* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    142    222     423
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02086   106.05752   -24.92619
    3     1 S   H    _H1_     3     1.02135    62.53641    78.17183
    4     1 S   H    _H2_     4     1.02145    49.81823  -126.11147
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.85646    97.06451   180.00000
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   _C6_    37     1.51928   105.85045   -60.01424
   38    37 S   HC   _H23    38     1.09027   115.56310    93.70208
   39    33 S   CT   _C16    66     1.53896   106.13102   176.71419
   40    39 S   HC   _H36    67     1.09585   111.70432   -63.06903
   41    39 S   HC   _H37    68     1.09735   112.08835   177.01646
   42    39 S   HC   _H38    69     1.09619   111.56958    56.32064
   43    33 S   CT   _C17    70     1.54790   106.87496    58.32594
   44    43 S   HC   _H39    71     1.09819   110.31555   -74.95070
   45    43 S   HC   _H40    72     1.09827   109.48427    43.93162
   46    37 S   CM   _C5_    39     1.34284   127.07921   -87.11785
   47    46 S   HC   _H22    40     1.08597   120.47422     0.37168
   48    43 S   C    _C7_    73     1.51915   115.30537   164.47651
   49    48 S   O    _O17    74     1.22279   126.10244    32.63838
   50    46 S   CT   _C11    41     1.49686   123.67188  -179.51949
   51    48 S   OH   _O19    75     1.35983   111.18046  -148.13131
   52    51 S   HO   _H41    76     0.98152   115.07511  -179.24024
   53    50 S   CT   _C12    42     1.54109   115.78496   -89.97451
   54    50 S   OH   _O20    64     1.43546   105.13690    31.97615
   55    54 S   HO   _H42    65     0.96744   105.95539    60.08986
   56    53 S   CT   _C8_    43     1.54640   110.88256   -54.20383
   57    56 S   HC   _H24    44     1.09692   109.77469  -172.40043
   58    56 S   HC   _H25    45     1.09539   110.91005    68.80365
   59    53 S   CT   _C10    53     1.53818   100.38034  -170.00873
   60    59 S   HC   _H28    54     1.09473   113.27395   152.37570
   61    59 S   HC   _H29    55     1.09644   112.71534   -85.07844
   62    53 S   CT   _C14    60     1.53036   114.79626    70.65467
   63    62 S   HC   _H30    61     1.08757   109.69813    54.46665
   64    62 S   HC   _H31    62     1.08752   109.66676   -65.53580
   65    62 S   HC   _H32    63     1.08777   109.64878   174.48907
   66    56 S   CO4  _C4_    46     1.51666   113.21199   -52.25027
   67    66 S   O    _O16    47     1.23200   120.72088  -157.57603
   68    66 S   CT   _C9_    48     1.51678   118.39583    27.44943
   69    68 S   HC   _H26    49     1.09448   108.39852    96.92840
   70    68 S   HC   _H27    50     1.09714   106.50570  -146.79777
   71    50 S   CT   _C13    51     1.54379   117.15501   154.63736
   72    71 S   OS   _O18    52     1.45206   104.58691   167.30237
   73    71 S   CT   _C15    56     1.52733   114.69688   -74.16340
   74    73 S   HC   _H33    57     1.08921   109.78232   -52.42342
   75    73 S   HC   _H34    58     1.08820   109.81159  -172.41610
   76    73 S   HC   _H35    59     1.08938   109.81795    67.54651
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   7   4   3  12   4   3
   2  23   1   1  18   8   1  16   6   5  11   4   3   6   2   1
   1   7   4   8   4   3   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    50    39    40    41    42    43    44    45    48    49    51  
   35    36  
   36  
    0  
   38    46    47    50    53    71    54    39    40    41    42    43    44    45    48  
   46    47    50    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    51    52    46  
   45    48    49    51  
   48    49    51  
   47    50    53    56    68    71    72    59    73    62    54    55  
   50    53    71    54  
