* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    140    208     400
    1     0 S   NP   _N1_     1    28.94583    97.53169   -21.91126
    2     1 S   H    _HN1     2     1.02813   102.27451  -113.43120
    3     1 S   H    _H1_     3     1.02858    68.32961    -8.50861
    4     1 S   H    _H2_     4     1.02946    43.56209   143.62204
    5     1 S   CT   _CA1     5     1.50478   143.12032    88.44049
    6     5 S   HC   _HA1     6     1.09696   104.62416   100.22672
    7     5 S   CO3  _C1_     7     1.54394   110.90590   -15.71083
    8     7 S   O2Z  _O11     8     1.25990   116.69565  -116.09360
    9     7 S   O2Z  _O12     9     1.26570   113.82275    62.75859
   10     5 S   CT   _CB1    10     1.53115   106.99429  -143.73569
   11    10 S   HC   HB11    11     1.09839   109.99554   -43.03975
   12    10 S   HC   HB12    12     1.09767   110.24249    73.66735
   13    10 S   CT   _CG1    13     1.52960   112.20230  -163.51355
   14    13 S   HC   HG11    14     1.09419   110.84473   -60.28094
   15    13 S   HC   HG12    15     1.09663   109.67468    58.85319
   16    13 S   C    _CD1    16     1.51700   112.25875   179.81025
   17    16 S   O    _OE1    17     1.22734   123.24473    11.73699
   18    16 S   N    _N2_    18     1.38606   111.71568  -169.12132
   19    18 S   H    _HN2    19     1.01540   119.11886     4.52688
   20    18 S   CT1  _CA2    20     1.46145   123.45385  -179.25297
   21    20 S   HC   _HA2    21     1.09726   109.20330     5.79660
   22    20 S   C    _C2_    22     1.53591   109.29281  -110.01381
   23    22 S   O    _O2_    23     1.23079   122.09696  -153.15058
   24    20 S   CT   _CB2    32     1.53516   111.37861   127.49019
   25    24 S   HC   HB21    33     1.09299   109.47961    61.13460
   26    24 S   HC   HB22    34     1.09511   109.69330   179.23587
   27    22 S   N    _N3_    24     1.38269   113.98221    34.24715
   28    27 S   H    _HN3    25     1.01555   119.55348    -3.65200
   29    24 S   S    _SG2    35     1.83431   111.09717   -61.57902
   30    27 S   CT   _CA3    26     1.45270   123.26612   177.27222
   31    30 S   HC   HA31    27     1.09547   107.55105   -63.41806
   32    30 S   HC   HA32    28     1.09554   107.94703    53.03065
   33    29 S   CT   _C9_    36     1.87873   102.70306   162.61709
   34    30 S   CO3  _C3_    29     1.52961   114.04237   174.93686
   35    34 S   O2Z  _O31    30     1.26385   116.06439    -1.98179
   36    34 S   O2Z  _O32    31     1.26427   114.42719   178.07045
   37    33 S   CM   _C8_    37     1.51826   110.54267    37.31973
   38    37 S   HC   _H9_    38     1.09077   116.07665    45.37475
   39    33 S   OS   _O37    72     1.44960   109.12227   157.73274
   40    37 S   CMA  _C7_    39     1.35095   126.74312  -134.67954
   41    40 S   OM   _O38    40     1.26177   129.18548   178.98509
   42    39 S   CT   _C20    73     1.42093   118.03257   -70.04070
   43    42 S   HC   _H17    74     1.09388   107.73297   171.24294
   44    42 S   HC   _H18    75     1.09263   112.21527    52.49812
   45    42 S   HC   _H19    76     1.09355   110.81949   -71.40168
   46    40 S   CT   _C6_    41     1.52799   119.61770    -1.65965
   47    46 S   HC   _H7_    42     1.10050   108.25100   105.05572
   48    46 S   HC   _H8_    43     1.10056   110.95101  -139.22869
   49    46 S   CT   _C5_    44     1.54775   114.88827   -16.41419
   50    49 S   HC   _H3_    45     1.09969   106.64364   163.18746
   51    33 S   CT   _C10    46     1.56829   110.59208   -85.92853
   52    49 S   CT   _C4_    68     1.53395   110.18583   -81.83686
   53    52 S   HC   _H4_    69     1.09318   112.73369    56.58204
   54    52 S   HC   _H5_    70     1.09624   109.88907   -62.40013
   55    52 S   HC   _H6_    71     1.09292   111.75599   179.18483
   56    51 S   CO4  _C11    47     1.52884   114.10209   -67.13642
