* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    142    231     415
    1     0 S   NP   _N1_     1    28.17037    97.47381   -22.25258
    2     1 S   H    _HN1     2     1.02833    34.89985   123.46632
    3     1 S   H    _H1_     3     1.02772   106.84095  -139.24396
    4     1 S   H    _H2_     4     1.02949    74.73838   -34.29445
    5     1 S   CT   _CA1     5     1.50185   135.82445    69.46151
    6     5 S   HC   _HA1     6     1.09575   105.18204    89.18352
    7     5 S   CO3  _C1_     7     1.53807   111.97467   -30.92913
    8     7 S   O2Z  _O11     8     1.26384   115.00095   -49.98722
    9     7 S   O2Z  _O12     9     1.26205   114.93487   128.52645
   10     5 S   CT   _CB1    10     1.53062   107.33510  -153.00472
   11    10 S   HC   HB11    11     1.09839   109.45240   -49.15242
   12    10 S   HC   HB12    12     1.09807   110.45751    67.41944
   13    10 S   CT   _CG1    13     1.53034   112.62830  -170.05039
   14    13 S   HC   HG11    14     1.09583   110.63118   -64.10776
   15    13 S   HC   HG12    15     1.09655   109.83110    55.12331
   16    13 S   C    _CD1    16     1.51858   111.95509   175.66971
   17    16 S   O    _OE1    17     1.22813   123.21607     8.78792
   18    16 S   N    _N2_    18     1.38437   112.00707  -171.57007
   19    18 S   H    _HN2    19     1.01848   119.37077    -0.62994
   20    18 S   CT1  _CA2    20     1.45828   122.77100  -179.34988
   21    20 S   HC   _HA2    21     1.09745   108.37355    34.97833
   22    20 S   C    _C2_    22     1.53008   107.72320   -82.39180
   23    22 S   O    _O2_    23     1.22960   123.24644   -26.12404
   24    20 S   CT   _CB2    32     1.53183   112.11668   157.83364
   25    24 S   HC   HB21    33     1.09520   109.73801    59.06195
   26    24 S   HC   HB22    34     1.09532   110.62091   177.34325
   27    22 S   N    _N3_    24     1.38561   112.43459   156.43841
   28    27 S   H    _HN3    25     1.01641   120.30778    -2.00877
   29    24 S   S    _SG2    35     1.82700   111.13211   -62.78361
   30    27 S   CT   _CA3    26     1.45338   122.49266   178.62655
   31    30 S   HC   HA31    27     1.09566   107.77632   -56.71400
   32    30 S   HC   HA32    28     1.09563   107.64400    59.61862
   33    29 S   CT   _C10    36     1.82808    99.38351   161.67437
   34    33 S   HC   _H3_    37     1.09864   104.64958    47.25549
   35    30 S   CO3  _C3_    29     1.52891   114.32144  -178.57866
   36    35 S   O2Z  _O31    30     1.26341   116.07450     0.43024
   37    35 S   O2Z  _O32    31     1.26444   114.41794  -179.57989
   38    33 S   CM   _C8_    38     1.52807   116.76321   -71.99700
   39    33 S   CT   _C11    53     1.54478   111.46068   163.56250
   40    39 S   HC   _H4_    54     1.10074   108.44471    63.06058
   41    38 S   C3T  _C7_    39     1.49216   110.06731   165.30420
   42    38 S   CMA  _C9_    70     1.35946   129.19541   -17.06787
   43    42 S   OM   _O33    71     1.25850   135.27841    -0.03956
   44    42 S   HC   _H11    72     1.09354   111.16594  -179.11618
   45    41 S   C3T  _C6_    40     1.50605   117.40788   108.91632
   46    45 S   HC   _H9_    41     1.08547   118.79348     1.66272
   47    45 S   HC   _H10    42     1.08504   118.32264   143.91616
   48    41 S   CO4  _C18    67     1.48514   112.93062  -105.34465
   49    48 S   O    _O34    68     1.22549   121.77155    74.24350
   50    48 S   HC   _H22    69     1.10274   116.43356  -105.34283
   51    41 S   C3T  _C5_    43     1.53474   117.12457    40.62416
   52    51 S   CT   _C12    44     1.53560   118.64150     2.86225
   53    52 S   HC   _H5_    45     1.09957   106.34227   101.11265
   54    51 S   CT   _C4_    63     1.51326   118.86399  -149.16139
   55    54 S   HC   _H6_    64     1.09437   110.65056    81.22981
   56    54 S   HC   _H7_    65     1.09581   112.24517   -38.44479
   57    54 S   HC   _H8_    66     1.09472   110.79312  -157.67039
   58    52 S   CT   _C13    46     1.53747   115.78291  -140.90315
   59    58 S   HC   _H12    47     1.09561   111.76652   -78.18909
   60    58 S   HC   _H13    48     1.09668   110.67609    41.69102
   61    58 S   CT   _C14    49     1.53323   105.05456   159.70790
   62    61 S   CT   _C15    50     1.53240   101.06983   -42.42407
   63    62 S   HC   _H14    51     1.09784   109.74992   -81.25547