   49    51    52  
   51    52  
   53    56    57    58    66    68    69    70    71    72    59    60    61    73    74    75    76    62    63    64    65    54    55  
   52  
    0  
   56    57    58    66    67    68    71    72    59    60    61    73    62    63    64    65    54    55  
   55    56    59    62    68    71    72    73  
   71  
   57    58    66    67    68    69    70    71    72    59    60    61    62    63    64    65  
   58    66    67    68    59    62  
   66    67    68    59    62  
   60    61    73    62    63    64    65    66    68    71    72  
   61    62    71    72  
   62    71    72  
   63    64    65    66    71    72  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71    72    73    74    75    76  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    50   317.000  1.510
   50    53   268.000  1.529
   50    71   268.000  1.529
   50    54   320.000  1.410
   53    56   268.000  1.529
   53    59   268.000  1.529
   53    62   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    66   317.000  1.522
   66    67   570.000  1.229
   66    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   320.000  1.410
   71    73   268.000  1.529
   72    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    51   450.000  1.364
   51    52   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    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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    50    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    50    53    70.00000  112.02700
   46    50    71    70.00000  112.02700
   46    50    54    90.00000  110.39200
   50    46    47    35.00000  117.00000
   50    53    56    58.35000  112.70000
   50    53    59    58.35000  112.70000
   50    53    62    58.35000  112.70000
   50    71    68    58.35000  112.70000
   50    71    72    50.00000  109.50000
   50    71    73    58.35000  112.70000
   50    54    55    55.00000  108.50000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    66    63.00000  111.10000
   53    59    72    50.00000  109.50000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   56    66    67    80.00000  120.40000
   56    66    68    70.00000  116.00000
   58    56    57    33.00000  107.80000
   66    56    57    35.00000  109.50000
   66    56    58    35.00000  109.50000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    63.00000  111.10000
   68    66    67    80.00000  120.40000
   68    71    72    50.00000  109.50000
   68    71    73    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    50    53    58.35000  112.70000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    72    59    60.00000  109.50000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   72    59    60    35.00000  109.50000
   72    59    61    35.00000  109.50000
   59    53    56    58.35000  112.70000
   61    59    60    33.00000  107.80000
   73    71    72    50.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   62    53    56    58.35000  112.70000
   62    53    59    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    50    53    50.00000  109.50000
   54    50    71    50.00000  109.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    51    70.00000  108.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    51    52    35.00000  113.00000
   51    48    49   100.00000  123.32000
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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    50   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    51   0.50000  1.0 1.0
   33    43    48    51   0.27300 -1.0 2.0
   33    43    48    51   0.22500  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    50    53   0.09850  1.0 1.0
