* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    119    186     351
    1     0 S   NP   _N1_     1    28.47773    93.16461   -20.87271
    2     1 S   H    _HN1     2     1.02975    97.91048     5.13542
    3     1 S   H    _H1_     3     1.02805    27.17368   117.52170
    4     1 S   H    _H2_     4     1.02816    87.43123  -102.61965
    5     1 S   CT   _CA1     5     1.50263   137.01480   136.71685
    6     5 S   HC   _HA1     6     1.09560   105.33233    49.83963
    7     5 S   CO3  _C1_     7     1.53743   112.39513   -70.59043
    8     7 S   O2Z  _O11     8     1.26372   115.03801   -43.54682
    9     7 S   O2Z  _O12     9     1.26246   114.91690   135.56173
   10     5 S   CT   _CB1    10     1.52855   107.07674   167.71218
   11    10 S   HC   HB11    11     1.09819   109.01836   -51.04797
   12    10 S   HC   HB12    12     1.09740   110.12431    65.24109
   13    10 S   CT   _CG1    13     1.53097   113.53893  -172.72773
   14    13 S   HC   HG11    14     1.09558   110.36794   -63.11915
   15    13 S   HC   HG12    15     1.09577   110.48991    56.53451
   16    13 S   C    _CD1    16     1.51698   110.95477   176.13700
   17    16 S   O    _OE1    17     1.22745   122.71681   -20.34998
   18    16 S   N    _N2_    18     1.38361   112.87526   161.05103
   19    18 S   H    _HN2    19     1.01541   119.52632     3.83900
   20    18 S   CT1  _CA2    20     1.45875   121.95148  -175.45895
   21    20 S   HC   _HA2    21     1.09464   108.72232    35.84354
   22    20 S   C    _C2_    22     1.52739   106.14927   -82.00085
   23    22 S   O    _O2_    23     1.22980   122.53424   -67.01331
   24    20 S   CT   _CB2    32     1.53040   112.02109   158.53732
   25    24 S   HC   HB21    33     1.09646   110.18634    54.48222
   26    24 S   HC   HB22    34     1.09574   111.11130   172.27844
   27    22 S   N    _N3_    24     1.38456   112.78914   110.14910
   28    27 S   H    _HN3    25     1.01671   120.19576    -0.69605
   29    24 S   S    _SG2    35     1.82805   113.04165   -64.72043
   30    27 S   CT   _CA3    26     1.45282   122.82614  -178.27819
   31    30 S   HC   HA31    27     1.09548   107.67219   -60.95894
   32    30 S   HC   HA32    28     1.09567   107.75776    55.39977
   33    29 S   CT   _C4_    36     1.83072   100.38858   -75.72730
   34    33 S   HC   _H7_    37     1.09472   106.49175  -119.72204
   35    33 S   HC   _H8_    38     1.09435   109.70673    -2.66961
   36    30 S   CO3  _C3_    29     1.52974   114.22887   177.32219
   37    36 S   O2Z  _O31    30     1.26383   116.16855     4.20184
   38    36 S   O2Z  _O32    31     1.26439   114.41027  -175.74011
   39    33 S   CT   _C5_    39     1.52806   111.10959   120.46638
   40    39 S   HC   _H3_    40     1.09787   111.05078    41.98374
   41    39 S   CT   _C6_    41     1.53268   114.09840   165.13099
   42    41 S   HC   _H4_    42     1.09459   111.10760   -84.78464
   43    41 S   CT   _C7_    43     1.51487   101.78981   153.18866
   44    43 S   HC   _H5_    44     1.09446   114.73211  -158.79403
   45    41 S   OH   _O36    66     1.42298   111.05457    36.35868
   46    45 S   HO   _H16    67     0.97277   107.60246   178.14734
   47    43 S   CO   _C8_    45     1.52926   101.25760   -38.52830
   48    47 S   HC   _H6_    46     1.09706   109.15735   -81.97349
   49    43 S   OH   _O35    64     1.42701   109.37029    78.61335
   50    49 S   HO   _H15    65     0.97265   107.43621    67.68122
   51    39 S   OS   _O33    47     1.44180   110.02110   -75.89882
   52    47 S   NE   _N4_    48     1.44509   111.77865   154.46387
   53    52 S   H    _H9_    49     1.01293   115.89801   -37.14887
   54    52 S   CM   _C9_    50     1.39522   125.80031   155.95856
   55    54 S   CM   _C10    51     1.35977   118.63761   168.86755
   56    55 S   C    _C11    52     1.49563   118.23560  -177.29253