   64    62 S   HC   _H15    52     1.09586   112.11914   159.55957
   65    61 S   CT   _C16    55     1.53693   112.14433    76.48363
   66    65 S   HC   _H16    56     1.09574   110.82482    61.64909
   67    65 S   HC   _H17    57     1.09427   112.66889   -58.91138
   68    65 S   HC   _H18    58     1.09600   110.76306  -178.85414
   69    61 S   CT   _C17    59     1.53130   111.36954  -161.04280
   70    69 S   HC   _H19    60     1.09562   110.98990   -64.27527
   71    69 S   HC   _H20    61     1.09562   111.03011   175.55340
   72    69 S   HC   _H21    62     1.09574   111.54236    55.63230
  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   9   5   4   3
  18   7   2   1   1  16  17   8  17   5   1   1  13   5   4   5
   2   1  11  14   6   4   2   1   1  14   5   4  11  10   3   2
   7   3   2   1   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    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    52    62    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    51    52    53    58    61    62    63    64    39    40    48    42    43    44  
   38    41    52    62    39    40    42  
   36    37  
   37  
    0  
   41    45    46    47    51    52    62    39    40    54    48    49    50    42    43    44  
   40    65    69    54    42    41    45    51    52    53    58    59    60    61    62    63    64  
   51    52    53    58    61    62    63    64  
   45    46    47    51    52    53    58    54    55    56    57    48    49    50    42    43    44  
   43    44    45    48    51  
   44  
    0  
   46    47    51    52    53    58    54    55    56    57    48    49    50  
   47    51    52    54    48  
   51    52    54    48  
   49    50    51    52    54  
   50    51  
   51  
   52    53    58    59    60    61    62    54    55    56    57  
   53    58    59    60    61    62    63    64    65    69    54    55    56    57  
   58    59    60    61    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69    70    71    72  
   60    61    62    65    69  
   61    62    65    69  
   62    63    64    65    66    67    68    69    70    71    72  
   63    64    65    66    67    68    69    70    71    72  
   64    65    69  
   65    69  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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   0.107500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.082800   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   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    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   268.000  1.529
   38    41   305.000  1.480
   38    42   465.000  1.376
   41    45   260.000  1.509
   41    51   260.000  1.509
   41    48   290.000  1.496
   45    46   340.000  1.088
   45    47   340.000  1.088
   45    51   260.000  1.509
   51    52   275.000  1.510
   51    54   275.000  1.510
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    39   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    65   268.000  1.529
   61    69   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   42    43   745.000  1.250
   42    44   335.000  1.111
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    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    52    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.58800
   38    41    51    60.00000  120.58800
   38    41    48    70.00000  109.06800
   38    42    43    65.00000  137.10300
   38    42    44    45.00000  105.30000
   41    45    46    37.50000  117.20000
   41    45    47    37.50000  117.20000
   41    45    51    10.00000   60.00500
   41    51    45    10.00000   60.00500
   41    51    52    60.00000  120.94000
   41    51    54    60.00000  120.94000
   41    48    49    75.00000  121.36600
   41    48    50    40.00000  115.82000
   45    51    52    60.00000  120.94000
   45    51    54    60.00000  120.94000
   47    45    46    35.00000  114.30000
   51    41    45    10.00000   60.00500
   51    45    46    37.50000  117.20000
   51    45    47    37.50000  117.20000
   51    52    53    45.00000  109.38400
   51    52    58    70.00000  112.37300
   51    52    39    70.00000  112.37300
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    39    62    58.35000  112.70000
   52    39    40    37.50000  110.70000
   58    52    53    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    65    58.35000  112.70000
