* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    130    198     373
    1     0 S   NP   _N1_     1    28.76083    96.73725   -23.65433
    2     1 S   H    _HN1     2     1.02829    39.13970   169.57109
    3     1 S   H    _H1_     3     1.02794   109.16328   -95.38206
    4     1 S   H    _H2_     4     1.02948    69.74704     7.75750
    5     1 S   CT   _CA1     5     1.50130   135.68015   106.64364
    6     5 S   HC   _HA1     6     1.09575   105.16453    96.22832
    7     5 S   CO3  _C1_     7     1.53767   112.41834   -23.96676
    8     7 S   O2Z  _O11     8     1.26374   115.01155   -43.47365
    9     7 S   O2Z  _O12     9     1.26233   114.93580   135.50045
   10     5 S   CT   _CB1    10     1.53058   107.39796  -145.83725
   11    10 S   HC   HB11    11     1.09842   109.31715   -49.54264
   12    10 S   HC   HB12    12     1.09811   110.47991    67.04035
   13    10 S   CT   _CG1    13     1.53024   112.65223  -170.48624
   14    13 S   HC   HG11    14     1.09573   110.71044   -67.04203
   15    13 S   HC   HG12    15     1.09669   109.72371    52.21717
   16    13 S   C    _CD1    16     1.51817   112.00024   172.66193
   17    16 S   O    _OE1    17     1.22755   123.18366    10.98948
   18    16 S   N    _N2_    18     1.38651   111.84189  -168.93431
   19    18 S   H    _HN2    19     1.01583   118.99172     1.22573
   20    18 S   CT1  _CA2    20     1.46242   123.36666   176.88718
   21    20 S   HC   _HA2    21     1.09742   109.27046     8.15687
   22    20 S   C    _C2_    22     1.53696   108.98500  -107.38579
   23    22 S   O    _O2_    23     1.23090   122.20190  -149.37527
   24    20 S   CT   _CB2    32     1.53471   111.60445   130.12012
   25    24 S   HC   HB21    33     1.09470   109.55729    56.71350
   26    24 S   HC   HB22    34     1.09404   109.68148   175.46490
   27    22 S   N    _N3_    24     1.38294   113.93332    38.14517
   28    27 S   H    _HN3    25     1.01540   119.63859    -3.22361
   29    24 S   S    _SG2    35     1.83179   111.10902   -64.42081
   30    27 S   CT   _CA3    26     1.45290   123.28326   177.19991
   31    30 S   HC   HA31    27     1.09548   107.50442   -64.99877
   32    30 S   HC   HA32    28     1.09555   108.01170    51.46708
   33    29 S   CT   _C17    36     1.87840   101.75560  -178.82914
   34    30 S   CO3  _C3_    29     1.52978   114.02922   173.46847
   35    34 S   O2Z  _O31    30     1.26385   116.06597    -0.62055
   36    34 S   O2Z  _O32    31     1.26421   114.42611   179.44433
   37    33 S   CM   _C16    37     1.52226   105.64688   -63.70608
   38    37 S   HC   _H9_    38     1.08965   117.88617    85.19270
   39    33 S   CO4  _C18    66     1.54110   109.12263    53.63078
   40    39 S   O    _O35    67     1.22622   124.77060  -129.92671
   41    37 S   CMA  _C15    39     1.34915   123.96899   -94.74736
   42    41 S   OM   _O37    40     1.25927   130.69083   179.53775
   43    39 S   OS   _O36    68     1.36735   110.94794    52.02910
   44    41 S   CM   _C14    41     1.46396   117.89174     1.49043
   45    44 S   HC   _H8_    42     1.08764   117.13458   163.27570
   46    43 S   CT   _C19    69     1.43005   115.68064   177.30223
   47    46 S   HC   _H10    70     1.09322   108.07059  -179.12688
   48    46 S   HC   _H11    71     1.09407   110.24103    62.16976
   49    46 S   HC   _H12    72     1.09423   110.29361   -60.50069
   50    44 S   CM   _C13    43     1.35068   122.60970   -18.24589
   51    33 S   CT   _C11    44     1.57299   113.02124   176.38123
   52    50 S   OS   _O38    61     1.38147   125.87291  -177.07036
   53    51 S   CO4  _C12    45     1.53452   114.12824   -50.53168
   54    53 S   O    _O34    46     1.21810   127.18196    67.65136
   55    51 S   OS   _O33    56     1.46463   108.78615  -165.72504
   56    52 S   CT   _C20    62     1.42135   118.03552    -1.48648
