* LIGAND DATABASE FILE (OPLS2005)
*
001      77    76    133    190     386
    1     0 S   NP   _N1_     1    28.63363    94.81520   -20.80248
    2     1 S   H    _HN1     2     1.02785    86.77566   -79.07387
    3     1 S   H    _H1_     3     1.02956    91.83907    29.11038
    4     1 S   H    _H2_     4     1.02840    32.23519   149.25705
    5     1 S   CT   _CA1     5     1.50097   142.80542   157.53419
    6     5 S   HC   _HA1     6     1.09585   105.25996    54.68847
    7     5 S   CO3  _C1_     7     1.53834   112.13321   -65.39546
    8     7 S   O2Z  _O11     8     1.26344   115.09117   -51.89863
    9     7 S   O2Z  _O12     9     1.26241   114.91524   127.19377
   10     5 S   CT   _CB1    10     1.53118   107.38694   172.33989
   11    10 S   HC   HB11    11     1.09816   109.43400   -52.21616
   12    10 S   HC   HB12    12     1.09816   110.45379    64.37752
   13    10 S   CT   _CG1    13     1.52920   112.46970  -173.34115
   14    13 S   HC   HG11    14     1.09503   110.13908   -61.38704
   15    13 S   HC   HG12    15     1.09632   110.16342    57.76700
   16    13 S   C    _CD1    16     1.51758   112.44891   178.38033
   17    16 S   O    _OE1    17     1.22713   123.27645    -7.00337
   18    16 S   N    _N2_    18     1.38595   111.53515   173.23462
   19    18 S   H    _HN2    19     1.01666   118.77305     2.27150
   20    18 S   CT1  _CA2    20     1.46185   123.52363  -178.09607
   21    20 S   HC   _HA2    21     1.09721   109.29627   -13.85047
   22    20 S   C    _C2_    22     1.53435   108.54238  -129.65660
   23    22 S   O    _O2_    23     1.23038   122.16582  -148.65278
   24    20 S   CT   _CB2    32     1.53544   111.49217   108.28552
   25    24 S   HC   HB21    33     1.09373   109.59100    55.72405
   26    24 S   HC   HB22    34     1.09512   110.37770   174.48317
   27    22 S   N    _N3_    24     1.38464   113.55065    38.55699
   28    27 S   H    _HN3    25     1.01527   118.91536    -0.38765
   29    24 S   S    _SG2    35     1.82642   111.98188   -65.71729
   30    27 S   CT   _CA3    26     1.45419   123.36851   175.76511
   31    30 S   HC   HA31    27     1.09533   109.11732    26.44568
   32    30 S   HC   HA32    28     1.09493   107.13830   143.37518
   33    29 S   CT   _C10    36     1.82662    99.92875   174.98929
   34    33 S   HC   _H12    37     1.09490   108.84940    48.64371
   35    33 S   HC   _H13    38     1.09538   107.00315   163.98124
   36    30 S   CO3  _C3_    29     1.52910   113.19045   -96.98825
   37    36 S   O2Z  _O31    30     1.26397   115.42923   -44.41031
   38    36 S   O2Z  _O32    31     1.26361   114.96454   136.53769
   39    33 S   CT   _C9_    39     1.52550   113.52792   -74.64314
   40    39 S   HC   _H10    40     1.09511   110.54662    60.71577
   41    39 S   HC   _H11    41     1.09606   109.71891   178.26980
   42    39 S   CO4  _C8_    42     1.51168   112.63333   -62.63214
   43    42 S   O    _O34    43     1.22369   124.52249   -40.45904
   44    42 S   OS   _O33    44     1.36314   109.60629   140.33029
   45    44 S   CT   _C7_    45     1.43718   115.76054  -176.59004
   46    45 S   HC   _H8_    46     1.09600   108.17407   -59.45077
   47    45 S   HC   _H9_    47     1.09734   108.53568    58.32154
   48    45 S   CT   _C6_    48     1.55170   110.96340   179.20500
   49    48 S   CT   _C5_    49     1.55840   109.68600  -174.17129
   50    49 S   HC   _H6_    50     1.09764   109.65751   174.81348
   51    49 S   HC   _H7_    51     1.09724   109.00728    59.29514
   52    48 S   CT   _C11    56     1.54988   108.89891    63.50064
   53    52 S   HC   _H14    57     1.09675   111.07623   -61.30645
   54    52 S   HC   _H15    58     1.09638   110.63900    58.06894
   55    48 S   CT   _C15    67     1.55774   109.97912   -57.01735
   56    55 S   HC   _H19    68     1.09611   109.65475   -50.39442
   57    55 S   HC   _H20    69     1.09673   110.47792  -169.69107
   58    49 S   CT   _C4_    52     1.52397   116.09046   -62.73442
   59    58 S   HC   _H3_    53     1.09320   111.83534    60.30788
   60    58 S   HC   _H4_    54     1.09530   109.63883   179.26113
   61    58 S   HC   _H5_    55     1.09339   111.72853   -61.89174
   62    52 S   OS   _O35    59     1.43798   109.84651   178.38214
   63    55 S   OS   _O37    70     1.43837   111.13340    71.15544
   64    62 S   CO4  _C12    60     1.35868   115.59867   179.74977
   65    64 S   O    _O36    61     1.22047   126.98681     0.07402
   66    63 S   CO4  _C16    71     1.35711   116.33679  -167.11174
   67    66 S   O    _O38    72     1.22040   127.19441     2.13130
   68    64 S   CM   _C13    62     1.47744   107.57396  -179.92087
   69    68 S   HC   _H16    63     1.08413   118.88165    -0.01978
   70    66 S   CM   _C17    73     1.47724   107.52409  -178.01633
