* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    221     393
    1     0 S   NP   _N1_     1    28.15616    96.61518   -25.02834
    2     1 S   H    _HN1     2     1.02956    77.25450    -8.30764
    3     1 S   H    _H1_     3     1.02834    30.35010   160.68471
    4     1 S   H    _H2_     4     1.02775   113.03289  -113.05113
    5     1 S   CT   _CA1     5     1.50160   128.26047    97.72163
    6     5 S   HC   _HA1     6     1.09576   105.17488    87.97100
    7     5 S   CO3  _C1_     7     1.53748   112.30987   -32.15068
    8     7 S   O2Z  _O11     8     1.26371   114.97824   -44.08629
    9     7 S   O2Z  _O12     9     1.26224   114.91086   134.78990
   10     5 S   CT   _CB1    10     1.53069   107.39609  -154.16737
   11    10 S   HC   HB11    11     1.09835   109.22894   -50.27118
   12    10 S   HC   HB12    12     1.09813   110.46851    66.23867
   13    10 S   CT   _CG1    13     1.53062   112.76312  -171.31574
   14    13 S   HC   HG11    14     1.09586   110.57920   -66.56395
   15    13 S   HC   HG12    15     1.09661   109.85513    52.68351
   16    13 S   C    _CD1    16     1.51865   112.12262   172.99375
   17    16 S   O    _OE1    17     1.22780   123.20915     5.10139
   18    16 S   N    _N2_    18     1.38558   111.89252  -174.81507
   19    18 S   H    _HN2    19     1.01559   119.19982     2.70443
   20    18 S   CT1  _CA2    20     1.45865   122.66859   177.12138
   21    20 S   HC   _HA2    21     1.09722   108.83273    28.28421
   22    20 S   C    _C2_    22     1.52973   106.73995   -88.93104
   23    22 S   O    _O2_    23     1.23013   122.96026   -29.55625
   24    20 S   CT   _CB2    32     1.53303   112.54113   151.70052
   25    24 S   HC   HB21    33     1.09437   109.45962    55.45132
   26    24 S   HC   HB22    34     1.09324   109.36856   174.23109
   27    22 S   N    _N3_    24     1.38494   112.71966   153.17775
   28    27 S   H    _HN3    25     1.01668   120.38790    -1.66248
   29    24 S   S    _SG2    35     1.82385   110.99128   -65.08874
   30    27 S   CT   _CA3    26     1.45358   122.32475   178.64160
   31    30 S   HC   HA31    27     1.09573   107.58673   -59.99630
   32    30 S   HC   HA32    28     1.09571   107.77942    56.26823
   33    29 S   CT   _C12    36     1.88977   101.99549  -176.84874
   34    30 S   CO3  _C3_    29     1.52863   114.50173   178.16923
   35    34 S   O2Z  _O31    30     1.26308   116.12327    -1.87283
   36    34 S   O2Z  _O32    31     1.26461   114.37723   178.17394
   37    33 S   CA   _C14    37     1.58221   109.77312   -60.65036
   38    33 S   CO4  _C13    56     1.56147   108.43407  -179.50228
   39    38 S   O    _O34    57     1.22700   125.42860     6.75563
   40    37 S   CA   _C19    38     1.43498   123.17526   -83.58133
   41    38 S   CA   _C8_    58     1.48993   115.96341  -172.53715
   42    40 S   CA   _C18    39     1.41126   121.41849  -166.76452
   43    41 S   CA   _C9_    59     1.40237   119.00797    25.33573
   44    42 S   CA   _C17    40     1.39367   120.23355    -6.45239
   45    42 S   CO4  _C23    48     1.47728   119.59813   171.58814
   46    45 S   O    _O36    49     1.22496   122.22001   170.03968
   47    43 S   CA   _C4_    60     1.40077   120.32410  -178.36159
   48    47 S   HA   _H4_    61     1.08659   120.66710  -179.94766
   49    43 S   CO4  _C10    70     1.49064   120.77292     4.40722
   50    49 S   O    _O33    71     1.23032   119.69355  -177.87174
   51    44 S   CA   _C16    41     1.38261   119.71132    -0.05234
   52    51 S   HA   _H6_    42     1.08762   119.25509  -177.65015
   53    44 S   OH   _O38    46     1.36733   124.08449  -179.30931
   54    53 S   HO   _H8_    47     0.97390   109.01569     1.61386
   55    45 S   CM   _C22    50     1.47200   117.19441   -13.24994
   56    55 S   HC   _H7_    51     1.08687   115.83288  -161.94292
   57    47 S   CA   _C5_    62     1.39269   119.46696    -0.92894
   58    33 S   CT   _C11    72     1.59440   108.43124    68.78293
   59    58 S   OM   _O40    73     1.32978   113.54411    62.26489
   60    58 S   HC   _H3_    74     1.09103   108.42285   -68.99414
   61    37 S   CA   _C15    43     1.41821   121.67589   100.72153
