* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    137    219     397
    1     0 S   NP   _N1_     1    29.70010    97.61321   -16.45963
    2     1 S   H    _HN1     2     1.02777    72.31687  -121.92949
    3     1 S   H    _H1_     3     1.02958    65.33956    -1.28831
    4     1 S   H    _H2_     4     1.02835    68.99301   120.17605
    5     1 S   CT   _CA1     5     1.50114   174.91751    32.18027
    6     5 S   HC   _HA1     6     1.09574   105.23493   145.22588
    7     5 S   CO3  _C1_     7     1.53796   112.38213    25.00177
    8     7 S   O2Z  _O11     8     1.26362   115.00641   -44.07088
    9     7 S   O2Z  _O12     9     1.26238   114.93029   135.12390
   10     5 S   CT   _CB1    10     1.53103   107.43305   -96.85276
   11    10 S   HC   HB11    11     1.09824   109.36225   -50.72041
   12    10 S   HC   HB12    12     1.09817   110.41487    65.84617
   13    10 S   CT   _CG1    13     1.52997   112.64005  -171.81067
   14    13 S   HC   HG11    14     1.09605   110.45740   -63.52038
   15    13 S   HC   HG12    15     1.09653   109.96022    55.66235
   16    13 S   C    _CD1    16     1.51833   112.37277   176.04725
   17    16 S   O    _OE1    17     1.22729   123.30163    -2.00330
   18    16 S   N    _N2_    18     1.38501   111.57593   177.93797
   19    18 S   H    _HN2    19     1.01550   118.91997     5.48455
   20    18 S   CT1  _CA2    20     1.45906   123.19938   178.41687
   21    20 S   HC   _HA2    21     1.09699   109.15869    18.05425
   22    20 S   C    _C2_    22     1.52823   106.50302   -99.14608
   23    22 S   O    _O2_    23     1.23021   122.84810   -30.75295
   24    20 S   CT   _CB2    32     1.53156   111.91993   141.29124
   25    24 S   HC   HB21    33     1.09399   109.90628    55.42131
   26    24 S   HC   HB22    34     1.09475   110.08255   173.33208
   27    22 S   N    _N3_    24     1.38464   112.77463   151.72384
   28    27 S   H    _HN3    25     1.01662   120.36811    -0.58484
   29    24 S   S    _SG2    35     1.83215   110.63583   -67.64354
   30    27 S   CT   _CA3    26     1.45368   122.36508   178.85158
   31    30 S   HC   HA31    27     1.09569   107.41283   -64.72439
   32    30 S   HC   HA32    28     1.09576   107.97643    51.55959
   33    29 S   CT   _C5_    36     1.86334   101.74910   140.65979
   34    30 S   CO3  _C3_    29     1.52881   114.51220   173.63062
   35    34 S   O2Z  _O31    30     1.26310   116.14485    -1.06551
   36    34 S   O2Z  _O32    31     1.26467   114.37117   179.03450
   37    33 S   CM   _C10    37     1.54102   110.47787    53.94098
   38    33 S   CT   _C4_    72     1.54790   105.34967   172.52278
   39    38 S   HC   _H6_    73     1.09737   111.83678    63.93415
   40    38 S   HC   _H7_    74     1.09606   112.74511   -56.15938
   41    38 S   HC   _H8_    75     1.09669   111.02794  -176.71580
   42    37 S   N4   _N4_    38     1.36443   119.40645  -128.36966
   43    37 S   CMA  _C11    69     1.53355   120.63045    63.34138
   44    43 S   OM   _O34    70     1.26283   120.45938   -95.33346
   45    43 S   OM   _O35    71     1.26394   120.89087    86.42713
   46    42 S   C4   _C9_    39     1.35299   136.52974  -164.08332
   47    46 S   O    _O33    40     1.20915   134.86050    -7.50357
   48    42 S   C4T  _C7_    43     1.44843   126.46335    13.26477
   49    48 S   HC   _H3_    44     1.09726   112.40002    78.16215
   50    46 S   C4T  _C8_    41     1.55649    89.91409   168.61232
   51    50 S   HC   _H4_    42     1.09635   112.24836   122.52502
   52    48 S   S    _S1_    45     1.81200   109.63799   -49.58271
   53    33 S   CT   _C6_    46     1.56029   106.58062   -73.92228
   54    53 S   HC   _H9_    47     1.09633   111.42875   -76.56412
   55    53 S   HC   _H10    48     1.09485   112.21020    42.13636
   56    50 S   N    _N5_    49     1.47900   113.49317  -109.35319