   58    61    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    39    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   62    39    40    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    52    53    37.50000  110.70000
   39    52    58    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   65    61    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    58.35000  112.70000
   69    61    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    41    45    65.00000  117.18000
   48    41    51    65.00000  117.18000
   50    48    49    35.00000  123.00000
   42    38    41    55.00000  125.06700
   44    42    43    50.00000  124.16400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    52   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    38    41    45   0.46850  1.0 1.0
   33    38    41    45   0.08550 -1.0 2.0
   33    38    41    45   0.09800  1.0 3.0
   33    38    41    51   0.46850  1.0 1.0
   33    38    41    51   0.08550 -1.0 2.0
   33    38    41    51   0.09800  1.0 3.0
   33    38    41    48   0.17250  1.0 1.0
   33    38    41    48  -0.04100 -1.0 2.0
   33    38    41    48  -0.33850  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    52   0.15000  1.0 3.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   38    33    39    52   0.34400  1.0 1.0
   38    33    39    52   0.09450 -1.0 2.0
   38    33    39    52   0.11100  1.0 3.0
   38    33    39    62   0.34400  1.0 1.0
   38    33    39    62   0.09450 -1.0 2.0
   38    33    39    62   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41   -45    51   0.34400  1.0 1.0
   38    41   -45    51   0.09450 -1.0 2.0
   38    41   -45    51   0.11100  1.0 3.0
   38    41   -51    45   0.34400  1.0 1.0
   38    41   -51    45   0.09450 -1.0 2.0
   38    41   -51    45   0.11100  1.0 3.0
   38    41   -51    52   0.34400  1.0 1.0
   38    41   -51    52   0.09450 -1.0 2.0
   38    41   -51    52   0.11100  1.0 3.0
   38    41    51    54   0.34400  1.0 1.0
   38    41    51    54   0.09450 -1.0 2.0
   38    41    51    54   0.11100  1.0 3.0
   38    41    48    49   0.30150 -1.0 2.0
   38    41    48    50   0.81450  1.0 1.0
   38    41    48    50  -0.29600 -1.0 2.0
   38    41    48    50   0.60450  1.0 3.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    44   7.00000 -1.0 2.0
   41    45   -51    52   0.07850  1.0 1.0
   41    45   -51    52  -0.03950 -1.0 2.0
   41    45   -51    52   0.67350  1.0 3.0
   41    45   -51    54   0.07850  1.0 1.0
   41    45   -51    54  -0.03950 -1.0 2.0
   41    45   -51    54   0.67350  1.0 3.0
   41    51    52    53   0.15000  1.0 3.0
   41    51    52    58   0.07850  1.0 1.0
   41    51    52    58  -0.03950 -1.0 2.0
   41    51    52    58   0.67350  1.0 3.0
   41    51    52    39   0.07850  1.0 1.0
   41    51    52    39  -0.03950 -1.0 2.0
   41    51    52    39   0.67350  1.0 3.0
   41    51    54    55   0.15000  1.0 3.0
   41    51    54    56   0.15000  1.0 3.0
   41    51    54    57   0.15000  1.0 3.0
   45    41   -51    52   0.07850  1.0 1.0
   45    41   -51    52  -0.03950 -1.0 2.0
   45    41   -51    52   0.67350  1.0 3.0
   45    41   -51    54   0.07850  1.0 1.0
   45    41   -51    54  -0.03950 -1.0 2.0
   45    41   -51    54   0.67350  1.0 3.0
   45    41    48    49   0.30150 -1.0 2.0
   45    41    48    50   0.74550  1.0 1.0
   45    41    48    50  -0.00500 -1.0 2.0
   45    51    52    53   0.15000  1.0 3.0
   45    51    52    58   0.07850  1.0 1.0
   45    51    52    58  -0.03950 -1.0 2.0
   45    51    52    58   0.67350  1.0 3.0
   45    51    52    39   0.07850  1.0 1.0
   45    51    52    39  -0.03950 -1.0 2.0
   45    51    52    39   0.67350  1.0 3.0
   45    51    54    55   0.15000  1.0 3.0
   45    51    54    56   0.15000  1.0 3.0
   45    51    54    57   0.15000  1.0 3.0
   46    45   -51    41   0.15000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   47    45   -51    41   0.15000  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    54   0.15000  1.0 3.0
   51    41   -45    46   0.15000  1.0 3.0
   51    41   -45    47   0.15000  1.0 3.0
   51    41    48    49   0.30150 -1.0 2.0
   51    41    48    50   0.74550  1.0 1.0
   51    41    48    50  -0.00500 -1.0 2.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    58    61   0.47050  1.0 1.0
