* LIGAND DATABASE FILE (OPLS2005)
*
001      75    74    133    190     388
    1     0 S   NP   _N1_     1    28.24692    95.29206   -19.57003
    2     1 S   H    _HN1     2     1.02647    79.23374   -90.13422
    3     1 S   H    _H1_     3     1.02922    89.00912    19.19995
    4     1 S   H    _H2_     4     1.03566    40.48543   135.36286
    5     1 S   CT   _CA1     5     1.49689   149.71812   152.28837
    6     5 S   HC   _HA1     6     1.09567   105.42014    49.80400
    7     5 S   CO3  _C1_     7     1.53664   112.27790   -70.62542
    8     7 S   O2Z  _O11     8     1.26328   114.87917   -47.80377
    9     7 S   O2Z  _O12     9     1.26266   114.93613   132.56126
   10     5 S   CT   _CB1    10     1.53210   107.86368   168.09931
   11    10 S   HC   HB11    11     1.09805   109.57644   -52.07950
   12    10 S   HC   HB12    12     1.09816   110.40957    64.60080
   13    10 S   CT   _CG1    13     1.53045   112.30615  -173.16910
   14    13 S   HC   HG11    14     1.09621   110.46424   -59.78977
   15    13 S   HC   HG12    15     1.09654   109.88546    59.25234
   16    13 S   C    _CD1    16     1.51770   112.81835  -179.94766
   17    16 S   O    _OE1    17     1.22666   123.46301    -2.38154
   18    16 S   N    _N2_    18     1.38642   111.30857   177.48947
   19    18 S   H    _HN2    19     1.01596   118.80682     2.53196
   20    18 S   CT1  _CA2    20     1.46247   123.80966  -178.80057
   21    20 S   HC   _HA2    21     1.09725   109.53804    -5.37414
   22    20 S   C    _C2_    22     1.53448   108.32371  -121.08202
   23    22 S   O    _O2_    23     1.23019   122.21066  -145.14729
   24    20 S   CTL  _CB2    32     1.53391   110.90939   116.84603
   25    24 S   HC   HB21    33     1.09611   109.51223    52.92204
   26    24 S   HC   HB22    34     1.09510   110.78939   171.84467
   27    22 S   N    _N3_    24     1.38498   113.44871    42.21360
   28    27 S   H    _HN3    25     1.01511   118.96868    -0.61006
   29    24 S   S    _SG2    35     1.82751   111.31758   -68.83047
   30    27 S   CT   _CA3    26     1.45458   123.49604   175.11473
   31    30 S   HC   HA31    27     1.09517   109.33122    22.85453
   32    30 S   HC   HA32    28     1.09498   107.10555   139.87407
   33    29 S   S    _S1_    36     2.05826   102.14975   155.84326
   34    30 S   CO3  _C3_    29     1.52915   113.01932  -100.68332
   35    34 S   O2Z  _O31    30     1.26408   115.36046   -45.44697
   36    34 S   O2Z  _O32    31     1.26347   115.00973   135.45731
   37    33 S   CT   _C14    37     1.82607   102.52171   -85.11170
   38    37 S   HC   _H19    38     1.09535   107.30341   168.23922
   39    37 S   HC   _H20    39     1.09524   109.35049    52.42662
   40    37 S   CT   _C13    40     1.52786   111.96050   -71.50129
   41    40 S   HC   _H17    41     1.09723   109.88140   -60.51543
   42    40 S   HC   _H18    42     1.09619   110.61857    57.74336
   43    40 S   CT   _C12    43     1.53145   111.16954   178.34909
   44    43 S   HC   _H15    44     1.09702   109.21896   -58.92228
   45    43 S   HC   _H16    45     1.09652   109.99509    58.54262
   46    43 S   CT   _C11    46     1.52987   111.01166  -179.92338
   47    46 S   HC   _H13    47     1.09667   109.75278   -64.09974
   48    46 S   HC   _H14    48     1.09680   109.20271    52.94494
   49    46 S   CT   _C10    49     1.52921   111.63123   174.02201
   50    49 S   HC   _H11    50     1.09687   110.04790    62.20120
   51    49 S   HC   _H12    51     1.09609   109.35336   -54.45431
   52    49 S   CT   _C9_    52     1.52785   111.25594  -176.01474
   53    52 S   HC   _H9_    53     1.09616   110.08678    44.54216
   54    52 S   HC   _H10    54     1.09611   110.13544   -73.79967
   55    52 S   C    _C8_    55     1.51827   112.31476   165.51564
   56    55 S   O    _O35    56     1.22798   123.14137    19.32430
   57    55 S   N    _N4_    57     1.38449   111.86537  -162.21328
   58    57 S   H    _H8_    58     1.01595   119.70605     1.95925
   59    57 S   CT1  _C6_    59     1.46671   123.72471   178.32089