   71    70 S   HC   _H21    74     1.08408   118.89549    -2.40827
   72    68 S   CM   _C14    64     1.33652   120.19030   179.97202
   73    72 S   HC   _H17    65     1.08500   120.16602  -179.98022
   74    72 S   HC   _H18    66     1.08492   122.33934    -0.01978
   75    70 S   CM   _C18    75     1.33637   120.16210   177.63553
   76    75 S   HC   _H22    76     1.08503   120.22196   179.74207
   77    75 S   HC   _H23    77     1.08495   122.40218    -0.10835
  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   7   5   4   3
   8   5   4   2   1   1   6   4   3   6   2   7  15   5   4  17
  14   7   6  11   4   3   8   3   2   3   2   1   1   5   5   6
   3   6   3   4   3   4   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45  
   41    42    43    44  
   42    43    44  
   43    44    45    46    47    48  
   44    45  
   45    46    47    48    49    52    55  
   46    47    48    49    50    51    58    52    53    54    62    55    56    57    63  
   47    48    49    52    55  
   48    49    52    55  
   49    50    51    58    59    60    61    52    53    54    62    64    55    56    57    63    66  
   50    51    58    59    60    61    52    53    54    62    55    56    57    63  
   51    58    59    60    61    52    55  
   58    59    60    61    52    55  
   53    54    62    64    65    68    55    56    57    63    58  
   54    62    64    55  
   62    64    55  
   56    57    63    66    67    70    58    62  
   57    63    66  
   63    66  
   59    60    61  
   60    61  
   61  
    0  
   64    65    68    69    72  
   66    67    70    71    75  
   65    68    69    72    73    74  
   68    69    72  
   67    70    71    75    76    77  
   70    71    75  
   69    72    73    74  
   72    73    74  
   71    75    76    77  
   75    76    77  
   73    74  
   74  
    0  
   76    77  
   77  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   317.000  1.522
   42    43   570.000  1.229
   42    44   214.000  1.327
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   268.000  1.529
   48    52   268.000  1.529
   48    55   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   320.000  1.410
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    68   320.000  1.462
   68    69   340.000  1.080
   68    72   549.000  1.340
   72    73   340.000  1.080
   72    74   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   320.000  1.410
   63    66   214.000  1.327
   66    67   570.000  1.229
   66    70   320.000  1.462
   70    71   340.000  1.080
   70    75   549.000  1.340
   75    76   340.000  1.080
   75    77   340.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    63.00000  111.10000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    80.00000  120.40000
   39    42    44    81.00000  111.40000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    44    45    83.00000  116.90000
   44    42    43    83.00000  123.40000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    50.00000  109.50000
   45    48    49    58.35000  112.70000
   45    48    52    58.35000  112.70000
   45    48    55    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    51    37.50000  110.70000
   48    49    58    58.35000  112.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    62    50.00000  109.50000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    63    50.00000  109.50000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    61    37.50000  110.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    48    49    58.35000  112.70000
   52    62    64    83.00000  116.90000
   54    52    53    33.00000  107.80000
   62    52    53    35.00000  109.50000
   62    52    54    35.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    68    90.00000  111.29400
   64    68    69    40.00000  117.72500
   64    68    72    65.00000  118.96000
   68    64    65    80.00000  123.72100
   68    72    73    35.00000  120.00000
   68    72    74    35.00000  120.00000
   72    68    69    35.00000  120.00000
   74    72    73    35.00000  117.00000
   55    48    49    58.35000  112.70000
   55    48    52    58.35000  112.70000
   55    63    66    83.00000  116.90000
   57    55    56    33.00000  107.80000
   63    55    56    35.00000  109.50000
   63    55    57    35.00000  109.50000
   63    66    67    83.00000  123.40000
   63    66    70    90.00000  111.29400
   66    70    71    40.00000  117.72500
   66    70    75    65.00000  118.96000
   70    66    67    80.00000  123.72100
   70    75    76    35.00000  120.00000
   70    75    77    35.00000  120.00000
   75    70    71    35.00000  120.00000
   77    75    76    35.00000  117.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.30150 -1.0 2.0