   57    56 S   O    _O33    48     1.21686   127.96511   -55.85750
   58    56 S   CA   _C12    49     1.44479   108.12970   125.01667
   59    58 S   CA   _C17    50     1.37562   105.63534    -3.03338
   60    59 S   CA   _C16    51     1.38376   120.52408  -179.60983
   61    60 S   Cl   Cl1_    52     1.72702   119.65723   178.68047
   62    51 S   OS   _O34    67     1.46795   110.63901    48.46439
   63    60 S   CA   _C15    53     1.40557   118.86480    -0.64861
   64    63 S   CA   _C14    54     1.41307   119.55203     0.62464
   65    64 S   HA   _H10    55     1.08479   119.50741   179.02823
   66    63 S   OS   _O35    62     1.37295   116.07896   179.88465
   67    58 S   CA   _C13    56     1.38526   131.41269   177.03839
   68    66 S   CT   _C18    63     1.42181   117.57363   174.30188
   69    68 S   HC   _H11    64     1.09425   107.72481  -175.98453
   70    68 S   HC   _H12    65     1.09343   110.98480    66.46631
   71    68 S   HC   _H13    66     1.09496   111.31667   -58.17612
   72    67 S   OS   _O36    57     1.36400   117.05885    -0.14671
   73    72 S   CT   _C19    58     1.42224   117.21518  -179.32074
   74    73 S   HC   _H14    59     1.09426   107.73949   179.56165
   75    73 S   HC   _H15    60     1.09501   111.12893    61.83829
   76    73 S   HC   _H16    61     1.09430   111.23094   -62.67272
  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  10   5   4   3
  19   2   1   1  12   5   9   8   4   4   2   1   1  11   5   4
  11   7  11   5   2   1   1   8   4  10   8   8   4   2   9   6
   3   5   5   3   2   1   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    51    56    62    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    49    50    51    56    57    58    59    62    52    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    49    51    56    62    39    42  
   40    41    46    51    39  
   42    43    44    45    40    49    51    56    62  
   41    46    47    48    49    50    51    52  
   46    47    48    49  
   43    44    45    51  
   44    45  
   45  
    0  
   47    48    49    50    51    56    62    52    53    54    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    56    57    58    59    62    52    53    54    55  
   51    56    62    52    53    54    55  
   56    57    58    59    60    67    62    52    53    54    55  
   53    54    55    56    62  
   54    55  
   55  
    0  
   57    58    59    60    64    67    72    62  
   58    59    67    62  
   59    60    61    63    64    65    67    72    73    62  
   60    61    63    64    67    72    66    62  
   61    63    64    65    67    66    68    62  
   63    64    66    62  
   63    67  
   64    65    67    72    66    68    69    70    71  
   65    67    72    73    66    68  
   67    72    66  
   68    69    70    71    67  
   72    73    74    75    76  
   69    70    71  
   70    71  
   71  
    0  
   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  -0.316400   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   0.417900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    51   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   317.000  1.522
   51    62   320.000  1.410
   56    57   570.000  1.229
   56    58   310.000  1.470
   58    59   469.000  1.400
   58    67   469.000  1.400
   59    60   469.000  1.400
   59    62   450.000  1.364
   60    61   300.000  1.725
   60    63   469.000  1.400
   63    64   469.000  1.400
   63    66   450.000  1.364
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    72   450.000  1.364
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    51    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    51    49    58.35000  112.70000
   33    51    56    63.00000  111.10000
   33    51    62    50.00000  109.50000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    46    47    45.00000  110.52000
