* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    126    201     378
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02027   105.22664   -30.70896
    3     1 S   H    _H1_     3     1.02086    66.10144    73.34501
    4     1 S   H    _H2_     4     1.02171    46.55894  -132.24067
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C6_    36     1.85654    97.05594   161.82265
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C7_    37     1.50592   106.98438    40.05294
   38    37 S   HC   _H8_    38     1.08879   116.79870   -88.83407
   39    33 S   CT   _C5_    50     1.53356   113.26227   -84.05379
   40    39 S   HC   _H3_    51     1.09966   109.61818   173.00745
   41    37 S   CM   _C8_    39     1.34943   124.39225    91.49574
   42    39 S   CO3  _C17    52     1.52367   116.83992    53.22373
   43    42 S   O2Z  _O40    53     1.26212   115.27409   -58.03750
   44    42 S   O2Z  _O39    54     1.26335   114.81636   122.01104
   45    41 S   CMA  _C9_    40     1.48532   120.30648    -1.43926
   46    45 S   OM   _O36    41     1.26267   112.50317  -165.34207
   47    41 S   CT   _C14    60     1.51500   118.43716   178.30557
   48    47 S   HC   _H10    61     1.09010   107.33122    29.99204
   49    47 S   HC   _H11    62     1.09065   106.95543   145.69118
   50    45 S   CM   _C10    42     1.35379   118.60813    15.64024
   51    47 S   CT1  _C15    63     1.52560   112.20807   -92.45049
   52    51 S   HC   _H5_    64     1.09774   109.48928    40.05799
   53    33 S   CD   _C11    43     1.53140   106.17122   156.16325
   54    50 S   OH   _O35    58     1.38170   123.04057   176.83931
   55    54 S   HO   _H9_    59     0.96181   109.71395     0.07662
   56    51 S   CO3  _C16    65     1.53986   112.51290   -79.08419
   57    56 S   O2Z  _O38    66     1.26190   116.49759   -59.88238
   58    56 S   O2Z  _O37    67     1.26548   114.32650   120.44063
   59    51 S   NT   _N5_    68     1.44706   111.20835   157.06017
   60    59 S   H    _H12    69     1.00314   118.78587   -35.80333
   61    59 S   H    _H13    70     1.00367   118.71696   157.65192
   62    53 S   NI   _N4_    44     1.29110   124.17041    98.15143
   63    62 S   CT1  _C12    45     1.45553   122.51364     7.22607
   64    63 S   HC   _H4_    46     1.09493   108.99015   108.36681
   65    63 S   CT   _C4_    47     1.51691   115.47527   -16.39267
   66    65 S   HC   _H6_    48     1.09658   111.85801   -81.63452
   67    65 S   HC   _H7_    49     1.09882   108.78758   163.21972
   68    63 S   CO3  _C13    55     1.51416   105.93737  -135.12355
   69    68 S   O2Z  _O34    56     1.26175   115.29286    63.15800
   70    68 S   O2Z  _O33    57     1.26322   114.76637  -116.89428
  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  11   5   4   3
  18   2   1   1  15   5  14   8  12   7   2   1  10   4  11   5
   4   5   7   6   7   2   1   5   2   1   2   1   1   8   7   6
   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    53    62    65    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    45    50    53    62    63    65    66    67    39    40    42    43    44    54    47  
   35    36  
   36  
    0  
   38    41    45    46    50    53    62    65    39    40    42    47    48    49    51  
   41    45    53    39    47  
   40    42    43    44    68    41    50    53    62    63    64    65    66    67  
   42    43    44    53    63    65    66    67  
   45    46    50    53    54    47    48    49    51    52    56    59  
   43    44    53    63    65    66    67  
   44    65  
   65  
   46    50    53    62    54    55    47    48    49    51  
   50    53    54    47  
   48    49    51    52    56    57    58    59    60    61    50  
   49    51    52    56    59  
   51    52    56    59  
   53    62    63    54    55  
   52    56    57    58    59    60    61  
   56    57    58    59    60    61  
   62    63    64    65    68    54    55  
   55    62  
    0  
   57    58    59    60    61  
   58    59  
   59  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68    69    70  
   65    66    67    68    69    70  
   66    67    68    69    70  
   67    68  
   68  
   69    70  
   70  
    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   0.203600   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.555700   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   54   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   63   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   270.000  1.508