   57    56 S   O    _O34    53     1.22930   121.71686   176.46304
   58    55 S   NE   _N8_    61     1.37010   127.06795     1.22349
   59    58 S   H    _H13    62     1.00997   121.24677     1.38973
   60    58 S   H    _H14    63     1.01314   119.06853   178.55085
   61    56 S   N    _N5_    54     1.37086   114.93409    -2.37825
   62    61 S   H    _H10    55     1.01322   118.14049  -179.81337
   63    61 S   CDX  _C12    56     1.37449   122.99454     1.91295
   64    54 S   NI   _N6_    57     1.38688   119.45370   -10.59091
   65    63 S   NE   _N7_    58     1.36582   115.88343   178.42418
   66    65 S   H    _H11    59     1.01740   120.74514  -174.84018
   67    65 S   H    _H12    60     1.01231   122.22468    -1.04324
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1   9   5
   3   1   3   7   3  10   9   9   4   4   1   1   6   3   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    51    45  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    51    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    51    49    45    46  
   44    47    48    51    52    53    54    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    51  
    0  
   48    51    52    53    54    55    64    49    50  
   51    52    53    54    49  
   50    51    52  
    0  
   52    53    54  
   53    54    55    56    63    64    58  
   54    55    64  
   55    56    57    61    63    64    65    58    59    60  
   56    57    61    62    63    64    58    59    60  
   57    61    62    63    64    65    58    59    60  
   61    62    63    58  
   59    60    61    64  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   53   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   64   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   65   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   320.000  1.380
   47    52   320.000  1.442
   52    53   434.000  1.010
   52    54   425.000  1.378
   54    55   549.000  1.340
   54    64   405.000  1.380
   55    56   410.000  1.444
   55    58   425.000  1.378
   56    57   570.000  1.229
   56    61   490.000  1.335
   61    62   434.000  1.010
   61    63   400.000  1.380
   63    64   650.000  1.285
   63    65   445.000  1.380
   65    66   434.000  1.010
   65    67   434.000  1.010
   58    59   434.000  1.010
   58    60   434.000  1.010
   49    50   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    51    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    51    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    90.00000  108.56700
   43    47    52    85.00000  109.98000
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    52    53    50.00000  113.12000
   47    52    54    50.00000  121.00000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    47    48    35.00000  109.50000
   52    47    48    50.00000  108.16000
   52    47    51    95.00000  112.71300
   52    54    55    70.00000  124.03900
   52    54    64    85.00000  113.56000
   54    52    53    35.00000  114.50000
   54    55    56    70.00000  118.70000
   54    55    58    70.00000  124.03900
   54    64    63    70.00000  116.49400
   55    56    57    80.00000  125.30000
   55    56    61    80.00000  111.56200
   55    58    59    35.00000  114.50000
   55    58    60    35.00000  114.50000
   56    61    62    35.00000  119.80000
   56    61    63    70.00000  120.51600
   61    56    57    80.00000  122.90000
   61    63    64    80.00000  119.04400
   61    63    65    85.00000  111.44000
   63    61    62    45.00000  120.05200
   63    65    66    35.00000  119.50000
   63    65    67    35.00000  119.50000
   64    54    55    70.00000  120.83400
   65    63    64    75.00000  124.36500
   67    65    66    35.00000  109.00000
   58    55    56    70.00000  117.92000