   33    39    42    44   0.36750  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42  -0.11250  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42  -0.11250  1.0 3.0
   39    42    44    45   1.63150  1.0 1.0
   39    42    44    45   2.92000 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    44   0.00000  1.0 1.0
   42    44    45    46   0.08050  1.0 3.0
   42    44    45    47   0.08050  1.0 3.0
   42    44    45    48  -0.25900  1.0 1.0
   42    44    45    48  -0.47000 -1.0 2.0
   42    44    45    48   0.11750  1.0 3.0
   43    42    44    45   3.00000 -1.0 2.0
   44    45    48    49   0.62750  1.0 1.0
   44    45    48    49  -0.30950 -1.0 2.0
   44    45    48    49   0.27300  1.0 3.0
   44    45    48    52   0.62750  1.0 1.0
   44    45    48    52  -0.30950 -1.0 2.0
   44    45    48    52   0.27300  1.0 3.0
   44    45    48    55   0.62750  1.0 1.0
   44    45    48    55  -0.30950 -1.0 2.0
   44    45    48    55   0.27300  1.0 3.0
   45    48    49    50   0.15000  1.0 3.0
   45    48    49    51   0.15000  1.0 3.0
   45    48    49    58   0.56750  1.0 1.0
   45    48    49    58  -0.07550 -1.0 2.0
   45    48    49    58   0.20000  1.0 3.0
   45    48    52    53   0.15000  1.0 3.0
   45    48    52    54   0.15000  1.0 3.0
   45    48    52    62   0.62750  1.0 1.0
   45    48    52    62  -0.30950 -1.0 2.0
   45    48    52    62   0.27300  1.0 3.0
   45    48    55    56   0.15000  1.0 3.0
   45    48    55    57   0.15000  1.0 3.0
   45    48    55    63   0.62750  1.0 1.0
   45    48    55    63  -0.30950 -1.0 2.0
   45    48    55    63   0.27300  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    52   0.15000  1.0 3.0
   47    45    48    55   0.15000  1.0 3.0
   48    49    58    59   0.15000  1.0 3.0
   48    49    58    60   0.15000  1.0 3.0
   48    49    58    61   0.15000  1.0 3.0
   48    52    62    64  -0.25900  1.0 1.0
   48    52    62    64  -0.47000 -1.0 2.0
   48    52    62    64   0.11750  1.0 3.0
   48    55    63    66  -0.25900  1.0 1.0
   48    55    63    66  -0.47000 -1.0 2.0
   48    55    63    66   0.11750  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    62   0.62750  1.0 1.0
   49    48    52    62  -0.30950 -1.0 2.0
   49    48    52    62   0.27300  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    63   0.62750  1.0 1.0
   49    48    55    63  -0.30950 -1.0 2.0
   49    48    55    63   0.27300  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    61   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    61   0.15000  1.0 3.0
   52    48    49    50   0.15000  1.0 3.0
   52    48    49    51   0.15000  1.0 3.0
   52    48    49    58   0.56750  1.0 1.0
   52    48    49    58  -0.07550 -1.0 2.0
   52    48    49    58   0.20000  1.0 3.0
   52    48    55    56   0.15000  1.0 3.0
   52    48    55    57   0.15000  1.0 3.0
   52    48    55    63   0.62750  1.0 1.0
   52    48    55    63  -0.30950 -1.0 2.0
   52    48    55    63   0.27300  1.0 3.0
   52    62    64    65   3.00000 -1.0 2.0
   52    62    64    68   2.00000 -1.0 2.0
   53    52    62    64   0.08050  1.0 3.0
   54    52    62    64   0.08050  1.0 3.0
   62    64    68    69   1.63100 -1.0 2.0
   62    64    68    72  -0.56150  1.0 1.0
   62    64    68    72   2.19150 -1.0 2.0
   64    68    72    73   7.00000 -1.0 2.0
   64    68    72    74   7.00000 -1.0 2.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    72   1.00000 -1.0 2.0
   69    68    72    73   7.00000 -1.0 2.0
   69    68    72    74   7.00000 -1.0 2.0
   55    48    49    50   0.15000  1.0 3.0
   55    48    49    51   0.15000  1.0 3.0
   55    48    49    58   0.56750  1.0 1.0
   55    48    49    58  -0.07550 -1.0 2.0
   55    48    49    58   0.20000  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    62   0.62750  1.0 1.0
   55    48    52    62  -0.30950 -1.0 2.0
   55    48    52    62   0.27300  1.0 3.0
   55    63    66    67   3.00000 -1.0 2.0
   55    63    66    70   2.00000 -1.0 2.0
   56    55    63    66   0.08050  1.0 3.0
   57    55    63    66   0.08050  1.0 3.0
   63    66    70    71   1.63100 -1.0 2.0
   63    66    70    75  -0.56150  1.0 1.0
   63    66    70    75   2.19150 -1.0 2.0
   66    70    75    76   7.00000 -1.0 2.0
   66    70    75    77   7.00000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    75   1.00000 -1.0 2.0
   71    70    75    76   7.00000 -1.0 2.0
   71    70    75    77   7.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   39    44    42    43  10.50000 -1.0 2.0
   62    68    64    65  10.50000 -1.0 2.0
   64    69    68    72  15.00000 -1.0 2.0
   73    74    72    68  15.00000 -1.0 2.0
   63    70    66    67  10.50000 -1.0 2.0
   66    71    70    75  15.00000 -1.0 2.0
   76    77    75    70  15.00000 -1.0 2.0
END