   62    55 S   CMA  _C21    52     1.34131   123.51916    20.14392
   63    62 S   OM   _O37    53     1.26103   129.83804   177.93408
   64    57 S   CA   _C6_    63     1.39074   120.83245    -0.38308
   65    64 S   HA   _H5_    64     1.08677   120.19985  -179.44574
   66    57 S   OH   _O42    68     1.36657   121.01661  -179.80719
   67    66 S   HO   _H11    69     0.97245   108.61985    -0.13122
   68    61 S   OH   _O39    44     1.36850   121.38593   -12.02934
   69    68 S   HO   _H9_    45     0.97169   110.21685   177.51037
   70    40 S   CO4  _C20    54     1.48905   123.98496    19.91213
   71    70 S   O    _O35    55     1.22616   119.96771    37.38637
   72    41 S   CA   _C7_    65     1.40125   121.76808  -154.92609
   73    72 S   OH   _O41    66     1.36719   123.49382    -1.03835
   74    73 S   HO   _H10    67     0.97506   109.33897     5.42766
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  19  13   4  14  12  13  12  10   8   3  10   4
   6   3   6   3   2   1   5   3   6   3   1   1   3   3   2   6
   3   2   1   1   1   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    61    38    39    41    49    58    59    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    61    68    70    38    39    41    43    72    49    50    58    59    60  
   35    36  
   36  
    0  
   40    42    44    51    52    61    68    69    45    62    70    71    38    39    41    49    58    59    60  
   39    41    43    47    64    72    73    49    58    59    60    40    61  
   41    43    72    58  
   42    44    51    61    68    53    45    46    55    62    63    70    71    58  
   43    47    48    57    64    65    72    73    74    49    50    58  
   44    51    52    61    53    54    45    46    55    56    62    70    71  
   47    48    57    64    72    73    66    49    50    58    59    60  
   51    52    61    68    53    54    45    46    55    70  
   46    55    56    62    63    70    51    53  
   55    56    62  
   48    57    64    65    72    66    67    49    50    58  
   57    64    66    49  
   50    58    59    60    57    72  
   58    59    60  
   52    61    68    69    53    54  
   61    68    53  
   54    61  
    0  
   56    62    63    70    71  
   62    63    70  
   64    65    72    73    66    67  
   59    60    61  
   60  
    0  
   68    69    70  
   63    70    71  
   70    71  
   65    72    73    74    66    67  
   72    73    66  
   67    72  
    0  
   69  
    0  
   71  
    0  
   73    74  
   74  
    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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    38   317.000  1.522
   33    58   268.000  1.529
   37    40   469.000  1.400
   37    61   469.000  1.400
   40    42   469.000  1.400
   40    70   310.000  1.470
   42    44   469.000  1.400
   42    45   310.000  1.470
   44    51   469.000  1.400
   44    53   450.000  1.364
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    68   450.000  1.364
   68    69   553.000  0.945
   53    54   553.000  0.945
   45    46   570.000  1.229
   45    55   320.000  1.462
   55    56   340.000  1.080
   55    62   465.000  1.376
   62    63   745.000  1.250
   62    70   270.000  1.476
   70    71   570.000  1.229
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    72   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    64   469.000  1.400
   57    66   450.000  1.364
   64    65   367.000  1.080
   64    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   66    67   553.000  0.945
   49    50   570.000  1.229
   49    58   317.000  1.522
   58    59   570.000  1.307
   58    60   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    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    58    75.00000  111.63000
   33    37    40    70.00000  120.00000
   33    37    61    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    63.00000  111.10000
   33    58    59    50.00000  109.50000
   33    58    60    37.50000  110.70000
   37    40    42    63.00000  120.00000
   37    40    70    60.00000  119.52600
   37    61    51    63.00000  120.00000
   37    61    68    70.00000  120.00000
   40    42    44    63.00000  120.00000
