* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    136    221     402
    1     0 S   NP   _N1_     1    29.45793    94.40699   -24.29948
    2     1 S   H    _HN1     2     1.02962    77.49011    29.96091
    3     1 S   H    _H1_     3     1.02833    30.95529  -167.62361
    4     1 S   H    _H2_     4     1.02774   109.59466   -75.30154
    5     1 S   CT   _CA1     5     1.50124   131.52300   136.22947
    6     5 S   HC   _HA1     6     1.09573   105.22610    86.32488
    7     5 S   CO3  _C1_     7     1.53773   112.42729   -33.90738
    8     7 S   O2Z  _O11     8     1.26359   115.00590   -42.91087
    9     7 S   O2Z  _O12     9     1.26237   114.93225   136.24834
   10     5 S   CT   _CB1    10     1.53056   107.40934  -155.74244
   11    10 S   HC   HB11    11     1.09811   109.28585   -50.56559
   12    10 S   HC   HB12    12     1.09822   110.42737    65.95230
   13    10 S   CT   _CG1    13     1.53031   112.71317  -171.62626
   14    13 S   HC   HG11    14     1.09580   110.55470   -64.56088
   15    13 S   HC   HG12    15     1.09654   109.94045    54.77574
   16    13 S   C    _CD1    16     1.51719   112.13339   175.11320
   17    16 S   O    _OE1    17     1.22670   123.09848     1.89465
   18    16 S   N    _N2_    18     1.38507   111.84718  -178.18027
   19    18 S   H    _HN2    19     1.01593   118.97730    -1.12012
   20    18 S   CT1  _CA2    20     1.46162   123.32448   178.44455
   21    20 S   HC   _HA2    21     1.09492   109.02717   -20.21579
   22    20 S   C    _C2_    22     1.53350   107.56742  -134.64851
   23    22 S   O    _O2_    23     1.22957   122.81582  -141.67951
   24    20 S   CT   _CB2    32     1.53376   112.02017   102.94857
   25    24 S   HC   HB21    33     1.09673   109.36692    56.83052
   26    24 S   HC   HB22    34     1.09480   111.06542   173.60711
   27    22 S   N    _N3_    24     1.38515   112.98999    45.52552
   28    27 S   H    _HN3    25     1.01638   119.32359    -3.93776
   29    24 S   S    _SG2    35     1.83402   114.99049   -62.65455
   30    27 S   CT   _CA3    26     1.45271   122.99010   176.34870
   31    30 S   HC   HA31    27     1.09556   107.98345   -53.86859
   32    30 S   HC   HA32    28     1.09555   107.45645    62.49635
   33    29 S   CT   _C10    36     1.84641   100.77473   -67.24893
   34    33 S   HC   _H3_    37     1.09018   105.57914    52.45455
   35    30 S   CO3  _C3_    29     1.52892   114.19038  -175.52202
   36    35 S   O2Z  _O31    30     1.26407   116.00642    10.05133
   37    35 S   O2Z  _O32    31     1.26387   114.49619  -170.29546
   38    33 S   CA   _C9_    38     1.52105   110.21778   167.69533
   39    33 S   CM   _C11    51     1.51086   109.67109   -66.69747
   40    39 S   HC   _H7_    52     1.09217   115.06254   -52.33866
   41    38 S   CA   _C4_    39     1.40513   122.37764    73.72908
   42    41 S   HA   _H4_    40     1.08726   120.56358     0.34092
   43    39 S   CMA  _C12    53     1.35582   128.33875   124.52100
   44    43 S   OM   _O34    54     1.26126   126.71022  -176.51845
   45    41 S   CA   _C5_    41     1.39772   120.82684  -179.44257
   46    45 S   HA   _H5_    42     1.08622   119.25994  -179.81443
   47    43 S   NE   _N4_    55     1.39457   121.14289     4.14094
   48    47 S   H    _H8_    56     1.01248   115.23264     6.45734
   49    45 S   CA   _C6_    43     1.39322   119.81892     0.36691
   50    47 S   CT   _C13    57     1.45904   129.23078  -164.83795
   51    50 S   HC   _H9_    58     1.09641   109.24600    72.57674
   52    50 S   HC   _H10    59     1.09646   110.58735   -45.98800
   53    49 S   CA   _C7_    44     1.39098   120.11121     0.15702
   54    49 S   OH   _O36    49     1.36706   120.49252   179.92598
   55    54 S   HO   _H20    50     0.97198   108.65161     0.08393
   56    50 S   CT   _C14    60     1.53140   111.16536  -165.18859
   57    56 S   HC   _H11    61     1.09686   109.40426    58.87207
   58    56 S   HC   _H12    62     1.09764   108.63216   174.38640
   59    38 S   CA   _C8_    45     1.40594   119.17713  -104.96428
   60    59 S   HA   _H6_    46     1.08645   119.71474    -0.29739
   61    53 S   OH   _O35    47     1.36758   119.50471   179.52030
   62    61 S   HO   _H19    48     0.97297   108.73616  -178.45883
   63    56 S   C5B  _C15    63     1.49758   114.12720   -64.68222
   64    63 S   C5A  _C16    64     1.38097   126.30312   -72.54556
   65    64 S   HA   _H13    65     1.08138   131.22684     0.75381
   66    64 S   NA   _N5_    66     1.36794   108.49068  -179.54115