   60    58    59    35.00000  109.00000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    51    47   0.06250  1.0 1.0
   33    39    51    47  -0.01100 -1.0 2.0
   33    39    51    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    51    47   0.37050  1.0 3.0
   41    39   -51    47   0.06250  1.0 1.0
   41    39   -51    47  -0.01100 -1.0 2.0
   41    39   -51    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   0.62750  1.0 1.0
   41    43   -47    51  -0.30950 -1.0 2.0
   41    43   -47    51   0.27300  1.0 3.0
   41    43    47    52   0.86200  1.0 1.0
   41    43    47    52   0.12850 -1.0 2.0
   41    43    47    52   0.15950  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47   -51    39   0.06250  1.0 1.0
   43    47   -51    39  -0.01100 -1.0 2.0
   43    47   -51    39   0.28050  1.0 3.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    54   0.25450  1.0 1.0
   43    47    52    54  -0.61700 -1.0 2.0
   43    47    52    54  -0.23550  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   44    43    47    52   0.22950  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    52    54    55  -0.54700  1.0 1.0
   47    52    54    55   1.23000 -1.0 2.0
   47    52    54    64   1.00000 -1.0 2.0
   48    47    51    39   0.37050  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    45   3.69350  1.0 1.0
   51    39    41    45  -1.82950 -1.0 2.0
   51    47    52    53  -1.49000  1.0 1.0
   51    47    52    53  -2.58450 -1.0 2.0
   51    47    52    54   0.75000  1.0 1.0
   51    47    52    54  -0.75000 -1.0 2.0
   52    47    51    39  -0.25000  1.0 1.0
   52    47    51    39  -0.75000 -1.0 2.0
   52    47    51    39   0.50000  1.0 3.0
   52    54    55    56   7.00000 -1.0 2.0
   52    54    55    58   7.00000 -1.0 2.0
   52    54    64    63   1.00000 -1.0 2.0
   53    52    54    55   1.00000 -1.0 2.0
   53    52    54    64   1.00000 -1.0 2.0
   54    55    56    57   1.00000 -1.0 2.0
   54    55    56    61   0.49500  1.0 1.0
   54    55    56    61   1.31600 -1.0 2.0
   54    55    56    61  -0.02300  1.0 3.0
   54    55    58    59   1.00000 -1.0 2.0
   54    55    58    60   1.00000 -1.0 2.0
   55    54    64    63   1.00000 -1.0 2.0
   55    56    61    62   2.56700 -1.0 2.0
   55    56   -61    63   2.45000 -1.0 2.0
   56    55    58    59   1.00000 -1.0 2.0
   56    55    58    60   1.00000 -1.0 2.0
   56    61    63    64  -0.56400  1.0 1.0
   56    61    63    64   0.77500 -1.0 2.0
   56    61    63    64   0.18700  1.0 3.0
   56    61    63    65  -0.56400  1.0 1.0
   56    61    63    65   0.77500 -1.0 2.0
   56    61    63    65   0.18700  1.0 3.0
   57    56    61    62   2.45000 -1.0 2.0
   57    56    61    63   2.67200 -1.0 2.0
   61    63   -64    54   6.00000 -1.0 2.0
   61    63    65    66   1.00000 -1.0 2.0
   61    63    65    67   1.00000 -1.0 2.0
   62    61    63    64   1.00000 -1.0 2.0
   62    61    63    65   1.00000 -1.0 2.0
   64    54   -55    56   7.00000 -1.0 2.0
   64    54    55    58   7.00000 -1.0 2.0
   64    63    65    66   1.50000 -1.0 2.0
   64    63    65    67   1.50000 -1.0 2.0
   65    63    64    54   6.00000 -1.0 2.0
   58    55    56    57  -0.52200  1.0 1.0
   58    55    56    57   0.82950 -1.0 2.0
   58    55    56    61   1.50000 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   3.69350  1.0 1.0
   49    43    47    51  -1.82950 -1.0 2.0
   49    43    47    52   4.07950  1.0 1.0
   49    43    47    52  -0.26450 -1.0 2.0
   49    43    47    52  -0.12150  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   53    54    52    47   1.00000 -1.0 2.0
   52    64    54    55   1.10000 -1.0 2.0
   56    58    55    54   1.10000 -1.0 2.0
   55    61    56    57  10.50000 -1.0 2.0
   62    56    61    63   1.00000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
   67    63    65    66   1.00000 -1.0 2.0
   60    55    58    59   1.00000 -1.0 2.0
END