   40    46    48    45.00000  110.52000
   40    46    49    70.00000  112.02700
   46    40    41    85.00000  112.85300
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    56    63.00000  111.10000
   49    51    62    50.00000  109.50000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    33    37    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    57    80.00000  120.40000
   51    56    58    65.00000  115.47100
   51    62    59    75.00000  111.00000
   56    58    59    60.00000  119.52600
   56    58    67    60.00000  119.52600
   58    56    57    75.00000  123.78400
   58    59    60    63.00000  120.00000
   58    59    62    70.00000  120.00000
   58    67    64    63.00000  120.00000
   58    67    72    70.00000  120.00000
   59    60    61    75.00000  120.00000
   59    60    63    63.00000  120.00000
   60    63    64    63.00000  120.00000
   60    63    66    70.00000  120.00000
   63    60    61    75.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    67    63.00000  120.00000
   63    66    68    75.00000  111.00000
   64    67    72    70.00000  120.00000
   67    58    59    63.00000  120.00000
   67    64    65    35.00000  120.00000
   67    72    73    75.00000  111.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    63    64    70.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    51    56    90.00000  108.74100
   62    59    60    70.00000  120.00000
   52    49    50    37.50000  110.70000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    51    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    56   0.56750  1.0 1.0
   29    33    51    56  -0.07550 -1.0 2.0
   29    33    51    56   0.20000  1.0 3.0
   29    33    51    62   0.56750  1.0 1.0
   29    33    51    62  -0.07550 -1.0 2.0
   29    33    51    62   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    51    56    57   0.30150 -1.0 2.0
   33    51    56    58   0.05850 -1.0 2.0
   33    51    56    58   0.17250  1.0 3.0
   33    51    62    59  -0.32850  1.0 1.0
   33    51    62    59  -0.35800 -1.0 2.0
   33    51    62    59   0.33950  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    51    49   0.34400  1.0 1.0
   37    33    51    49   0.09450 -1.0 2.0
   37    33    51    49   0.11100  1.0 3.0
   37    33    51    56  -0.98800  1.0 1.0
   37    33    51    56   0.48800 -1.0 2.0
   37    33    51    56   0.76800  1.0 3.0
   37    33    51    62   0.61850  1.0 1.0
   37    33    51    62  -0.22750 -1.0 2.0
   37    33    51    62   0.15300  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40    46    47   0.00000  1.0 1.0
   37    40    46    48   0.00000  1.0 1.0
   37    40   -46    49   0.09850  1.0 1.0
   37    40   -46    49   0.15250 -1.0 2.0
   37    40   -46    49  -0.50650  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    49    50   0.15000  1.0 3.0
   40    46    49    51   0.34400  1.0 1.0
   40    46    49    51   0.09450 -1.0 2.0
   40    46    49    51   0.11100  1.0 3.0
   40    46    49    52   0.34400  1.0 1.0
   40    46    49    52   0.09450 -1.0 2.0
   40    46    49    52   0.11100  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    46    49   0.09700  1.0 1.0
   41    40    46    49   0.15600 -1.0 2.0
   41    40    46    49  -0.50800  1.0 3.0
   46    49   -51    33   0.56750  1.0 1.0
   46    49   -51    33  -0.07550 -1.0 2.0
   46    49   -51    33   0.20000  1.0 3.0
   46    49    51    56  -0.95700  1.0 1.0
   46    49    51    56  -0.18200 -1.0 2.0
   46    49    51    56   0.29450  1.0 3.0
   46    49    51    62   0.62750  1.0 1.0
   46    49    51    62  -0.30950 -1.0 2.0
   46    49    51    62   0.27300  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    51    56    57   0.30150 -1.0 2.0
   49    51    56    58   0.05850 -1.0 2.0
   49    51    56    58   0.17250  1.0 3.0
   49    51    62    59  -0.32850  1.0 1.0
