* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    129    195     372
    1     0 S   NP   _N1_     1    29.41930    95.33390   -17.35811
    2     1 S   H    _HN1     2     1.02780    65.01096   -79.52461
    3     1 S   H    _H1_     3     1.02955   100.31330    25.95142
    4     1 S   H    _H2_     4     1.02840    48.12878   129.78273
    5     1 S   CT   _CA1     5     1.50112   147.64693  -171.94555
    6     5 S   HC   _HA1     6     1.09572   105.29524    16.90151
    7     5 S   CO3  _C1_     7     1.53890   112.00571  -103.36255
    8     7 S   O2Z  _O11     8     1.26365   115.09159   -51.27785
    9     7 S   O2Z  _O12     9     1.26220   114.87081   127.63240
   10     5 S   CT   _CB1    10     1.53077   107.40340   134.75431
   11    10 S   HC   HB11    11     1.09820   109.61328   -49.72953
   12    10 S   HC   HB12    12     1.09829   110.31648    66.82951
   13    10 S   CT   _CG1    13     1.53044   112.61030  -170.81752
   14    13 S   HC   HG11    14     1.09515   110.32562   -55.47008
   15    13 S   HC   HG12    15     1.09602   110.26847    63.55006
   16    13 S   C    _CD1    16     1.51826   111.70129  -176.40713
   17    16 S   O    _OE1    17     1.22772   122.96502   -19.57892
   18    16 S   N    _N2_    18     1.38554   112.01361   161.08888
   19    18 S   H    _HN2    19     1.01599   119.07525     1.76425
   20    18 S   CT1  _CA2    20     1.46285   123.35622  -175.96784
   21    20 S   HC   _HA2    21     1.09726   109.35633   -16.56586
   22    20 S   C    _C2_    22     1.53347   108.37962  -132.43701
   23    22 S   O    _O2_    23     1.23007   122.26908  -145.91648
   24    20 S   CT   _CB2    32     1.53497   111.16687   105.45305
   25    24 S   HC   HB21    33     1.09617   109.60688    55.71022
   26    24 S   HC   HB22    34     1.09535   110.85138   173.92840
   27    22 S   N    _N3_    24     1.38516   113.31430    41.50038
   28    27 S   H    _HN3    25     1.01535   118.89857    -0.66205
   29    24 S   S    _SG2    35     1.83074   111.68320   -66.49687
   30    27 S   CT   _CA3    26     1.45442   123.40481   175.01815
   31    30 S   HC   HA31    27     1.09527   109.17620    25.50158
   32    30 S   HC   HA32    28     1.09493   107.13763   142.50414
   33    29 S   CA   _C13    36     1.80092    99.29783   153.24688
   34    30 S   CO3  _C3_    29     1.52932   113.16068   -97.92624
   35    34 S   O2Z  _O31    30     1.26399   115.43033   -43.75551
   36    34 S   O2Z  _O32    31     1.26358   114.96469   137.18211
   37    33 S   CA   _C12    37     1.40918   120.56986    96.47909
   38    37 S   Cl   Cl2_    38     1.73420   122.55638    -1.04755
   39    37 S   CA   _C11    39     1.39944   120.86969   179.59749
   40    39 S   HA   _H14    40     1.08835   119.99860   178.89482
   41    39 S   CA   _C10    41     1.39285   120.14668    -0.80915
   42    41 S   Cl   Cl3_    42     1.72718   118.47326   178.48651
   43    41 S   CA   _C9_    43     1.39700   120.03554    -0.89635
   44    33 S   CA   _C14    44     1.41337   120.98143   -84.77674
   45    44 S   Cl   Cl1_    45     1.74114   121.17421     3.02485
   46    43 S   OS   _O33    46     1.37292   119.34029   178.20889
   47    46 S   CT   _C8_    47     1.43683   111.07331    95.06309
   48    47 S   HC   _H12    48     1.09661   109.46194   -66.81131
   49    47 S   HC   _H13    49     1.09529   111.23527    52.87015
   50    47 S   CT   _C7_    50     1.53247   108.14104   174.89984
   51    50 S   HC   _H10    51     1.08964   106.60325    56.03588
   52    50 S   HC   _H11    52     1.09459   110.63878   173.55585
   53    50 S   N    _N4_    53     1.48001   112.10917   -65.42716
   54    53 S   C    _C15    54     1.39746   124.17775    87.24816
   55    54 S   O    _O34    55     1.22467   127.28989  -141.15963
   56    53 S   CT   _C6_    64     1.46843   116.59014   -77.57831
   57    56 S   HC   _H8_    65     1.09546   109.56921   150.00967
   58    56 S   HC   _H9_    66     1.09454   109.48048    32.71131
   59    54 S   NA   _N5_    56     1.40195   115.28770    42.61087
   60    56 S   CT   _C5_    67     1.52847   110.78659   -89.67082
   61    60 S   HC   _H6_    68     1.09666   109.81169   -57.47546
   62    60 S   HC   _H7_    69     1.09612   110.10508    59.69394
   63    59 S   C5A  _C16    57     1.37992   129.66316    28.26795
   64    63 S   HA   _H15    58     1.08109   122.63130    -1.94903
   65    60 S   CT   _C4_    70     1.51956   111.60365  -178.86910
   66    65 S   HC   _H3_    71     1.09461   111.01152   -59.63954
