* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    122    191     359
    1     0 S   NP   _N1_     1    28.66809    96.11968   -23.52891
    2     1 S   H    _HN1     2     1.02829    34.33284   165.35150
    3     1 S   H    _H1_     3     1.02786   105.41785   -95.38236
    4     1 S   H    _H2_     4     1.02948    75.77929    10.12077
    5     1 S   CT   _CA1     5     1.50109   136.66565   114.93538
    6     5 S   HC   _HA1     6     1.09571   105.19978    86.94541
    7     5 S   CO3  _C1_     7     1.53790   112.47336   -33.31472
    8     7 S   O2Z  _O11     8     1.26373   115.00581   -42.30437
    9     7 S   O2Z  _O12     9     1.26238   114.95135   136.85272
   10     5 S   CT   _CB1    10     1.53080   107.42911  -155.04104
   11    10 S   HC   HB11    11     1.09833   109.39860   -49.50497
   12    10 S   HC   HB12    12     1.09813   110.43685    67.11238
   13    10 S   CT   _CG1    13     1.52992   112.59807  -170.46900
   14    13 S   HC   HG11    14     1.09580   110.64400   -65.41842
   15    13 S   HC   HG12    15     1.09669   109.77912    53.81772
   16    13 S   C    _CD1    16     1.51793   112.21389   174.30584
   17    16 S   O    _OE1    17     1.22729   123.27322     7.40555
   18    16 S   N    _N2_    18     1.38656   111.67943  -172.75857
   19    18 S   H    _HN2    19     1.01575   118.94466     1.84090
   20    18 S   CT1  _CA2    20     1.46203   123.37675   177.65523
   21    20 S   HC   _HA2    21     1.09740   109.38120     2.84689
   22    20 S   C    _C2_    22     1.53559   108.50530  -112.63422
   23    22 S   O    _O2_    23     1.23056   122.31982  -147.03200
   24    20 S   CT   _CB2    32     1.53463   111.70922   124.84522
   25    24 S   HC   HB21    33     1.09533   109.69372    56.30738
   26    24 S   HC   HB22    34     1.09350   109.65305   174.97566
   27    22 S   N    _N3_    24     1.38337   113.67738    40.31963
   28    27 S   H    _HN3    25     1.01584   119.59632    -3.14560
   29    24 S   S    _SG2    35     1.83118   111.15272   -63.74878
   30    27 S   CT   _CA3    26     1.45289   123.21362   177.19258
   31    30 S   HC   HA31    27     1.09549   107.49152   -65.01698
   32    30 S   HC   HA32    28     1.09556   108.00491    51.42254
   33    29 S   CT   _C17    36     1.86735   102.60826  -161.06316
   34    30 S   CO3  _C3_    29     1.52962   114.08517   173.43284
   35    34 S   O2Z  _O31    30     1.26376   116.07590    -0.79328
   36    34 S   O2Z  _O32    31     1.26431   114.41160   179.27422
   37    33 S   CO4  _C12    37     1.53810   109.05993    61.09477
   38    37 S   O    _O17    38     1.23024   123.96758    26.50250
   39    33 S   CT   _C19    52     1.58870   110.86590  -179.10606
   40    39 S   HC   _H35    53     1.10071   105.89843   179.92598
   41    37 S   CM   _C10    39     1.48671   117.80978  -157.61437
   42    41 S   HC   _H26    40     1.08509   116.57831  -167.34089
   43    39 S   CA   _C9_    54     1.53348   115.09125   -65.62533
   44    39 S   CM   _C15    65     1.52156   113.92753    65.09066
   45    44 S   HC   _H29    66     1.08741   118.18539   -60.90518
   46    41 S   CM   _C11    41     1.33748   122.36432     9.92206
   47    43 S   CA   _C7_    55     1.40417   122.67060    84.20830
   48    47 S   HA   _H24    56     1.08662   120.99727     0.44937
   49    44 S   CM   _C14    67     1.33930   124.08669   118.51096
   50    49 S   HC   _H27    68     1.08486   120.41230  -179.70993
   51    49 S   HC   _H28    69     1.08452   121.77883     0.26980
   52    46 S   CO4  _C13    42     1.49106   120.22025     7.36181
   53    52 S   O    _O18    43     1.22904   120.97082  -175.87650
   54    46 S   OS   _O19    47     1.38137   121.01892  -178.09546
   55    47 S   CA   _C5_    57     1.39728   120.88975  -179.67016
   56    55 S   HA   _H22    58     1.08641   119.83843   179.86012
   57    33 S   CT   _C16    44     1.54213   108.58396   -56.52762
   58    57 S   HC   _H30    45     1.09590   112.37949    53.84305
   59    57 S   HC   _H31    46     1.09568   111.56896   -66.66515
   60    54 S   CT   _C18    48     1.42656   110.57952   101.25191
   61    60 S   HC   _H32    49     1.09396   107.91275  -178.16123
   62    60 S   HC   _H33    50     1.09474   111.45337    63.31113
   63    60 S   HC   _H34    51     1.09568   110.93398   -59.87660
   64    55 S   CA   _C4_    59     1.39211   120.20504    -0.16071
   65    64 S   HA   _H21    60     1.08599   120.08980   179.96044
   66    64 S   CA   _C6_    61     1.39169   119.79449    -0.12195
   67    66 S   HA   _H23    62     1.08623   120.00467  -179.90309