   60    59 S   HC   _H4_    60     1.09794   106.70406    30.10694
   61    59 S   CO3  _C7_    61     1.54434   111.38767   147.68385
   62    61 S   O2Z  _O34    62     1.26452   115.87962    35.12607
   63    61 S   O2Z  _O33    63     1.26512   114.83198  -143.68271
   64    59 S   CT   _C5_    64     1.54305   110.43570   -87.67213
   65    64 S   HC   _H3_    65     1.09692   108.46968    53.26345
   66    64 S   CT   _C4_    66     1.52642   112.25804   173.17464
   67    66 S   HC   _H5_    67     1.09478   111.53611    71.95940
   68    66 S   HC   _H6_    68     1.09505   110.44282  -169.88734
   69    66 S   HC   _H7_    69     1.09429   111.37784   -50.33172
   70    64 S   OS   _O36    70     1.42811   109.15849   -63.76134
   71    70 S   P2   _P1_    71     1.62887   120.66568   173.43141
   72    71 S   O2Z  _O39    72     1.51109   109.53203    87.41957
   73    71 S   O2Z  _O37    73     1.51218   110.45758   -48.40535
   74    71 S   OS   _O38    74     1.63165    98.23306  -160.85153
   75    74 S   HO   _H21    75     0.97922   115.70446   -77.47330
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1   9   5   4   9   5   4   9   5   4   9   5   4
   8   5   4   7   4   3   7   3  10   4  12   7   6   2   1  10
   6   5   3   2   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46  
   39    40    41    42    43  
   40    41    42    43  
   41    42    43    44    45    46    47    48    49  
   42    43    44    45    46  
   43    44    45    46  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53    54    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    56    57  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    64  
   57    58    59  
   58    59    60    61    62    63    64    65    66    70  
   59    60    61    64  
   60    61    62    63    64    65    66    67    68    69    70    71  
   61    62    63    64    65    66    70  
   62    63    64    65    66    70  
   63    64  
   64  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    70    71  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   74   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.522
   55    56   570.000  1.229
   55    57   490.000  1.335
   57    58   434.000  1.010
   57    59   337.000  1.449
   59    60   340.000  1.090
   59    61   317.000  1.522
   59    64   268.000  1.529
   61    62   656.000  1.250
   61    63   656.000  1.250
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    70   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    74   230.000  1.697
   74    75   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    75.00000  111.63000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    43    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    80.00000  120.40000
   52    55    57    70.00000  116.60000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  119.80000
   55    57    59    50.00000  121.90000
   57    55    56    80.00000  122.90000
   57    59    60    35.00000  109.50000
   57    59    61    63.00000  110.10000
   57    59    64    80.00000  109.70000
   59    57    58    38.00000  118.40000
   59    61    62    70.00000  117.00000
   59    61    63    70.00000  117.00000
   59    64    65    37.50000  110.70000
   59    64    66    58.35000  112.70000
   59    64    70    50.00000  109.50000
   61    59    60    35.00000  109.50000
   63    61    62    80.00000  126.00000
   64    59    60    37.50000  110.70000
   64    59    61    63.00000  111.10000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    37.50000  110.70000
   64    70    71   100.00000  120.50000
   66    64    65    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    50.00000  109.50000
   70    71    72   100.00000  108.23000
   70    71    73   100.00000  108.23000
   70    71    74    45.00000  102.60000
   71    74    75    45.00000  108.50000
   73    71    72   140.00000  119.90000
   74    71    72   100.00000  108.23000