   40    42    45    60.00000  119.52600
   40    70    62    60.00000  117.44000
   40    70    71    75.00000  123.78400
   42    44    51    63.00000  120.00000
   42    44    53    70.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    55    65.00000  117.02400
   44    51    52    35.00000  120.00000
   44    51    61    63.00000  120.00000
   44    53    54    35.00000  113.00000
   51    61    68    70.00000  120.00000
   61    37    40    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    68    69    35.00000  113.00000
   53    44    51    70.00000  120.00000
   45    42    44    60.00000  119.52600
   45    55    56    40.00000  117.72500
   45    55    62    60.00000  125.92000
   55    45    46    80.00000  123.72100
   55    62    63    65.00000  137.10300
   55    62    70    65.00000  114.61000
   62    55    56    40.00000  120.50800
   62    70    71    80.00000  120.81000
   70    40    42    60.00000  119.52600
   70    62    63    85.00000  116.28000
   38    33    37    70.00000  110.93000
   38    41    43    60.00000  119.52600
   38    41    72    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    72    64    63.00000  120.00000
   41    72    73    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    58    65.00000  115.47100
   47    57    64    63.00000  120.00000
   47    57    66    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    64    65    35.00000  120.00000
   57    64    72    63.00000  120.00000
   57    66    67    35.00000  113.00000
   64    72    73    70.00000  120.00000
   72    41    43    63.00000  120.00000
   72    64    65    35.00000  120.00000
   72    73    74    35.00000  113.00000
   66    57    64    70.00000  120.00000
   49    43    47    60.00000  119.52600
   49    58    59    90.00000  108.74100
   49    58    60    35.00000  109.50000
   58    33    37    70.00000  112.17500
   58    33    38    63.00000  111.10000
   58    49    50    80.00000  120.40000
   60    58    59    45.00000  125.66300
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    61  -0.16000  1.0 1.0
   29    33    37    61  -0.03200 -1.0 2.0
   29    33    37    61   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.56750  1.0 1.0
   29    33    58    49  -0.07550 -1.0 2.0
   29    33    58    49   0.20000  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    37    40    42   3.62500 -1.0 2.0
   33    37    40    70   3.62500 -1.0 2.0
   33    37    61    51   3.62500 -1.0 2.0
   33    37    61    68   3.62500 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    72   2.26350  1.0 1.0
   33    38    41    72   0.76750 -1.0 2.0
   33    38    41    72   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49   0.56750  1.0 1.0
   37    33    58    49  -0.07550 -1.0 2.0
   37    33    58    49   0.20000  1.0 3.0
   37    33    58    59  -0.64350  1.0 1.0
   37    33    58    59  -0.04200 -1.0 2.0
   37    33    58    59   0.19800  1.0 3.0
   37    33    58    60   0.43200  1.0 3.0
   37    40    42    44   3.62500 -1.0 2.0
   37    40    42    45   3.62500 -1.0 2.0
   37    40    70    62  -0.11500  1.0 1.0
   37    40    70    62   1.10450 -1.0 2.0
   37    40    70    62  -0.48050  1.0 3.0
   37    40    70    71   1.05000 -1.0 2.0
   37    61    68    69   0.84100 -1.0 2.0
   40    37    61    51   3.62500 -1.0 2.0
   40    37    61    68   3.62500 -1.0 2.0
   40    42   -44    51   3.62500 -1.0 2.0
   40    42    44    53   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    55  -0.11500  1.0 1.0
   40    42    45    55   1.10450 -1.0 2.0
   40    42    45    55  -0.48050  1.0 3.0
   42    40    70    62  -0.11500  1.0 1.0
   42    40    70    62   1.10450 -1.0 2.0
   42    40    70    62  -0.48050  1.0 3.0
   42    40    70    71   1.05000 -1.0 2.0
   42    44    51    52   3.62500 -1.0 2.0
   42    44    51    61   3.62500 -1.0 2.0
   42    44    53    54   0.84100 -1.0 2.0
   42    45    55    56   1.64500 -1.0 2.0
   42    45   -55    62  -1.65800  1.0 1.0
   42    45   -55    62   0.77650 -1.0 2.0
   44    42    45    46   1.05000 -1.0 2.0
   44    42    45    55  -0.11500  1.0 1.0
   44    42    45    55   1.10450 -1.0 2.0
   44    42    45    55  -0.48050  1.0 3.0