   68    43 S   CA   _C8_    63     1.40677   119.30083   -95.89395
   69    68 S   HA   _H25    64     1.08752   120.48479    -0.21489
  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
  18   2   1   1  13   5  18   7   7   3  13   7   3  10   8   4
   2   1   1   6   4   5   6   3   2   1   1   3   2   1   1   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    57    58    59    39    40    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    52    53    57    58    59    39    40    43    47    68    44    45    49  
   35    36  
   36  
    0  
   38    41    42    46    52    57    58    59    54    39    40    43    44  
   41    42    46    57    39  
   40    43    47    48    55    66    68    69    44    45    49    50    51    41    52    57    58    59  
   43    47    68    44    45    49    57  
   42    46    52    53    57    54    60  
   46    52    54  
   47    48    55    56    64    66    67    68    69    44    45    49    57  
   45    49    50    51    47    57    68  
   49    50    51  
   52    53    57    58    59    54    60    61    62    63  
   48    55    56    64    65    66    68    69  
   55    56    64    68  
   50    51  
   51  
    0  
   53    57    58    59    54    60  
   57    58    59    54  
   60    61    62    63    57  
   56    64    65    66    67    68  
   64    65    66  
   58    59  
   59  
    0  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69  
   66    67    68  
   67    68    69  
   68    69  
   69  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
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  1.522
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    42   340.000  1.080
   41    46   549.000  1.340
   46    52   320.000  1.462
   46    54   440.000  1.360
   52    53   570.000  1.229
   52    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   54    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   317.000  1.510
   43    47   469.000  1.400
   43    68   469.000  1.400
   47    48   367.000  1.080
   47    55   469.000  1.400
   55    56   367.000  1.080
   55    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    51   340.000  1.080
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  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    57    52    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    70.00000  112.02700
   37    41    42    40.00000  117.72500
   37    41    46    65.00000  118.96000
   41    37    38    80.00000  123.72100
   41    46    52    65.00000  118.96000
   41    46    54    80.00000  120.01400
   46    41    42    35.00000  120.00000
   46    52    53    80.00000  123.72100
   46    52    57    65.00000  118.62400
   46    54    60    90.00000  111.18400
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   57    33    37    63.00000  111.10000
   57    52    53    80.00000  120.40000
   59    57    58    33.00000  107.80000
   54    46    52    85.00000  116.28000
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    57    58.35000  112.70000
   39    43    47    70.00000  120.00000
   39    43    68    70.00000  120.00000
   39    44    45    35.00000  117.00000
   39    44    49    70.00000  124.00000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  120.00000
   43    47    55    63.00000  120.00000
   43    68    66    63.00000  120.00000
   43    68    69    35.00000  120.00000
   47    55    56    35.00000  120.00000
   47    55    64    63.00000  120.00000
   55    47    48    35.00000  120.00000
   55    64    65    35.00000  120.00000
   55    64    66    63.00000  120.00000
   64    55    56    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   68    43    47    63.00000  120.00000
   68    66    67    35.00000  120.00000
   44    39    40    35.00000  109.50000
   44    39    43    70.00000  112.99600
   44    49    50    35.00000  120.00000
   44    49    51    35.00000  120.00000
   49    44    45    35.00000  120.00000
   51    49    50    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    57    52   0.56750  1.0 1.0
   29    33    57    52  -0.07550 -1.0 2.0
   29    33    57    52   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    39    40   0.15000  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
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    41    42   0.04550  1.0 1.0
   33    37    41    42   0.83000 -1.0 2.0
   33    37    41    42  -0.04000  1.0 3.0
   33    37    41    46  -0.33500  1.0 1.0
   33    37    41    46   1.06600 -1.0 2.0
   33    37    41    46  -0.14000  1.0 3.0