   67    65 S   HC   _H4_    72     1.09446   110.99456    60.96418
   68    65 S   HC   _H5_    73     1.09447   110.25597  -179.39348
   69    63 S   C5B  _C17    59     1.37426   105.96807   176.37010
   70    69 S   HA   _H16    60     1.08054   127.51219   179.41617
   71    69 S   N5B  _N6_    61     1.36578   111.05720    -2.16374
   72    59 S   CRA  _C18    62     1.38115   124.71013  -160.14431
   73    72 S   HA   _H17    63     1.08215   121.90286     3.85524
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   9   2   1   1   8   4   6   3   6   3   7   3   1   7   8   5
   4  10   4   3  12  12   4  10   5   4   7   6   5   4   6   4
   3   2   1   1   4   2   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    44    45    46  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45  
   39    40    41    44  
   40    41    42    43    44    46  
   41    42    43  
   42    43    44    45    46    47  
   43    44    46  
   44    45    46    47    48    49    50  
   45    46    47  
   46  
   47    48    49    50    51    52    53  
   48    49    50    51    52    53    54    56  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    59    56    57    58    60  
   52    53    54    56  
   53    54    56  
   54    55    59    63    72    56    57    58    60    61    62    65  
   55    59    63    64    69    71    72    73    56    57    58    60  
   59    63    72    56  
   57    58    60    61    62    65    66    67    68    59  
   58    60    61    62    65  
   60    61    62    65  
   63    64    69    70    71    72    73  
   61    62    65    66    67    68  
   62    65    66    67    68  
   65    66    67    68  
   64    69    70    71    72    73  
   69    70    71    72  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73  
   73  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   39   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.221900   1.8100   1.6000   0.054801302  -1.445846770
   54   3.7500   0.1050   0.861300   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.073500   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.286000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.187000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.185000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.075000   1.3810   1.2100   0.030040813   0.268726247
   71   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   72   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    44   469.000  1.400
   37    38   300.000  1.725
   37    39   469.000  1.400
   39    40   367.000  1.080
   39    41   469.000  1.400
   41    42   300.000  1.725
   41    43   469.000  1.400
   43    44   469.000  1.400
   43    46   450.000  1.364
   44    45   300.000  1.725
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   337.000  1.449
   53    54   490.000  1.335
   53    56   337.000  1.449
   54    55   570.000  1.229
   54    59   320.000  1.420
   59    63   427.000  1.381
   59    72   477.000  1.343
   63    64   367.000  1.080
   63    69   520.000  1.370
   69    70   367.000  1.080
   69    71   410.000  1.394
   71    72   488.000  1.335
   72    73   367.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    44    85.00000  119.40000
   33    37    38    75.00000  120.00000
   33    37    39    63.00000  120.00000
   33    44    43    63.00000  120.00000
   33    44    45    75.00000  120.00000
   37    39    40    35.00000  120.00000
   37    39    41    63.00000  120.00000
   39    37    38    75.00000  120.00000
   39    41    42    75.00000  120.00000
   39    41    43    63.00000  120.00000
   41    39    40    35.00000  120.00000
   41    43    44    63.00000  120.00000
   41    43    46    70.00000  120.00000
   43    41    42    75.00000  120.00000
   43    44    45    75.00000  120.00000
   43    46    47    75.00000  111.00000
   44    33    37    63.00000  120.00000
   46    43    44    70.00000  120.00000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    50.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    70.00000  110.72300
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    50.00000  121.90000
   50    53    56    50.00000  118.00000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55    80.00000  122.90000
   53    54    59    80.00000  114.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    60    70.00000  110.72300
   54    59    63    65.00000  122.39000
   54    59    72    70.00000  114.00000
   59    54    55    95.00000  116.26000
   59    63    64    35.00000  121.60000
