* LIGAND DATABASE FILE (OPLS2005)
*
001      67    70    123    199     360
    1     0 S   NP   _N1_     1    28.72107    95.64697   -24.65761
    2     1 S   H    _HN1     2     1.02949    77.08900     6.13399
    3     1 S   H    _H1_     3     1.02827    30.61651   174.33168
    4     1 S   H    _H2_     4     1.02789   112.65481   -98.62524
    5     1 S   CT   _CA1     5     1.50120   128.76831   112.07197
    6     5 S   HC   _HA1     6     1.09572   105.18006    88.07090
    7     5 S   CO3  _C1_     7     1.53785   112.48547   -32.15633
    8     7 S   O2Z  _O11     8     1.26376   115.00302   -41.88517
    9     7 S   O2Z  _O12     9     1.26240   114.95074   137.21297
   10     5 S   CT   _CB1    10     1.53073   107.41560  -153.93078
   11    10 S   HC   HB11    11     1.09836   109.36924   -49.40474
   12    10 S   HC   HB12    12     1.09812   110.45015    67.20652
   13    10 S   CT   _CG1    13     1.52997   112.61506  -170.35875
   14    13 S   HC   HG11    14     1.09576   110.67466   -66.26680
   15    13 S   HC   HG12    15     1.09671   109.74566    52.97136
   16    13 S   C    _CD1    16     1.51802   112.15262   173.44976
   17    16 S   O    _OE1    17     1.22738   123.25882     9.19706
   18    16 S   N    _N2_    18     1.38653   111.72775  -170.90793
   19    18 S   H    _HN2    19     1.01578   118.93859     1.55784
   20    18 S   CT1  _CA2    20     1.46198   123.39267   177.17333
   21    20 S   HC   _HA2    21     1.09735   109.34520     5.15678
   22    20 S   C    _C2_    22     1.53597   108.68567  -110.37687
   23    22 S   O    _O2_    23     1.23071   122.24181  -147.77241
   24    20 S   CT   _CB2    32     1.53348   111.61874   127.18278
   25    24 S   HC   HB21    33     1.09519   109.86603    56.54307
   26    24 S   HC   HB22    34     1.09515   110.12418   175.62145
   27    22 S   N    _N3_    24     1.38314   113.78271    39.64870
   28    27 S   H    _HN3    25     1.01568   119.61948    -3.14995
   29    24 S   S    _SG2    35     1.82669   111.55886   -64.42308
   30    27 S   CT   _CA3    26     1.45288   123.24274   177.21210
   31    30 S   HC   HA31    27     1.09548   107.50305   -64.94410
   32    30 S   HC   HA32    28     1.09556   107.99984    51.50496
   33    29 S   CT   _C19    36     1.84046    99.80679  -172.05908
   34    33 S   HC   _H3_    37     1.09811   106.48114    57.61549
   35    30 S   CO3  _C3_    29     1.52969   114.06319   173.51762
   36    35 S   O2Z  _O31    30     1.26379   116.07320    -0.36637
   37    35 S   O2Z  _O32    31     1.26426   114.41479   179.69226
   38    33 S   CM   _C18    38     1.51293   108.84859   171.22815
   39    38 S   HC   _H14    39     1.08869   117.81416   -30.41969
   40    33 S   CT   _C20    49     1.54593   113.63156   -62.35329
   41    40 S   HC   _H4_    50     1.09642   109.15482    73.83920
   42    38 S   CM   _C17    40     1.34627   122.90166   154.34612
   43    40 S   OH   _O34    51     1.43079   110.71953   -44.21058
   44    43 S   HO   _H15    52     0.97189   108.96872  -153.36740
   45    42 S   CR3  _C12    41     1.48184   119.00972    -0.90784
   46    42 S   CM   _C16    61     1.45261   121.48517   174.89662
   47    46 S   HC   _H13    62     1.08560   119.16215     8.10036
   48    45 S   CR3  _C13    42     1.41576   117.93643   169.28120
   49    48 S   CA   _C8_    43     1.41188   118.63906  -177.30369
   50    49 S   CA   _C9_    44     1.40433   119.67327    -1.14722
   51    50 S   HA   _H10    45     1.08837   120.42034  -179.63523
   52    49 S   CA   _C7_    53     1.40000   119.17931   179.24463
   53    52 S   HA   _H9_    54     1.08849   120.43267  -179.71469
   54    50 S   CA   _C10    46     1.39547   120.93235    -0.88514
   55    54 S   HA   _H11    47     1.08713   119.26808  -177.91982
   56    52 S   CA   _C6_    55     1.39710   121.01214     0.54608
   57    56 S   HA   _H8_    56     1.08578   117.39970   179.93744
   58    45 S   CA   _C11    48     1.40450   120.86144   -10.76172
   59    56 S   CA   _C5_    57     1.39789   120.67580     0.31279
   60    48 S   CA   _C14    58     1.42274   121.67410     3.18862
   61    59 S   OS   _O33    63     1.37289   124.12687   179.51786
   62    60 S   CM   _C15    59     1.48279   118.43287     1.59594
   63    62 S   HC   _H12    60     1.08459   118.90953   177.16462
   64    61 S   CT   _C4_    64     1.42236   117.57487     0.01978