   33    39    43    47   0.04150 -1.0 2.0
   33    39    43    68   0.04150 -1.0 2.0
   33    39    44    45   0.00000  1.0 1.0
   33    39    44    49   0.09850  1.0 1.0
   33    39    44    49   0.15250 -1.0 2.0
   33    39    44    49  -0.50650  1.0 3.0
   37    33    57    52   0.11950  1.0 1.0
   37    33    57    52   0.20300 -1.0 2.0
   37    33    57    52  -0.70800  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    59  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    43   0.56750  1.0 1.0
   37    33    39    43  -0.07550 -1.0 2.0
   37    33    39    43   0.20000  1.0 3.0
   37    33    39    44  -0.98800  1.0 1.0
   37    33    39    44   0.48800 -1.0 2.0
   37    33    39    44   0.76800  1.0 3.0
   37    41   -46    52   7.00000 -1.0 2.0
   37    41    46    54   7.00000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    46   1.00000 -1.0 2.0
   41    46    52    53   1.00000 -1.0 2.0
   41    46    52    57  -0.33500  1.0 1.0
   41    46    52    57   1.06600 -1.0 2.0
   41    46    52    57  -0.14000  1.0 3.0
   41    46    54    60  -2.26850  1.0 1.0
   41    46    54    60   3.39050 -1.0 2.0
   42    41    46    52   7.00000 -1.0 2.0
   42    41    46    54   7.00000 -1.0 2.0
   46    52   -57    33   0.65300  1.0 1.0
   46    52   -57    33  -0.03850 -1.0 2.0
   46    52   -57    33   0.33900  1.0 3.0
   46    52    57    58   0.00000  1.0 1.0
   46    52    57    59   0.00000  1.0 1.0
   46    54    60    61   0.08050  1.0 3.0
   46    54    60    62   0.08050  1.0 3.0
   46    54    60    63   0.08050  1.0 3.0
   52    46    54    60   0.15100 -1.0 2.0
   53    52    57    33   0.30150 -1.0 2.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59   0.00000  1.0 1.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    41   0.65300  1.0 1.0
   57    33   -37    41  -0.03850 -1.0 2.0
   57    33   -37    41   0.33900  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    43  -0.03700  1.0 1.0
   57    33    39    43   0.37200 -1.0 2.0
   57    33    39    43  -0.47300  1.0 3.0
   57    33    39    44   0.34400  1.0 1.0
   57    33    39    44   0.09450 -1.0 2.0
   57    33    39    44   0.11100  1.0 3.0
   54    46    52    53  -0.11900  1.0 1.0
   54    46    52    53   0.76850 -1.0 2.0
   54    46    52    53   0.14100  1.0 3.0
   54    46    52    57   0.32450 -1.0 2.0
   54    46    52    57   0.17400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    57    52  -0.95700  1.0 1.0
   39    33    57    52  -0.18200 -1.0 2.0
   39    33    57    52   0.29450  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    59   0.15000  1.0 3.0
   39    43    47    48   3.62500 -1.0 2.0
   39    43    47    55   3.62500 -1.0 2.0
   39    43    68    66   3.62500 -1.0 2.0
   39    43    68    69   3.62500 -1.0 2.0
   39    44    49    50   7.00000 -1.0 2.0
   39    44    49    51   7.00000 -1.0 2.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    43    68   0.00000  1.0 1.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    49   0.00000  1.0 1.0
   43    39    44    45   0.00000  1.0 1.0
   43    39    44    49   1.44450  1.0 1.0
   43    39    44    49   0.06600 -1.0 2.0
   43    39    44    49   0.29250  1.0 3.0
   43    47    55    56   3.62500 -1.0 2.0
   43    47    55    64   3.62500 -1.0 2.0
   47    43    68    66   3.62500 -1.0 2.0
   47    43    68    69   3.62500 -1.0 2.0
   47    55    64    65   3.62500 -1.0 2.0
   47    55   -64    66   3.62500 -1.0 2.0
   48    47    55    56   3.62500 -1.0 2.0
   48    47    55    64   3.62500 -1.0 2.0
   55    64    66    67   3.62500 -1.0 2.0
   55    64    66    68   3.62500 -1.0 2.0
   56    55    64    65   3.62500 -1.0 2.0
   56    55    64    66   3.62500 -1.0 2.0
   64    66   -68    43   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   67    66    68    43   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   68    43    47    48   3.62500 -1.0 2.0
   68    43   -47    55   3.62500 -1.0 2.0
   44    39    43    47   0.18050 -1.0 2.0
   44    39    43    68   0.18050 -1.0 2.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    51   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    42    41    46   1.10000 -1.0 2.0
   52    54    46    41   1.10000 -1.0 2.0
   46    57    52    53  10.50000 -1.0 2.0
   47    68    43    39   4.00000 -1.0 2.0
   55    48    47    43   1.10000 -1.0 2.0
   64    56    55    47   1.10000 -1.0 2.0
   66    65    64    55   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    69    68    43   1.10000 -1.0 2.0
   39    45    44    49  15.00000 -1.0 2.0
   50    51    49    44  15.00000 -1.0 2.0
END