   51    52    58    61   0.03900 -1.0 2.0
   51    52    58    61   0.20100  1.0 3.0
   51    52   -39    33   0.47050  1.0 1.0
   51    52   -39    33   0.03900 -1.0 2.0
   51    52   -39    33   0.20100  1.0 3.0
   51    52    39    62   0.47050  1.0 1.0
   51    52    39    62   0.03900 -1.0 2.0
   51    52    39    62   0.20100  1.0 3.0
   51    52    39    40   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58   -61    62   0.56750  1.0 1.0
   52    58   -61    62  -0.07550 -1.0 2.0
   52    58   -61    62   0.20000  1.0 3.0
   52    58    61    65   0.56750  1.0 1.0
   52    58    61    65  -0.07550 -1.0 2.0
   52    58    61    65   0.20000  1.0 3.0
   52    58    61    69   0.56750  1.0 1.0
   52    58    61    69  -0.07550 -1.0 2.0
   52    58    61    69   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    39    33   0.15000  1.0 3.0
   53    52    39    62   0.15000  1.0 3.0
   53    52    39    40   0.15000  1.0 3.0
   58    52    39    33   0.56750  1.0 1.0
   58    52    39    33  -0.07550 -1.0 2.0
   58    52    39    33   0.20000  1.0 3.0
   58    52   -39    62   0.56750  1.0 1.0
   58    52   -39    62  -0.07550 -1.0 2.0
   58    52   -39    62   0.20000  1.0 3.0
   58    52    39    40   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61   -62    39   0.56750  1.0 1.0
   58    61   -62    39  -0.07550 -1.0 2.0
   58    61   -62    39   0.20000  1.0 3.0
   58    61    65    66   0.15000  1.0 3.0
   58    61    65    67   0.15000  1.0 3.0
   58    61    65    68   0.15000  1.0 3.0
   58    61    69    70   0.15000  1.0 3.0
   58    61    69    71   0.15000  1.0 3.0
   58    61    69    72   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    61    69   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    65   0.15000  1.0 3.0
   60    58    61    69   0.15000  1.0 3.0
   61    62    39    33   0.56750  1.0 1.0
   61    62    39    33  -0.07550 -1.0 2.0
   61    62    39    33   0.20000  1.0 3.0
   61    62   -39    52   0.56750  1.0 1.0
   61    62   -39    52  -0.07550 -1.0 2.0
   61    62   -39    52   0.20000  1.0 3.0
   61    62    39    40   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    52   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    52   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    52    58    59   0.15000  1.0 3.0
   39    52    58    60   0.15000  1.0 3.0
   39    52   -58    61   0.56750  1.0 1.0
   39    52   -58    61  -0.07550 -1.0 2.0
   39    52   -58    61   0.20000  1.0 3.0
   65    61    62    63   0.15000  1.0 3.0
   65    61    62    64   0.15000  1.0 3.0
   65    61    62    39   0.56750  1.0 1.0
   65    61    62    39  -0.07550 -1.0 2.0
   65    61    62    39   0.20000  1.0 3.0
   65    61    69    70   0.15000  1.0 3.0
   65    61    69    71   0.15000  1.0 3.0
   65    61    69    72   0.15000  1.0 3.0
   69    61    62    63   0.15000  1.0 3.0
   69    61    62    64   0.15000  1.0 3.0
   69    61    62    39   0.56750  1.0 1.0
   69    61    62    39  -0.07550 -1.0 2.0
   69    61    62    39   0.20000  1.0 3.0
   69    61    65    66   0.15000  1.0 3.0
   69    61    65    67   0.15000  1.0 3.0
   69    61    65    68   0.15000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    39   0.56750  1.0 1.0
   54    51    52    39  -0.07550 -1.0 2.0
   54    51    52    39   0.20000  1.0 3.0
   48    41    45    46   0.15000  1.0 3.0
   48    41    45    47   0.15000  1.0 3.0
   48    41   -45    51  -0.95700  1.0 1.0
   48    41   -45    51  -0.18200 -1.0 2.0
   48    41   -45    51   0.29450  1.0 3.0
   48    41   -51    45  -0.95700  1.0 1.0
   48    41   -51    45  -0.18200 -1.0 2.0
   48    41   -51    45   0.29450  1.0 3.0
   48    41    51    52  -0.95700  1.0 1.0
   48    41    51    52  -0.18200 -1.0 2.0
   48    41    51    52   0.29450  1.0 3.0
   48    41    51    54  -0.95700  1.0 1.0
   48    41    51    54  -0.18200 -1.0 2.0
   48    41    51    54   0.29450  1.0 3.0
   42    38    41    45   0.09850  1.0 1.0
   42    38    41    45   0.15250 -1.0 2.0
   42    38    41    45  -0.50650  1.0 3.0
   42    38    41    51   0.09850  1.0 1.0
   42    38    41    51   0.15250 -1.0 2.0
   42    38    41    51  -0.50650  1.0 3.0
   42    38    41    48  -0.51250  1.0 1.0
   42    38    41    48  -0.88800 -1.0 2.0
   42    38    41    48   0.08850  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