   57    56 S   H    _H11    50     1.01731   118.95555    14.30498
   58    56 S   C    _C12    51     1.38961   122.56653  -169.25624
   59    58 S   O    _O36    52     1.22964   123.94508     2.54584
   60    58 S   CT1  _C13    53     1.52987   112.40824  -176.28395
   61    60 S   HC   _H5_    54     1.09739   108.36553   -36.28487
   62    60 S   CA   _C14    55     1.51519   110.60561    84.17832
   63    60 S   NT   _N6_    66     1.46689   108.76448  -152.26643
   64    63 S   H    _H17    67     1.01928   109.36663   175.09384
   65    63 S   H    _H18    68     1.01933   109.51490    59.06862
   66    62 S   CA   _C15    56     1.40307   119.94979  -111.83013
   67    66 S   HA   _H12    57     1.08734   120.50363    -1.04885
   68    66 S   CA   _C16    58     1.39618   120.61326   178.60352
   69    68 S   HA   _H13    59     1.08631   119.91586  -179.88809
   70    68 S   CA   _C17    60     1.39317   120.11423    -0.10087
   71    70 S   HA   _H14    61     1.08609   120.04270  -179.89165
   72    70 S   CA   _C18    62     1.39300   119.91874    -0.05595
   73    72 S   HA   _H15    63     1.08624   120.01282  -179.76427
   74    62 S   CA   _C19    64     1.40429   121.38970    66.43824
   75    74 S   HA   _H16    65     1.08762   120.37832     1.05758
  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  12   5   4   3
  15   2   1   1  17   9   3   2   1  12   5   1   1   9   4  10
   5   8   4   4   2   1   1   7   3   9   4  11   6  12   4   1
   1   8   4   6   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    52    53    54    55    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    48    52    53    54    55    43    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    46    47    50    48    49    52    53    54    55    43    44    45    38    39    40    41  
   39    40    41    42    43    52    53    54    55  
   40    41    53  
   41    53  
   53  
   46    47    50    51    48    49    52    53    56    43    44    45  
   44    45    46    48    53  
   45  
    0  
   47    50    51    48    49    52    56    57    58  
   50    51    48    56  
   49    52    53    54    55    56    57    58    50    51  
   52    53    56    50    51  
   51    52    53    56    57    58    59    60  
   52    56    57    58  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60    61    62    66    74    63    64    65  
   60    61    62    63  
   61    62    66    67    68    72    74    75    63    64    65  
   62    66    74    63    64    65  
   66    67    68    69    70    72    73    74    75    63    64    65  
   64    65    66    74  
   65  
    0  
   67    68    69    70    71    72    74    75  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    53   268.000  1.529
   33    38   268.000  1.529
   37    42   400.000  1.384
   37    43   465.000  1.376
   42    46   440.000  1.369
   42    48   305.000  1.456
   46    47   930.000  1.212
   46    50   250.000  1.540
   50    51   340.000  1.090
   50    48   268.000  1.529
   50    56   337.000  1.449
   48    49   340.000  1.090
   48    52   200.000  1.824
   52    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   56    57   434.000  1.010
   56    58   490.000  1.335
   58    59   570.000  1.229
   58    60   317.000  1.522
   60    61   340.000  1.090
   60    62   275.000  1.474
   60    63   305.000  1.457
   62    66   469.000  1.400
   62    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   63    64   434.000  1.010
   63    65   434.000  1.010
   43    44   745.000  1.250
   43    45   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  113.82800
   33    37    43    70.00000  124.00000
   33    53    52    75.00000  111.63000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    50.00000  132.10000