   74    71    73   100.00000  108.23000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.24000  1.0 3.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    43   0.44750  1.0 1.0
   33    37    40    43  -0.17800 -1.0 2.0
   33    37    40    43   0.20200  1.0 3.0
   37    40    43    44   0.15000  1.0 3.0
   37    40    43    45   0.15000  1.0 3.0
   37    40    43    46   0.56750  1.0 1.0
   37    40    43    46  -0.07550 -1.0 2.0
   37    40    43    46   0.20000  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   38    37    40    43   0.15000  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42   0.15000  1.0 3.0
   39    37    40    43   0.15000  1.0 3.0
   40    43    46    47   0.15000  1.0 3.0
   40    43    46    48   0.15000  1.0 3.0
   40    43    46    49   0.56750  1.0 1.0
   40    43    46    49  -0.07550 -1.0 2.0
   40    43    46    49   0.20000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    45   0.15000  1.0 3.0
   42    40    43    46   0.15000  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    52   0.56750  1.0 1.0
   43    46    49    52  -0.07550 -1.0 2.0
   43    46    49    52   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55  -0.95700  1.0 1.0
   46    49    52    55  -0.18200 -1.0 2.0
   46    49    52    55   0.29450  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    55    56   0.30150 -1.0 2.0
   49    52    55    57   1.39750  1.0 1.0
   49    52    55    57  -0.07950 -1.0 2.0
   49    52    55    57  -0.18750  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55  -0.11250  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55  -0.11250  1.0 3.0
   52    55    57    58   2.45000 -1.0 2.0
   52    55    57    59   1.15000  1.0 1.0
   52    55    57    59   3.04450 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    61  -0.29800  1.0 1.0
   55    57    59    61   0.13950 -1.0 2.0
   55    57    59    61  -2.45650  1.0 3.0
   55    57    59    64   0.25950  1.0 1.0
   55    57    59    64   0.43850 -1.0 2.0
   55    57    59    64   2.61650  1.0 3.0
   56    55    57    58   2.45000 -1.0 2.0
   56    55    57    59   3.04450 -1.0 2.0
   57    59    61    62   0.00000  1.0 1.0
   57    59    61    63   0.00000  1.0 1.0
   57    59    64    65   0.23200  1.0 3.0
   57    59    64    66   0.42250  1.0 1.0
   57    59    64    66  -0.48100 -1.0 2.0
   57    59    64    66   0.35650  1.0 3.0
   57    59    64    70   1.12100  1.0 1.0
   57    59    64    70  -0.16500 -1.0 2.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    64   0.00000  1.0 1.0
   59    64    66    67   0.15000  1.0 3.0
   59    64    66    68   0.15000  1.0 3.0
   59    64    66    69   0.15000  1.0 3.0
   59    64    70    71  -2.65550  1.0 1.0
   59    64    70    71  -0.22350 -1.0 2.0
   59    64    70    71   0.24150  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    70   0.23400  1.0 3.0
   61    59    64    65  -0.03800  1.0 3.0
   61    59    64    66  -0.84850  1.0 1.0
   61    59    64    66  -0.22800 -1.0 2.0
   61    59    64    66   0.29250  1.0 3.0
   61    59    64    70  -3.35100  1.0 1.0
   61    59    64    70  -0.37050 -1.0 2.0
   61    59    64    70   0.22400  1.0 3.0
   64    59    61    62   0.00000  1.0 1.0
   64    59    61    63   0.00000  1.0 1.0
   64    70    71    72   0.00000  1.0 1.0
   64    70    71    73   0.00000  1.0 1.0
   64    70    71    74   0.05050  1.0 1.0
   64    70    71    74  -1.30700 -1.0 2.0
   64    70    71    74   0.91550  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64    70    71   0.03000  1.0 3.0
   66    64    70    71  -2.65550  1.0 1.0
   66    64    70    71  -0.22350 -1.0 2.0
   66    64    70    71   0.24150  1.0 3.0
   70    64    66    67   0.23400  1.0 3.0
   70    64    66    68   0.23400  1.0 3.0
   70    64    66    69   0.23400  1.0 3.0
   70    71    74    75   0.00000  1.0 1.0
   72    71    74    75   0.00000  1.0 1.0
   73    71    74    75   0.00000  1.0 1.0
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
   52    57    55    56  10.50000 -1.0 2.0
   58    55    57    59   1.00000 -1.0 2.0
   62    59    61    63  10.50000 -1.0 2.0
END
