.01800
   73    75    70    70.00000  118.70000
   75    73    74    35.00000  120.00000
   75    56    59    70.00000  120.83400
   75    70    66    80.00000  111.56200
   75    70    71    80.00000  125.30000
   56    54    55    75.00000  118.45600
   56    59    62    70.00000  116.49400
   59    62    63    75.00000  134.47000
   59    62    66    80.00000  119.04400
   62    66    67    45.00000  120.05200
   62    66    70    70.00000  120.51600
   66    62    63   100.00000  109.55400
   66    70    71    80.00000  122.90000
   70    75    56    70.00000  118.70000
   70    66    67    35.00000  119.80000
   52    45    46    35.00000  109.50000
   52    45    49    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    52   0.86500  1.0 1.0
   39    41    45    52  -0.17500 -1.0 2.0
   39    41    45    52   0.20800  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    54   1.26750  1.0 1.0
   41    45    49    54  -0.00950 -1.0 2.0
   41    45    49    54   0.30600  1.0 3.0
   41    45    52    53  -0.11600  1.0 1.0
   41    45    52    53  -0.09450 -1.0 2.0
   41    45    52    53   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    52   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    54    55   0.25450  1.0 1.0
   45    49    54    55  -0.61700 -1.0 2.0
   45    49    54    55  -0.23550  1.0 3.0
   45    49    54    56   0.25450  1.0 1.0
   45    49    54    56  -0.61700 -1.0 2.0
   45    49    54    56  -0.23550  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.22950  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    54    55    57  -0.54700  1.0 1.0
   49    54    55    57   1.23000 -1.0 2.0
   49    54    55    72  -0.54700  1.0 1.0
   49    54    55    72   1.23000 -1.0 2.0
   49    54    56    75  -0.54700  1.0 1.0
   49    54    56    75   1.23000 -1.0 2.0
   49    54    56    59   1.00000 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    56   0.00000  1.0 1.0
   54    55    57    58   7.00000 -1.0 2.0
   54    55    57    60   7.00000 -1.0 2.0
   54    55    72    68  -0.18600  1.0 3.0
   54    55    72    73  -0.18600  1.0 3.0
   54    56    59    62   1.00000 -1.0 2.0
   55    54    56    75  -0.54500  1.0 1.0
   55    54    56    75   1.14150 -1.0 2.0
   55    54    56    59   1.00000 -1.0 2.0
   55    57    60    61   1.00000 -1.0 2.0
   55    57    60    64  -1.18350  1.0 1.0
   55    57    60    64   1.45950 -1.0 2.0
   55    72    73    74   7.00000 -1.0 2.0
   55    72   -73    75   7.00000 -1.0 2.0
   57    55    72    68   0.28850  1.0 1.0
   57    55    72    68   2.61350 -1.0 2.0
   57    55    72    68   0.78400  1.0 3.0
   57    55    72    73   0.28850  1.0 1.0
   57    55    72    73   2.61350 -1.0 2.0
   57    55    72    73   0.78400  1.0 3.0
   57    60    64    65   0.93700 -1.0 2.0
   57    60   -64    68  -1.18350  1.0 1.0
   57    60   -64    68   1.45950 -1.0 2.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    64   0.93700 -1.0 2.0
   60    64    68    69   7.00000 -1.0 2.0
   60    64    68    72   7.00000 -1.0 2.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    68   1.00000 -1.0 2.0
   64    68   -72    55   0.28850  1.0 1.0
   64    68   -72    55   2.61350 -1.0 2.0
   64    68   -72    55   0.78400  1.0 3.0
   64    68    72    73   0.28850  1.0 1.0
   64    68    72    73   2.61350 -1.0 2.0
   64    68    72    73   0.78400  1.0 3.0
   65    64    68    69   7.00000 -1.0 2.0
   65    64    68    72   7.00000 -1.0 2.0
   68    72    73    74   7.00000 -1.0 2.0
   68    72    73    75   7.00000 -1.0 2.0
   69    68    72    55  -0.18600  1.0 3.0
   69    68    72    73  -0.18600  1.0 3.0
   72    55    57    58   7.00000 -1.0 2.0
   72    55   -57    60   7.00000 -1.0 2.0
   72    73    75    56   0.28850  1.0 1.0
   72    73    75    56   2.61350 -1.0 2.0
   72    73    75    56   0.78400  1.0 3.0
   72    73    75    70  -0.18600  1.0 3.0
   73    75   -56    54   7.00000 -1.0 2.0
   73    75    56    59   7.00000 -1.0 2.0
   73    75    70    66   0.49500  1.0 1.0
   73    75    70    66   1.31600 -1.0 2.0
   73    75    70    66  -0.02300  1.0 3.0
   73    75    70    71   1.00000 -1.0 2.0
   74    73    75    56  -0.18600  1.0 3.0
   74    73    75    70   0.00000  1.0 1.0
   75    56    59    62   1.00000 -1.0 2.0
   56    54    55    57  -0.54500  1.0 1.0
   56    54    55    57   1.14150 -1.0 2.0
   56    54   -55    72  -0.54500  1.0 1.0
   56    54   -55    72   1.14150 -1.0 2.0
   56    75    70    66   0.49500  1.0 1.0
   56    75    70    66   1.31600 -1.0 2.0
   56    75    70    66  -0.02300  1.0 3.0
   56    75    70    71   1.00000 -1.0 2.0
   56    59    62    63   6.00000 -1.0 2.0
   56    59   -62    66   6.00000 -1.0 2.0
   59    62    66    67   1.00000 -1.0 2.0
   59    62    66    70  -0.56400  1.0 1.0
   59    62    66    70   0.77500 -1.0 2.0
   59    62    66    70   0.18700  1.0 3.0
   62    66   -70    75   2.45000 -1.0 2.0
   62    66    70    71   2.67200 -1.0 2.0
   63    62    66    67   1.00000 -1.0 2.0
   63    62    66    70  -0.56400  1.0 1.0
   63    62    66    70   0.77500 -1.0 2.0
   63    62    66    70   0.18700  1.0 3.0
   67    66    70    75   2.56700 -1.0 2.0
   67    66    70    71   2.45000 -1.0 2.0
   70    75    56    54   7.00000 -1.0 2.0
   70    75   -56    59   7.00000 -1.0 2.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    54   4.07950  1.0 1.0
   52    45    49    54  -0.26450 -1.0 2.0
   52    45    49    54  -0.12150  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    52   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   56    55    54    49   1.00000 -1.0 2.0
   54    72    55    57   1.10000 -1.0 2.0
   60    58    57    55   1.10000 -1.0 2.0
   57    64    60    61  10.50000 -1.0 2.0
   60    65    64    68   1.10000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   55    68    72    73   1.10000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   73    70    75    56   1.10000 -1.0 2.0
   54    59    56    75   1.10000 -1.0 2.0
   66    63    62    59  10.50000 -1.0 2.0
   67    62    66    70   1.00000 -1.0 2.0
   75    66    70    71  10.50000 -1.0 2.0
END