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    45   465.000  1.376
   41    47   317.000  1.510
   45    46   745.000  1.250
   45    50   465.000  1.376
   50    53   320.000  1.464
   50    54   510.000  1.338
   53    62   500.000  1.261
   62    63   315.000  1.431
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.522
   42    43   656.000  1.250
   42    44   656.000  1.250
   68    69   656.000  1.250
   68    70   656.000  1.250
   54    55   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    56   317.000  1.522
   51    59   305.000  1.457
   56    57   656.000  1.250
   56    58   656.000  1.250
   59    60   434.000  1.010
   59    61   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  114.43000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    53    50    65.00000  117.24000
   33    53    62    65.00000  122.10100
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    70.00000  109.69300
   37    41    45    70.00000  117.34000
   37    41    47    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    45    46    65.00000  137.10300
   41    45    50    70.00000  123.01800
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    51    70.00000  112.02700
   45    50    53    60.00000  120.31500
   45    50    54    80.00000  121.38400
   50    45    46    65.00000  137.10300
   50    53    62    70.00000  121.86000
   50    54    55    70.00000  107.45700
   53    33    37    70.00000  110.51600
   53    62    63    75.00000  114.96100
   62    63    64    45.00000  110.38000
   62    63    65    80.00000  110.18800
   62    63    68    80.00000  108.92000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    39    58.35000  112.70000
   63    68    69    70.00000  117.00000
   63    68    70    70.00000  117.00000
   65    63    64    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    42    70.00000  109.69300
   67    65    66    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    53    70.00000  111.76100
   39    65    66    37.50000  110.70000
   39    65    67    37.50000  110.70000
   39    42    43    70.00000  117.00000
   39    42    44    70.00000  117.00000
   42    39    40    35.00000  109.50000
   44    42    43    80.00000  126.00000
   68    63    64    35.00000  109.50000
   68    63    65    63.00000  111.10000
   70    68    69    80.00000  126.00000
   54    50    53    80.00000  121.38400
   47    41    45    70.00000  124.00000
   47    51    52    37.50000  110.70000
   47    51    56    63.00000  111.10000
   47    51    59    80.00000  111.22000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    56    57    70.00000  117.00000
   51    56    58    70.00000  117.00000
   51    59    60    50.00000  111.55300
   51    59    61    50.00000  111.55300
   56    51    52    35.00000  109.50000
   58    56    57    80.00000  126.00000
   59    51    52    50.00000  109.55000
   59    51    56    75.00000  111.54000
   61    59    60    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  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   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    53    50   0.42700  1.0 1.0
   29    33    53    50  -0.70350 -1.0 2.0
   29    33    53    50  -0.43150  1.0 3.0
   29    33    53    62   0.00000  1.0 1.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    53    62    63   6.00000 -1.0 2.0
   33    39    42    43   0.41150 -1.0 2.0
   33    39    42    44   0.41150 -1.0 2.0
   37    33    53    50  -0.28300  1.0 1.0
   37    33    53    50   0.26700 -1.0 2.0
   37    33    53    50  -0.63300  1.0 3.0
   37    33    53    62   0.00000  1.0 1.0
   37    33    39    65   0.34400  1.0 1.0
   37    33    39    65   0.09450 -1.0 2.0
   37    33    39    65   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41    45    46   7.00000 -1.0 2.0
   37    41   -45    50   7.00000 -1.0 2.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41    47    51   0.09850  1.0 1.0
   37    41    47    51   0.15250 -1.0 2.0
   37    41    47    51  -0.50650  1.0 3.0
   38    37    41    45   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    45    50    53   7.00000 -1.0 2.0
   41    45    50    54   7.00000 -1.0 2.0
   41    47    51    52   0.15000  1.0 3.0
   41    47    51    56  -0.98800  1.0 1.0
   41    47    51    56   0.48800 -1.0 2.0
   41    47    51    56   0.76800  1.0 3.0
   41    47    51    59   0.59950  1.0 1.0
   41    47    51    59  -0.21400 -1.0 2.0
   41    47    51    59   0.56200  1.0 3.0