   37    42    48    50.00000  132.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  137.10300
   42    46    47    75.00000  131.60000
   42    46    50    95.00000   92.72400
   42    48    50   105.00000   87.49700
   42    48    49    50.00000  112.01000
   42    48    52    80.00000  108.62000
   46    50    51    40.00000  113.37500
   46    50    48   100.00000   86.36000
   46    50    56    75.00000  110.24000
   50    46    47    60.00000  136.58000
   50    48    49    37.50000  110.70000
   50    48    52    65.00000  119.05700
   50    56    57    38.00000  118.40000
   50    56    58    50.00000  121.90000
   48    42    46   100.00000   93.00000
   48    50    51    37.50000  110.70000
   48    52    53    85.00000   99.86700
   52    48    49    45.00000  109.41400
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   53    33    37    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    50    51    50.00000  112.01000
   56    50    48    80.00000  110.05700
   56    58    59    80.00000  122.90000
   56    58    60    70.00000  116.60000
   58    56    57    35.00000  119.80000
   58    60    61    35.00000  109.50000
   58    60    62    70.00000  102.60000
   58    60    63    75.00000  111.54000
   60    58    59    80.00000  120.40000
   60    62    66    60.00000  125.54000
   60    62    74    60.00000  125.54000
   60    63    64    50.00000  111.55300
   60    63    65    50.00000  111.55300
   62    60    61    45.00000  110.88000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   62    74    72    63.00000  120.00000
   62    74    75    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   74    62    66    63.00000  120.00000
   74    72    73    35.00000  120.00000
   63    60    61    50.00000  109.55000
   63    60    62    75.00000  112.33000
   65    63    64    43.60000  106.40000
   43    37    42    75.00000  120.83300
   45    43    44    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    53    52   0.56750  1.0 1.0
   29    33    53    52  -0.07550 -1.0 2.0
   29    33    53    52   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  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    41   0.15000  1.0 3.0
   33    37    42    46   0.00000  1.0 1.0
   33    37    42    48   0.00000  1.0 1.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   37    33    53    52   0.56750  1.0 1.0
   37    33    53    52  -0.07550 -1.0 2.0
   37    33    53    52   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    47   3.00000 -1.0 2.0
   37    42    46    50   3.00000 -1.0 2.0
   37    42   -48    50   0.00000  1.0 1.0
   37    42    48    49   0.00000  1.0 1.0
   37    42   -48    52   0.00000  1.0 1.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    45   7.00000 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46   -50    48   3.00000 -1.0 2.0
   42    46    50    56   0.00000  1.0 1.0
   42    48    52    53   0.01700  1.0 1.0
   42    48    52    53  -0.23550 -1.0 2.0
   42    48    52    53   0.21350  1.0 3.0
   46    42   -48    50   0.00000  1.0 1.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    52   0.00000  1.0 1.0
   46    50   -48    42   3.00000 -1.0 2.0
   46    50   -48    49   0.15000  1.0 3.0
   46    50   -48    52   0.00000  1.0 1.0
   46    50    56    57   0.00000  1.0 1.0
   46    50    56    58  -0.42300  1.0 1.0
   46    50    56    58  -0.07000 -1.0 2.0
   46    50    56    58   0.04150  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    48  -0.11250  1.0 1.0
   47    46    50    48   0.11400 -1.0 2.0
   47    46    50    48  -0.28950  1.0 3.0
   47    46    50    56   0.30150 -1.0 2.0
   50    48    52    53   0.25150  1.0 1.0
   50    48    52    53  -1.17200 -1.0 2.0
   50    48    52    53   0.53050  1.0 3.0
   50    56    58    59   3.04450 -1.0 2.0
   50    56    58    60   1.15000  1.0 1.0
   50    56    58    60   3.04450 -1.0 2.0