   67    66 S   H    _H14    67     1.01269   124.95701  -178.83685
   68    66 S   C56A _C17    68     1.37450   110.25506     0.17359
   69    68 S   CA   _C22    69     1.40028   129.99874   179.86878
   70    69 S   HA   _H17    70     1.08496   121.31635     0.03956
   71    69 S   CA   _C21    71     1.39729   117.67964   179.56255
   72    71 S   HA   _H16    72     1.08673   119.34655  -179.60883
   73    71 S   CA   _C20    73     1.39057   120.49091     0.10835
   74    73 S   CA   _C19    74     1.39880   121.54043     0.09691
   75    74 S   HA   _H15    75     1.08581   120.82175  -179.71607
   76    73 S   OH   _O33    77     1.36880   117.99373  -179.50663
   77    76 S   HO   _H18    78     0.97302   108.41819  -176.33563
   78    63 S   C56B _C18    76     1.43429   126.97343   107.99542
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   7   3   7   3   8   4
   7   8   5   4   6   3   1   9   4   3   3   1   1   1  10   7
   4   7   3   8   7   4   7   3   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    49    53    59    60    61    39    40    43  
   40    43    44    47    48    50    41    59  
   43    44    47  
   42    45    46    49    53    59    60    54  
   45    46    49    59  
   44    47    48    50    51    52    56  
   47    48    50  
   46    49    53    59    61    54    55  
   49    53    54  
   48    50    51    52    56    57    58    63  
   50    51    52    56  
   53    59    60    61    62    54    55  
   51    52    56    57    58    63    64    78  
   52    56    57    58    63  
   56    57    58    63  
   59    60    61    62    54    55  
   55    59    61  
    0  
   57    58    63    64    65    66    68    74    78  
   58    63    64    78  
   63    64    78  
   60    61    62  
   61  
   62  
    0  
   64    65    66    67    68    69    73    74    75    78  
   65    66    67    68    69    74    78  
   66    67    68    78  
   67    68    69    70    71    74    78  
   68    69    78  
   69    70    71    72    73    74    75    78  
   70    71    72    73    74    78    76  
   71    72    73    78  
   72    73    74    75    78    76    77  
   73    74    76  
   74    75    78    76    77  
   75    78    76    77  
   78    76  
   77    78  
    0  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   67   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.076700   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    53   469.000  1.400
   49    54   450.000  1.364
   53    59   469.000  1.400
   53    61   450.000  1.364
   59    60   367.000  1.080
   61    62   553.000  0.945
   54    55   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    48   434.000  1.010
   47    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   295.000  1.494
   63    64   520.000  1.370
   63    78   380.000  1.440
   64    65   367.000  1.080
   64    66   427.000  1.381
   66    67   434.000  1.010
   66    68   428.000  1.380
   68    69   469.000  1.400
   68    78   447.000  1.419
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    76   450.000  1.364
   74    75   367.000  1.080
   74    78   469.000  1.404
   76    77   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    53    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    53    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    59    63.00000  120.00000
   49    53    61    70.00000  120.00000
   49    54    55    35.00000  113.00000
   53    59    60    35.00000  120.00000
   53    61    62    35.00000  113.00000
   59    38    41    63.00000  120.00000
   61    53    59    70.00000  120.00000
   54    49    53    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    48    50.00000  121.48000
   43    47    50    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    56    80.00000  111.61500
   50    47    48    35.00000  112.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    63    70.00000  112.62400
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    63    64    55.00000  127.77900
   56    63    78    55.00000  128.73000
   58    56    57    33.00000  107.80000
   63    56    57    45.00000  111.11700
   63    56    58    45.00000  111.11700
   63    64    65    35.00000  130.70000
   63    64    66    70.00000  106.30000
   63    78    68    80.00000  107.43600
   63    78    74    50.00000  134.85500
   64    66    67    35.00000  120.00000
   64    66    68    90.00000  107.14200
   66    64    65    35.00000  121.60000
   66    68    69    70.00000  132.80000
   66    68    78    70.00000  104.40000