   49    51    62    59  -0.35800 -1.0 2.0
   49    51    62    59   0.33950  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    56  -0.11250  1.0 3.0
   50    49    51    62   0.23400  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40   0.09850  1.0 1.0
   51    33   -37    40   0.15250 -1.0 2.0
   51    33   -37    40  -0.50650  1.0 3.0
   51    33    39    42   0.06250  1.0 1.0
   51    33    39    42  -0.01100 -1.0 2.0
   51    33    39    42   0.28050  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    56   -58    59   2.26350  1.0 1.0
   51    56   -58    59   0.76750 -1.0 2.0
   51    56   -58    59   0.22500  1.0 3.0
   51    56    58    67   2.26350  1.0 1.0
   51    56    58    67   0.76750 -1.0 2.0
   51    56    58    67   0.22500  1.0 3.0
   56    51   -62    59  -0.25600  1.0 1.0
   56    51   -62    59  -0.40050 -1.0 2.0
   56    51   -62    59   0.34700  1.0 3.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58   -59    62   3.62500 -1.0 2.0
   56    58    67    64   3.62500 -1.0 2.0
   56    58    67    72   3.62500 -1.0 2.0
   57    56    58    59   1.05000 -1.0 2.0
   57    56    58    67   1.05000 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    60    63   3.62500 -1.0 2.0
   58    59   -62    51   1.63200 -1.0 2.0
   58    67    72    73   1.63200 -1.0 2.0
   59    58    67    64   3.62500 -1.0 2.0
   59    58    67    72   3.62500 -1.0 2.0
   59    60   -63    64   3.62500 -1.0 2.0
   59    60    63    66   3.62500 -1.0 2.0
   60    59    62    51   1.63200 -1.0 2.0
   60    63    64    65   3.62500 -1.0 2.0
   60    63    64    67   3.62500 -1.0 2.0
   60    63    66    68   1.63200 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   61    60    63    66   3.62500 -1.0 2.0
   63    64   -67    58   3.62500 -1.0 2.0
   63    64    67    72   3.62500 -1.0 2.0
   63    66    68    69   0.08050  1.0 3.0
   63    66    68    70   0.08050  1.0 3.0
   63    66    68    71   0.08050  1.0 3.0
   64    63    66    68   1.63200 -1.0 2.0
   64    67    72    73   1.63200 -1.0 2.0
   65    64    67    58   3.62500 -1.0 2.0
   65    64    67    72   3.62500 -1.0 2.0
   67    58   -59    60   3.62500 -1.0 2.0
   67    58    59    62   3.62500 -1.0 2.0
   67    72    73    74   0.08050  1.0 3.0
   67    72    73    75   0.08050  1.0 3.0
   67    72    73    76   0.08050  1.0 3.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    67   3.62500 -1.0 2.0
   62    51    56    57   0.30150 -1.0 2.0
   62    51   -56    58   0.65300  1.0 1.0
   62    51   -56    58  -0.03850 -1.0 2.0
   62    51   -56    58   0.33900  1.0 3.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    63   3.62500 -1.0 2.0
   52    49    51    33   0.56750  1.0 1.0
   52    49    51    33  -0.07550 -1.0 2.0
   52    49    51    33   0.20000  1.0 3.0
   52    49    51    56  -0.95700  1.0 1.0
   52    49    51    56  -0.18200 -1.0 2.0
   52    49    51    56   0.29450  1.0 3.0
   52    49    51    62   0.62750  1.0 1.0
   52    49    51    62  -0.30950 -1.0 2.0
   52    49    51    62   0.27300  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    51    49   0.62750  1.0 1.0
   39    33    51    49  -0.30950 -1.0 2.0
   39    33    51    49   0.27300  1.0 3.0
   39    33    51    56  -0.09450  1.0 1.0
   39    33    51    56  -1.12950 -1.0 2.0
   39    33    51    56   0.54000  1.0 3.0
   39    33    51    62   1.11900  1.0 1.0
   39    33    51    62  -1.16350 -1.0 2.0
   39    33    51    62  -0.34150  1.0 3.0
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    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   51    58    56    57  10.50000 -1.0 2.0
   59    67    58    56   4.00000 -1.0 2.0
   60    62    59    58   4.00000 -1.0 2.0
   63    61    60    59   4.00000 -1.0 2.0
   64    66    63    60   4.00000 -1.0 2.0
   67    65    64    63   1.10000 -1.0 2.0
   64    72    67    58   4.00000 -1.0 2.0
END