   37    46    50    53   0.15250 -1.0 2.0
   37    46    50    53  -0.50650  1.0 3.0
   37    46    50    71   0.09850  1.0 1.0
   37    46    50    71   0.15250 -1.0 2.0
   37    46    50    71  -0.50650  1.0 3.0
   37    46    50    54   0.67800  1.0 1.0
   37    46    50    54   0.47050 -1.0 2.0
   37    46    50    54  -0.62500  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    50   7.00000 -1.0 2.0
   46    50    53    56   0.34400  1.0 1.0
   46    50    53    56   0.09450 -1.0 2.0
   46    50    53    56   0.11100  1.0 3.0
   46    50    53    59   0.34400  1.0 1.0
   46    50    53    59   0.09450 -1.0 2.0
   46    50    53    59   0.11100  1.0 3.0
   46    50    53    62   0.34400  1.0 1.0
   46    50    53    62   0.09450 -1.0 2.0
   46    50    53    62   0.11100  1.0 3.0
   46    50    71    68   0.34400  1.0 1.0
   46    50    71    68   0.09450 -1.0 2.0
   46    50    71    68   0.11100  1.0 3.0
   46    50    71    72   0.61850  1.0 1.0
   46    50    71    72  -0.22750 -1.0 2.0
   46    50    71    72   0.15300  1.0 3.0
   46    50    71    73   0.34400  1.0 1.0
   46    50    71    73   0.09450 -1.0 2.0
   46    50    71    73   0.11100  1.0 3.0
   46    50    54    55  -0.07800  1.0 1.0
   46    50    54    55  -0.21500 -1.0 2.0
   46    50    54    55  -0.03150  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    50    71   0.00000  1.0 1.0
   47    46    50    54   0.00000  1.0 1.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    66  -0.95700  1.0 1.0
   50    53    56    66  -0.18200 -1.0 2.0
   50    53    56    66   0.29450  1.0 3.0
   50    53   -59    72   0.62750  1.0 1.0
   50    53   -59    72  -0.30950 -1.0 2.0
   50    53   -59    72   0.27300  1.0 3.0
   50    53    59    60   0.15000  1.0 3.0
   50    53    59    61   0.15000  1.0 3.0
   50    53    62    63   0.15000  1.0 3.0
   50    53    62    64   0.15000  1.0 3.0
   50    53    62    65   0.15000  1.0 3.0
   50    71   -72    59   0.06250  1.0 1.0
   50    71   -72    59  -0.01100 -1.0 2.0
   50    71   -72    59   0.28050  1.0 3.0
   50    71    73    74   0.15000  1.0 3.0
   50    71    73    75   0.15000  1.0 3.0
   50    71    73    76   0.15000  1.0 3.0
   53    50    71    68   0.56750  1.0 1.0
   53    50    71    68  -0.07550 -1.0 2.0
   53    50    71    68   0.20000  1.0 3.0
   53    50   -71    72   0.62750  1.0 1.0
   53    50   -71    72  -0.30950 -1.0 2.0
   53    50   -71    72   0.27300  1.0 3.0
   53    50    71    73   0.56750  1.0 1.0
   53    50    71    73  -0.07550 -1.0 2.0
   53    50    71    73   0.20000  1.0 3.0
   53    50    54    55  -0.11600  1.0 1.0
   53    50    54    55  -0.09450 -1.0 2.0
   53    50    54    55   0.21250  1.0 3.0
   53    56    66    67   0.30150 -1.0 2.0
   53    56   -66    68   0.60050  1.0 1.0
   53    56   -66    68   0.05600 -1.0 2.0
   53    56   -66    68   0.26150  1.0 3.0
   56    53    59    72   0.62750  1.0 1.0
   56    53    59    72  -0.30950 -1.0 2.0
   56    53    59    72   0.27300  1.0 3.0
   56    53    59    60   0.15000  1.0 3.0
   56    53    59    61   0.15000  1.0 3.0
   56    53    62    63   0.15000  1.0 3.0
   56    53    62    64   0.15000  1.0 3.0
   56    53    62    65   0.15000  1.0 3.0
   56    66    68    69   0.00000  1.0 1.0
   56    66    68    70   0.00000  1.0 1.0
   56    66    68    71   0.60050  1.0 1.0
   56    66    68    71   0.05600 -1.0 2.0
   56    66    68    71   0.26150  1.0 3.0
   57    56    66    67   0.00000  1.0 1.0
   57    56    66    68   0.00000  1.0 1.0
   58    56    66    67   0.00000  1.0 1.0
   58    56    66    68   0.00000  1.0 1.0
   66    68   -71    50  -0.95700  1.0 1.0
   66    68   -71    50  -0.18200 -1.0 2.0
   66    68   -71    50   0.29450  1.0 3.0
   66    68    71    72  -0.09450  1.0 1.0