   44    51   -61    37   3.62500 -1.0 2.0
   44    51    61    68   3.62500 -1.0 2.0
   51    44    53    54   0.84100 -1.0 2.0
   51    61    68    69   0.84100 -1.0 2.0
   52    51    61    37   3.62500 -1.0 2.0
   52    51    61    68   3.62500 -1.0 2.0
   61    37   -40    42   3.62500 -1.0 2.0
   61    37    40    70   3.62500 -1.0 2.0
   53    44    51    52   3.62500 -1.0 2.0
   53    44    51    61   3.62500 -1.0 2.0
   45    42    44    51   3.62500 -1.0 2.0
   45    42    44    53   3.62500 -1.0 2.0
   45    55    62    63   7.00000 -1.0 2.0
   45    55    62    70   7.00000 -1.0 2.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    62   1.00000 -1.0 2.0
   55    62   -70    40  -1.65800  1.0 1.0
   55    62   -70    40   0.77650 -1.0 2.0
   55    62    70    71   1.00000 -1.0 2.0
   56    55    62    63   7.00000 -1.0 2.0
   56    55    62    70   7.00000 -1.0 2.0
   63    62    70    40   1.50000 -1.0 2.0
   63    62    70    71  -0.11900  1.0 1.0
   63    62    70    71   0.76850 -1.0 2.0
   63    62    70    71   0.14100  1.0 3.0
   70    40    42    44   3.62500 -1.0 2.0
   70    40   -42    45   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    61   0.04300 -1.0 2.0
   38    33    58    49   0.11950  1.0 1.0
   38    33    58    49   0.20300 -1.0 2.0
   38    33    58    49  -0.70800  1.0 3.0
   38    33    58    59  -0.09450  1.0 1.0
   38    33    58    59  -1.12950 -1.0 2.0
   38    33    58    59   0.54000  1.0 3.0
   38    33    58    60  -0.11250  1.0 3.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    72    64   3.62500 -1.0 2.0
   38    41    72    73   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    72   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    58   2.26350  1.0 1.0
   41    43    49    58   0.76750 -1.0 2.0
   41    43    49    58   0.22500  1.0 3.0
   41    72    73    74   0.84100 -1.0 2.0
   43    41    72    64   3.62500 -1.0 2.0
   43    41    72    73   3.62500 -1.0 2.0
   43    47   -57    64   3.62500 -1.0 2.0
   43    47    57    66   3.62500 -1.0 2.0
   43    49   -58    33   0.05850 -1.0 2.0
   43    49   -58    33   0.17250  1.0 3.0
   43    49    58    59   0.65300  1.0 1.0
   43    49    58    59  -0.03850 -1.0 2.0
   43    49    58    59   0.33900  1.0 3.0
   43    49    58    60   0.00000  1.0 1.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    58   2.26350  1.0 1.0
   47    43    49    58   0.76750 -1.0 2.0
   47    43    49    58   0.22500  1.0 3.0
   47    57    64    65   3.62500 -1.0 2.0
   47    57    64    72   3.62500 -1.0 2.0
   47    57    66    67   0.84100 -1.0 2.0
   48    47    57    64   3.62500 -1.0 2.0
   48    47    57    66   3.62500 -1.0 2.0
   57    64   -72    41   3.62500 -1.0 2.0
   57    64    72    73   3.62500 -1.0 2.0
   64    57    66    67   0.84100 -1.0 2.0
   64    72    73    74   0.84100 -1.0 2.0
   65    64    72    41   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   72    41   -43    47   3.62500 -1.0 2.0
   72    41    43    49   3.62500 -1.0 2.0
   66    57    64    65   3.62500 -1.0 2.0
   66    57    64    72   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   50    49    58    33   0.30150 -1.0 2.0
   50    49    58    59   0.30150 -1.0 2.0
   50    49    58    60   0.00000  1.0 1.0
   58    33    37    40   0.04150 -1.0 2.0
   58    33    37    61   0.04150 -1.0 2.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.05850 -1.0 2.0
   58    33   -38    41   0.17250  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
   40    61    37    33   4.00000 -1.0 2.0
   42    70    40    37   4.00000 -1.0 2.0
   44    45    42    40   4.00000 -1.0 2.0
   51    53    44    42   4.00000 -1.0 2.0
   61    52    51    44   1.10000 -1.0 2.0
   51    68    61    37   4.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   45    56    55    62   1.10000 -1.0 2.0
   70    63    62    55   1.10000 -1.0 2.0
   40    62    70    71  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    72    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   64    66    57    47   4.00000 -1.0 2.0
   72    65    64    57   1.10000 -1.0 2.0
   64    73    72    41   4.00000 -1.0 2.0
   43    58    49    50  10.50000 -1.0 2.0
END