   59    63    69    70.00000  106.30000
   59    72    71    70.00000  120.00000
   59    72    73    35.00000  120.00000
   63    69    70    35.00000  128.20000
   63    69    71    70.00000  111.00000
   69    63    64    35.00000  130.70000
   69    71    72    70.00000  110.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   72    59    63    70.00000  109.80000
   56    53    54    50.00000  121.90000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    65    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    37.50000  110.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    44   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    44    43   3.62500 -1.0 2.0
   29    33    44    45   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    41   3.62500 -1.0 2.0
   37    33    44    43   3.62500 -1.0 2.0
   37    33    44    45   3.62500 -1.0 2.0
   37    39    41    42   3.62500 -1.0 2.0
   37    39   -41    43   3.62500 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    41   3.62500 -1.0 2.0
   39    41    43    44   3.62500 -1.0 2.0
   39    41    43    46   3.62500 -1.0 2.0
   40    39    41    42   3.62500 -1.0 2.0
   40    39    41    43   3.62500 -1.0 2.0
   41    43   -44    33   3.62500 -1.0 2.0
   41    43    44    45   3.62500 -1.0 2.0
   41    43    46    47   1.63200 -1.0 2.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    46   3.62500 -1.0 2.0
   43    46    47    48   0.08050  1.0 3.0
   43    46    47    49   0.08050  1.0 3.0
   43    46    47    50  -0.32850  1.0 1.0
   43    46    47    50  -0.35800 -1.0 2.0
   43    46    47    50   0.33950  1.0 3.0
   44    33    37    38   3.62500 -1.0 2.0
   44    33   -37    39   3.62500 -1.0 2.0
   44    43    46    47   1.63200 -1.0 2.0
   46    43    44    33   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    47    50    51   0.23400  1.0 3.0
   46    47    50    52   0.23400  1.0 3.0
   46    47    50    53   1.12100  1.0 1.0
   46    47    50    53  -0.16500 -1.0 2.0
   47    50    53    54  -0.43950  1.0 1.0
   47    50    53    54  -0.08100 -1.0 2.0
   47    50    53    54   0.03350  1.0 3.0
   47    50    53    56  -0.05900 -1.0 2.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    54    55   3.04450 -1.0 2.0
   50    53    54    59   2.45000 -1.0 2.0
   50    53    56    57   0.00000  1.0 1.0
   50    53    56    58   0.00000  1.0 1.0
   50    53    56    60  -0.05900 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    56   0.00000  1.0 1.0
   53    54    59    63   2.25000 -1.0 2.0
   53    54    59    72   2.25000 -1.0 2.0
   53    56    60    61   0.15000  1.0 3.0
   53    56    60    62   0.15000  1.0 3.0
   53    56    60    65   0.43900  1.0 1.0
   53    56    60    65   0.49100 -1.0 2.0
   53    56    60    65   0.28400  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    60  -0.43950  1.0 1.0
   54    53    56    60  -0.08100 -1.0 2.0
   54    53    56    60   0.03350  1.0 3.0
   54    59    63    64   3.62500 -1.0 2.0
   54    59    63    69   3.62500 -1.0 2.0
   54    59    72    71   3.62500 -1.0 2.0
   54    59    72    73   3.62500 -1.0 2.0
   55    54    59    63   2.25000 -1.0 2.0
   55    54    59    72   2.25000 -1.0 2.0
   59    63    69    70   5.37500 -1.0 2.0
   59    63   -69    71   5.37500 -1.0 2.0
   63    59   -72    71   2.32500 -1.0 2.0
   63    59    72    73   2.32500 -1.0 2.0
   63    69   -71    72   2.40000 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    71   3.62500 -1.0 2.0
   69    71   -72    59   5.00000 -1.0 2.0
   69    71    72    73   5.00000 -1.0 2.0
   70    69    71    72   2.40000 -1.0 2.0
   72    59    63    64   3.62500 -1.0 2.0
   72    59   -63    69   1.40000 -1.0 2.0
   56    53    54    55   3.04450 -1.0 2.0
   56    53    54    59   2.45000 -1.0 2.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60    65    68   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    65   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    68   0.15000  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
   37    44    33    29   4.00000 -1.0 2.0
   39    38    37    33   4.00000 -1.0 2.0
   41    40    39    37   1.10000 -1.0 2.0
   43    42    41    39   4.00000 -1.0 2.0
   44    46    43    41   4.00000 -1.0 2.0
   43    45    44    33   4.00000 -1.0 2.0
   56    54    53    50   1.00000 -1.0 2.0
   53    59    54    55  10.50000 -1.0 2.0
   63    72    59    54   4.00000 -1.0 2.0
   69    64    63    59   1.10000 -1.0 2.0
   71    70    69    63   1.10000 -1.0 2.0
   71    73    72    59   1.10000 -1.0 2.0
END