   68    66    67    35.00000  123.10000
   68    69    70    35.00000  120.00000
   68    69    71    85.00000  120.00000
   68    78    74    85.00000  116.20000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    76    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    78    63.00000  120.00000
   73    76    77    35.00000  113.00000
   78    63    64    80.00000  105.82900
   78    68    69    85.00000  122.70000
   78    74    75    35.00000  120.00000
   76    73    74    70.00000  120.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    53   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   41    38    59    53   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45   -49    53   3.62500 -1.0 2.0
   41    45    49    54   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    53    59   3.62500 -1.0 2.0
   45    49    53    61   3.62500 -1.0 2.0
   45    49    54    55   0.84100 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    53   -59    38   3.62500 -1.0 2.0
   49    53    59    60   3.62500 -1.0 2.0
   49    53    61    62   0.84100 -1.0 2.0
   53    49    54    55   0.84100 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    53    61    62   0.84100 -1.0 2.0
   61    53    59    38   3.62500 -1.0 2.0
   61    53    59    60   3.62500 -1.0 2.0
   54    49    53    59   3.62500 -1.0 2.0
   54    49    53    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    48   1.00000 -1.0 2.0
   39    43    47    50  -0.54700  1.0 1.0
   39    43    47    50   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    52   0.00000  1.0 1.0
   43    47    50    56   0.25450  1.0 1.0
   43    47    50    56  -0.61700 -1.0 2.0
   43    47    50    56  -0.23550  1.0 3.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    50   1.00000 -1.0 2.0
   47    50    56    57   0.22950  1.0 3.0
   47    50    56    58   0.22950  1.0 3.0
   47    50    56    63   0.08550  1.0 1.0
   47    50    56    63   1.07500 -1.0 2.0
   47    50    56    63  -0.10950  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    56   0.00000  1.0 1.0
   50    56    63    64   0.04150 -1.0 2.0
   50    56    63    78   0.04150 -1.0 2.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    63   0.43200  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    63   0.43200  1.0 3.0
   56    63    64    65   3.62500 -1.0 2.0
   56    63    64    66   3.62500 -1.0 2.0
   56    63    78    68   3.62500 -1.0 2.0
   56    63    78    74   3.62500 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    78   0.00000  1.0 1.0
   58    56    63    64   0.00000  1.0 1.0
   58    56    63    78   0.00000  1.0 1.0
   63    64    66    67   1.40000 -1.0 2.0
   63    64   -66    68   3.62500 -1.0 2.0
   64    63   -78    68   3.50000 -1.0 2.0
   64    63    78    74   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    78   3.62500 -1.0 2.0
   65    64    66    67   2.00000 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    71   3.62500 -1.0 2.0
   66    68   -78    63   3.00000 -1.0 2.0
   66    68    78    74   3.00000 -1.0 2.0
   67    66    68    69   1.52500 -1.0 2.0
   67    66    68    78   1.52500 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    78    63   3.00000 -1.0 2.0
   69    68    78    74   3.00000 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    76   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73    74    78   3.62500 -1.0 2.0
   71    73    76    77   0.84100 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    76   3.62500 -1.0 2.0
   73    74    78    63   3.62500 -1.0 2.0
   73    74   -78    68   3.50000 -1.0 2.0
   74    73    76    77   0.84100 -1.0 2.0
   75    74    78    63   3.62500 -1.0 2.0
   75    74    78    68   3.50000 -1.0 2.0
   78    63    64    65   3.62500 -1.0 2.0
   78    63   -64    66   3.62500 -1.0 2.0
   78    68    69    70   3.62500 -1.0 2.0
   78    68   -69    71   3.62500 -1.0 2.0
   76    73    74    75   3.62500 -1.0 2.0
   76    73    74    78   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   53    54    49    45   4.00000 -1.0 2.0
   59    61    53    49   4.00000 -1.0 2.0
   53    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   48    43    47    50   1.00000 -1.0 2.0
   64    78    63    56   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   67    64    66    68   1.00000 -1.0 2.0
   69    78    68    66   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    76    73    71   4.00000 -1.0 2.0
   78    75    74    73   1.10000 -1.0 2.0
   68    74    78    63   4.00000 -1.0 2.0
END