   65    64 S   HC   _H5_    65     1.09430   107.72149  -180.00000
   66    64 S   HC   _H6_    66     1.09492   111.14434    62.32111
   67    64 S   HC   _H7_    67     1.09492   111.14543   -62.29938
  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   9   5   4   3
  12   7   2   1   1  11   4  10   5  10   4   1  12   7   3  13
  12   8   4   7   3   2   1   6   3   1   8   4   5   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    58    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    54    58    40    41    43    44    46  
   38    39    42    58    40    41    43  
   36    37  
   37  
    0  
   39    42    45    48    58    40    41    43    62    46    47  
   42    45    40    46  
   41    43    44    42    45    48    50    54    55    58  
   43    44    45    54    58  
   45    48    49    54    58    60    62    63    46    47  
   44    45    54    58  
   58  
   48    49    50    54    55    58    52    59    60    62    46    47  
   47    48    58    59    60    62    63  
   60    62    63  
   49    50    51    54    58    52    53    56    59    60    62    63    61  
   50    51    54    55    58    52    53    56    57    59    60    62  
   51    54    55    58    52    53    56    60  
   54    55    58    52  
   53    56    57    59    60    61    54  
   56    57    59  
   55    58  
   58  
   57    59    60    62    61    64  
   59    60    61  
   60  
   60    62    63    61    64    65    66    67  
   62    63    61    64  
   64    65    66    67    62  
   63  
    0  
   65    66    67  
   66    67  
   67  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    45   320.000  1.460
   42    46   380.000  1.444
   45    48   490.000  1.398
   45    58   490.000  1.398
   48    49   490.000  1.398
   48    60   490.000  1.398
   49    50   469.000  1.400
   49    52   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    40   317.000  1.510
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    62   320.000  1.460
   62    63   340.000  1.080
   62    46   549.000  1.340
   46    47   340.000  1.080
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    58    70.00000  112.17500
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    45    60.00000  123.20500
   38    42    46    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    45    48    60.00000  120.93500
   42    45    58    60.00000  120.93500
   42    46    62    70.00000  123.01800
   42    46    47    35.00000  120.00000
   45    48    49    60.00000  130.80000
   45    48    60    60.00000  130.80000
   45    58    54    70.00000  112.88000
   45    58    40    80.00000  105.07000
   48    49    50    70.00000  112.88000
   48    49    52    70.00000  112.88000
   48    60    59    70.00000  112.88000
   48    60    62    60.00000  120.93500
   49    50    51    35.00000  120.00000
   49    50    54    63.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    40    70.00000  120.00000
   58    45    48    60.00000  130.80000
   58    54    55    35.00000  120.00000
   58    40    41    35.00000  109.50000
   58    40    43    90.00000  112.51600
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   52    49    50    63.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    59    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    59    60    63.00000  120.00000
   56    59    61    70.00000  120.00000
   59    56    57    35.00000  120.00000
   59    60    62    60.00000  120.93500
   59    61    64    75.00000  111.00000
   60    48    49    60.00000  130.80000
   60    62    63    40.00000  117.26300
   60    62    46    60.00000  123.20500
   62    46    47    35.00000  120.00000
   46    42    45    60.00000  123.20500
   46    62    63    35.00000  120.00000
   61    59    60    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    58   0.56750  1.0 1.0
   29    33    40    58  -0.07550 -1.0 2.0
   29    33    40    58   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    45   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    58   0.43200  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    58   0.21200  1.0 1.0
   38    33    40    58   0.16900 -1.0 2.0
   38    33    40    58  -1.15100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   1.05650  1.0 1.0
   38    33    40    43   0.15600 -1.0 2.0
   38    33    40    43   0.53150  1.0 3.0
   38    42    45    48   0.15800  1.0 1.0