   45    41    47    48   0.00000  1.0 1.0
   45    41    47    49   0.00000  1.0 1.0
   45    41    47    51   0.09850  1.0 1.0
   45    41    47    51   0.15250 -1.0 2.0
   45    41    47    51  -0.50650  1.0 3.0
   45    50   -53    33   0.69550 -1.0 2.0
   45    50    53    62   1.09650  1.0 1.0
   45    50    53    62   0.48950 -1.0 2.0
   45    50    53    62   0.49400  1.0 3.0
   45    50    54    55  -0.66100  1.0 1.0
   45    50    54    55   1.20850 -1.0 2.0
   45    50    54    55  -0.36000  1.0 3.0
   46    45    50    53   7.00000 -1.0 2.0
   46    45    50    54   7.00000 -1.0 2.0
   50    53    62    63   6.00000 -1.0 2.0
   53    33    37    38   0.00000  1.0 1.0
   53    33   -37    41  -0.28300  1.0 1.0
   53    33   -37    41   0.26700 -1.0 2.0
   53    33   -37    41  -0.63300  1.0 3.0
   53    33    39    65   0.34400  1.0 1.0
   53    33    39    65   0.09450 -1.0 2.0
   53    33    39    65   0.11100  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    42  -0.98800  1.0 1.0
   53    33    39    42   0.48800 -1.0 2.0
   53    33    39    42   0.76800  1.0 3.0
   53    50    54    55  -0.66100  1.0 1.0
   53    50    54    55   1.20850 -1.0 2.0
   53    50    54    55  -0.36000  1.0 3.0
   53    62    63    64  -0.15000  1.0 3.0
   53    62   -63    65  -0.12500  1.0 1.0
   53    62   -63    65  -0.12500 -1.0 2.0
   53    62   -63    65   0.25000  1.0 3.0
   53    62    63    68  -0.12500  1.0 1.0
   53    62    63    68  -0.12500 -1.0 2.0
   53    62    63    68   0.25000  1.0 3.0
   62    63    65    66   0.15000  1.0 3.0
   62    63    65    67   0.15000  1.0 3.0
   62    63    65    39   0.56750  1.0 1.0
   62    63    65    39  -0.07550 -1.0 2.0
   62    63    65    39   0.20000  1.0 3.0
   62    63    68    69   0.30150 -1.0 2.0
   62    63    68    70   0.30150 -1.0 2.0
   63    65   -39    33   0.56750  1.0 1.0
   63    65   -39    33  -0.07550 -1.0 2.0
   63    65   -39    33   0.20000  1.0 3.0
   63    65    39    40   0.15000  1.0 3.0
   63    65    39    42  -0.84850  1.0 1.0
   63    65    39    42  -0.22800 -1.0 2.0
   63    65    39    42   0.29250  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    39   0.15000  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    70   0.00000  1.0 1.0
   65    39    42    43   0.41150 -1.0 2.0
   65    39    42    44   0.41150 -1.0 2.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    42  -0.11250  1.0 3.0
   67    65    39    33   0.15000  1.0 3.0
   67    65    39    40   0.15000  1.0 3.0
   67    65    39    42  -0.11250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    53    50   0.09850  1.0 1.0
   39    33    53    50   0.15250 -1.0 2.0
   39    33    53    50  -0.50650  1.0 3.0
   39    33   -53    62   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   68    63    65    66  -0.03800  1.0 3.0
   68    63    65    67  -0.03800  1.0 3.0
   68    63    65    39  -0.84850  1.0 1.0
   68    63    65    39  -0.22800 -1.0 2.0
   68    63    65    39   0.29250  1.0 3.0
   54    50    53    33   7.00000 -1.0 2.0
   54    50    53    62   7.00000 -1.0 2.0
   47    41    45    46   7.00000 -1.0 2.0
   47    41    45    50   7.00000 -1.0 2.0
   47    51    56    57   0.00000  1.0 1.0
   47    51    56    58   0.00000  1.0 1.0
   47    51    59    60  -0.05950  1.0 1.0
   47    51    59    60   0.08850 -1.0 2.0
   47    51    59    60   0.11750  1.0 3.0
   47    51    59    61  -0.05950  1.0 1.0
   47    51    59    61   0.08850 -1.0 2.0
   47    51    59    61   0.11750  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    56  -0.03800  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    56  -0.03800  1.0 3.0
   49    47    51    59   0.15000  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   52    51    59    60   0.20000  1.0 3.0
   52    51    59    61   0.20000  1.0 3.0
   56    51    59    60   0.21900  1.0 1.0
   56    51    59    60  -0.24900 -1.0 2.0
   56    51    59    60   0.15200  1.0 3.0
   56    51    59    61   0.21900  1.0 1.0
   56    51    59    61  -0.24900 -1.0 2.0
   56    51    59    61   0.15200  1.0 3.0
   59    51    56    57   0.30150 -1.0 2.0
   59    51    56    58   0.30150 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   45    47    41    37   1.10000 -1.0 2.0
   41    46    45    50   1.10000 -1.0 2.0
   53    54    50    45   1.10000 -1.0 2.0
   33    50    53    62  10.50000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
   69    63    68    70  10.50000 -1.0 2.0
   57    51    56    58  10.50000 -1.0 2.0
END