   66    68    71    72  -1.12950 -1.0 2.0
   66    68    71    72   0.54000  1.0 3.0
   66    68    71    73  -0.95700  1.0 1.0
   66    68    71    73  -0.18200 -1.0 2.0
   66    68    71    73   0.29450  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.30150 -1.0 2.0
   68    71    72    59   0.06250  1.0 1.0
   68    71    72    59  -0.01100 -1.0 2.0
   68    71    72    59   0.28050  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    73    75   0.15000  1.0 3.0
   68    71    73    76   0.15000  1.0 3.0
   69    68    71    50   0.15000  1.0 3.0
   69    68    71    72   0.23400  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   70    68    71    50   0.15000  1.0 3.0
   70    68    71    72   0.23400  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   71    50   -53    56   0.56750  1.0 1.0
   71    50   -53    56  -0.07550 -1.0 2.0
   71    50   -53    56   0.20000  1.0 3.0
   71    50   -53    59   0.56750  1.0 1.0
   71    50   -53    59  -0.07550 -1.0 2.0
   71    50   -53    59   0.20000  1.0 3.0
   71    50    53    62   0.56750  1.0 1.0
   71    50    53    62  -0.07550 -1.0 2.0
   71    50    53    62   0.20000  1.0 3.0
   71    50    54    55  -0.11600  1.0 1.0
   71    50    54    55  -0.09450 -1.0 2.0
   71    50    54    55   0.21250  1.0 3.0
   71    72   -59    53   0.06250  1.0 1.0
   71    72   -59    53  -0.01100 -1.0 2.0
   71    72   -59    53   0.28050  1.0 3.0
   71    72    59    60   0.37050  1.0 3.0
   71    72    59    61   0.37050  1.0 3.0
   72    71    73    74   0.23400  1.0 3.0
   72    71    73    75   0.23400  1.0 3.0
   72    71    73    76   0.23400  1.0 3.0
   59    53    56    57   0.15000  1.0 3.0
   59    53    56    58   0.15000  1.0 3.0
   59    53    56    66  -0.95700  1.0 1.0
   59    53    56    66  -0.18200 -1.0 2.0
   59    53    56    66   0.29450  1.0 3.0
   59    53    62    63   0.15000  1.0 3.0
   59    53    62    64   0.15000  1.0 3.0
   59    53    62    65   0.15000  1.0 3.0
   73    71    72    59   0.06250  1.0 1.0
   73    71    72    59  -0.01100 -1.0 2.0
   73    71    72    59   0.28050  1.0 3.0
   62    53    56    57   0.15000  1.0 3.0
   62    53    56    58   0.15000  1.0 3.0
   62    53    56    66  -0.95700  1.0 1.0
   62    53    56    66  -0.18200 -1.0 2.0
   62    53    56    66   0.29450  1.0 3.0
   62    53    59    72   0.62750  1.0 1.0
   62    53    59    72  -0.30950 -1.0 2.0
   62    53    59    72   0.27300  1.0 3.0
   62    53    59    60   0.15000  1.0 3.0
   62    53    59    61   0.15000  1.0 3.0
   54    50    53    56   0.86500  1.0 1.0
   54    50    53    56  -0.17500 -1.0 2.0
   54    50    53    56   0.20800  1.0 3.0
   54    50    53    59   0.86500  1.0 1.0
   54    50    53    59  -0.17500 -1.0 2.0
   54    50    53    59   0.20800  1.0 3.0
   54    50    53    62   0.86500  1.0 1.0
   54    50    53    62  -0.17500 -1.0 2.0
   54    50    53    62   0.20800  1.0 3.0
   54    50    71    68   0.86500  1.0 1.0
   54    50    71    68  -0.17500 -1.0 2.0
   54    50    71    68   0.20800  1.0 3.0
   54    50    71    72   3.69350  1.0 1.0
   54    50    71    72  -1.82950 -1.0 2.0
   54    50    71    73   0.86500  1.0 1.0
   54    50    71    73  -0.17500 -1.0 2.0
   54    50    71    73   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    51    52   1.50000  1.0 1.0
   43    48    51    52   2.45000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    51   0.00000  1.0 1.0
   49    48    51    52   0.92200  1.0 1.0
   49    48    51    52   3.74100 -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    38    37    46  15.00000 -1.0 2.0
   50    47    46    37  15.00000 -1.0 2.0
   56    68    66    67  10.50000 -1.0 2.0
   43    51    48    49  10.50000 -1.0 2.0
END