   38    42    45    48   1.85350 -1.0 2.0
   38    42    45    48  -0.48700  1.0 3.0
   38    42   -45    58   0.15800  1.0 1.0
   38    42   -45    58   1.85350 -1.0 2.0
   38    42   -45    58  -0.48700  1.0 3.0
   38    42    46    62   0.28850  1.0 1.0
   38    42    46    62   2.61350 -1.0 2.0
   38    42    46    62   0.78400  1.0 3.0
   38    42    46    47  -0.18600  1.0 3.0
   39    38    42    45   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    45    48    49   3.62500 -1.0 2.0
   42    45    48    60   3.62500 -1.0 2.0
   42    45    58    54   3.62500 -1.0 2.0
   42    45    58    40   3.62500 -1.0 2.0
   45    42    46    62  -0.18600  1.0 3.0
   45    42    46    47   0.00000  1.0 1.0
   45    48    49    50   3.62500 -1.0 2.0
   45    48    49    52   3.62500 -1.0 2.0
   45    48    60    59   3.62500 -1.0 2.0
   45    48   -60    62   3.62500 -1.0 2.0
   45    58   -40    33   0.04150 -1.0 2.0
   45    58    40    41   0.00000  1.0 1.0
   45    58    40    43   0.14300 -1.0 2.0
   45    58    40    43   0.00300  1.0 3.0
   48    45    58    54   3.62500 -1.0 2.0
   48    45    58    40   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49   -50    54   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    49    52    56   3.62500 -1.0 2.0
   48    60    62    63   0.56550  1.0 3.0
   48    60    62    46   0.15800  1.0 1.0
   48    60    62    46   1.85350 -1.0 2.0
   48    60    62    46  -0.48700  1.0 3.0
   49    48    60    59   3.62500 -1.0 2.0
   49    48    60    62   3.62500 -1.0 2.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    58   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52   -56    59   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    56   3.62500 -1.0 2.0
   50    54   -58    45   3.62500 -1.0 2.0
   50    54    58    40   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    58    40    33   0.04150 -1.0 2.0
   54    58    40    41   0.00000  1.0 1.0
   54    58    40    43   0.14300 -1.0 2.0
   54    58    40    43   0.00300  1.0 3.0
   55    54    58    45   3.62500 -1.0 2.0
   55    54    58    40   3.62500 -1.0 2.0
   58    45   -48    49   3.62500 -1.0 2.0
   58    45    48    60   3.62500 -1.0 2.0
   58    40    43    44   0.31900  1.0 1.0
   58    40    43    44  -0.11800 -1.0 2.0
   58    40    43    44   0.38750  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    42   0.09850  1.0 1.0
   40    33   -38    42   0.15250 -1.0 2.0
   40    33   -38    42  -0.50650  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    54   3.62500 -1.0 2.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    59    61   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   56    59   -60    48   3.62500 -1.0 2.0
   56    59    60    62   3.62500 -1.0 2.0
   56    59    61    64   1.63200 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    61   3.62500 -1.0 2.0
   59    60    62    63   0.56550  1.0 3.0
   59    60    62    46   0.15800  1.0 1.0
   59    60    62    46   1.85350 -1.0 2.0
   59    60    62    46  -0.48700  1.0 3.0
   59    61    64    65   0.08050  1.0 3.0
   59    61    64    66   0.08050  1.0 3.0
   59    61    64    67   0.08050  1.0 3.0
   60    48    49    50   3.62500 -1.0 2.0
   60    48   -49    52   3.62500 -1.0 2.0
   60    59    61    64   1.63200 -1.0 2.0
   60    62   -46    42   7.00000 -1.0 2.0
   60    62    46    47   7.00000 -1.0 2.0
   63    62    46    42   7.00000 -1.0 2.0
   63    62    46    47   7.00000 -1.0 2.0
   46    42   -45    48   0.15800  1.0 1.0
   46    42   -45    48   1.85350 -1.0 2.0
   46    42   -45    48  -0.48700  1.0 3.0
   46    42    45    58   0.15800  1.0 1.0
   46    42    45    58   1.85350 -1.0 2.0
   46    42    45    58  -0.48700  1.0 3.0
   61    59    60    48   3.62500 -1.0 2.0
   61    59    60    62   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   45    46    42    38   1.10000 -1.0 2.0
   48    58    45    42   4.00000 -1.0 2.0
   49    60    48    45   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   54    51    50    49   1.10000 -1.0 2.0
   58    55    54    50   1.10000 -1.0 2.0
   54    40    58    45   4.00000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   59    57    56    52   1.10000 -1.0 2.0
   60    61    59    56   4.00000 -1.0 2.0
   59    62    60    48   4.00000 -1.0 2.0
   60    63    62    46   1.10000 -1.0 2.0
   42    47    46    62   1.10000 -1.0 2.0
END