   51    50   -48    42   0.15000  1.0 3.0
   51    50    48    49   0.15000  1.0 3.0
   51    50    48    52   0.00000  1.0 1.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   48    42   -46    47   3.00000 -1.0 2.0
   48    42   -46    50   3.00000 -1.0 2.0
   48    50    56    57   0.00000  1.0 1.0
   48    50    56    58  -0.43950  1.0 1.0
   48    50    56    58  -0.08100 -1.0 2.0
   48    50    56    58   0.03350  1.0 3.0
   48    52   -53    33  -0.25000 -1.0 2.0
   48    52   -53    33  -0.01800  1.0 3.0
   48    52    53    54   0.32350  1.0 3.0
   48    52    53    55   0.32350  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   53    33   -37    42  -0.93550  1.0 1.0
   53    33   -37    42   0.38900 -1.0 2.0
   53    33   -37    42   0.16950  1.0 3.0
   53    33    37    43   0.09850  1.0 1.0
   53    33    37    43   0.15250 -1.0 2.0
   53    33    37    43  -0.50650  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33    38    41   0.15000  1.0 3.0
   56    50   -48    42   2.20050  1.0 1.0
   56    50   -48    42   0.63450 -1.0 2.0
   56    50   -48    42  -0.91300  1.0 3.0
   56    50    48    49   0.15000  1.0 3.0
   56    50    48    52   0.00000  1.0 1.0
   56    58    60    61   0.00000  1.0 1.0
   56    58    60    62   0.00000  1.0 1.0
   56    58    60    63   0.00000  1.0 1.0
   57    56    58    59   2.45000 -1.0 2.0
   57    56    58    60   2.45000 -1.0 2.0
   58    60    62    66   0.04300 -1.0 2.0
   58    60    62    74   0.04300 -1.0 2.0
   58    60    63    64   0.21900  1.0 1.0
   58    60    63    64  -0.24900 -1.0 2.0
   58    60    63    64   0.15200  1.0 3.0
   58    60    63    65   0.21900  1.0 1.0
   58    60    63    65  -0.24900 -1.0 2.0
   58    60    63    65   0.15200  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.30150 -1.0 2.0
   59    58    60    63   0.30150 -1.0 2.0
   60    62    66    67   3.62500 -1.0 2.0
   60    62    66    68   3.62500 -1.0 2.0
   60    62    74    72   3.62500 -1.0 2.0
   60    62    74    75   3.62500 -1.0 2.0
   61    60    62    66   0.00000  1.0 1.0
   61    60    62    74   0.00000  1.0 1.0
   61    60    63    64   0.20000  1.0 3.0
   61    60    63    65   0.20000  1.0 3.0
   62    60    63    64   0.76500  1.0 1.0
   62    60    63    64   0.05700 -1.0 2.0
   62    60    63    64  -0.90900  1.0 3.0
   62    60    63    65   0.76500  1.0 1.0
   62    60    63    65   0.05700 -1.0 2.0
   62    60    63    65  -0.90900  1.0 3.0
   62    66    68    69   3.62500 -1.0 2.0
   62    66    68    70   3.62500 -1.0 2.0
   66    62    74    72   3.62500 -1.0 2.0
   66    62    74    75   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    62   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   73    72    74    62   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    62    66    67   3.62500 -1.0 2.0
   74    62   -66    68   3.62500 -1.0 2.0
   63    60    62    66   0.18550 -1.0 2.0
   63    60    62    66   0.14000  1.0 3.0
   63    60    62    74   0.18550 -1.0 2.0
   63    60    62    74   0.14000  1.0 3.0
   43    37    42    46   0.00000  1.0 1.0
   43    37    42    48   0.00000  1.0 1.0
   38    33    37    42  -0.93550  1.0 1.0
   38    33    37    42   0.38900 -1.0 2.0
   38    33    37    42   0.16950  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    53    52   0.44750  1.0 1.0
   38    33    53    52  -0.17800 -1.0 2.0
   38    33    53    52   0.20200  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    43   1.10000 -1.0 2.0
   48    46    42    37   1.00000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   57    58    56    50   1.00000 -1.0 2.0
   56    60    58    59  10.50000 -1.0 2.0
   66    74    62    60   4.00000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    62   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
END