   57    56 S   HC   _H13    63     1.09410   107.85962  -179.50189
   58    56 S   HC   _H14    64     1.09478   111.00692    62.57512
   59    56 S   HC   _H15    65     1.09482   111.01907   -61.56061
   60    53 S   CA   _C8_    47     1.45534   108.11791  -114.13536
   61    60 S   CA   _C7_    48     1.40177   130.72655   177.25812
   62    61 S   OM   _O39    49     1.27625   125.19658    -0.11869
   63    61 S   CA   _C6_    50     1.41720   112.42514   179.98022
   64    63 S   HA   _H6_    51     1.09284   118.26318  -179.56659
   65    63 S   CA   _C5_    52     1.41746   124.16548     0.53008
   66    65 S   CA   _C10    53     1.39412   119.51977    -1.14876
   67    66 S   HA   _H7_    54     1.08476   121.42837  -179.10300
   68    65 S   CT   _C4_    57     1.49976   119.96810  -178.59444
   69    68 S   HC   _H3_    58     1.09430   109.98388    84.69042
   70    68 S   HC   _H4_    59     1.09512   111.02692  -154.87981
   71    68 S   HC   _H5_    60     1.09506   110.79965   -35.86356
   72    60 S   CA   _C9_    55     1.38580   104.58959    -2.76761
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  12   5  11   3   6   3   5   7   3   3   2   1
   1  11   9   6   8   4   6   3   2   1   1   8   7   4   9   3
   7   6   2   4   2   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    51    53    55    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    50    51    53    54    60    72    55    52    39    40    43    46  
   35    36  
   36  
    0  
   38    41    42    44    45    50    51    53    55    39    40    43  
   41    42    44    51    39  
   40    43    46    47    48    49    41    50    51    53    55  
   43    46    51  
   42    44    45    50    51    52  
   44    45    50  
   46    47    48    49    51  
   45    50    51    53    55    52    56  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    53    54    60    72    55    52    56    57    58    59  
   53    54    60    61    66    72    55    52    56  
   56    57    58    59    53    55  
   54    60    61    62    63    66    72    55  
   60    61    72    55  
   60    61    65    66    67    72  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    72  
   62    63    64    65    66    72    68  
   63    64    65    72  
   64    65    66    67    72    68    69    70    71  
   65    66    68  
   66    67    72    68    69    70    71  
   67    72    68    69    70    71  
   72    68  
   69    70    71    72  
   70    71  
   71  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   268.000  1.529
   33    39   317.000  1.522
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    45   340.000  1.080
   44    50   549.000  1.340
   50    51   317.000  1.510
   50    52   440.000  1.360
   51    53   317.000  1.522
   51    55   320.000  1.410
   53    54   570.000  1.229
   53    60   310.000  1.470
   60    61   469.000  1.400
   60    72   469.000  1.400
   61    62   450.000  1.364
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    55   450.000  1.364
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   570.000  1.229
   39    43   214.000  1.327
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  110.18000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    51    50    70.00000  112.02700
   33    51    53    63.00000  111.10000
   33    51    55    50.00000  109.50000
   33    39    40    80.00000  120.40000
   33    39    43    81.00000  111.40000
   37    41    42    65.00000  137.10300
   37    41    44    70.00000  123.01800
   41    37    38    40.00000  120.50800
   41    44    45    40.00000  120.50800
   41    44    50    70.00000  117.34000
   44    41    42    65.00000  137.10300
   44    50    51    70.00000  124.00000
   44    50    52    80.00000  120.01400
   50    44    45    35.00000  120.00000
   50    51    53    70.00000  109.06800
   50    51    55    85.00000  110.90400
   50    52    56    90.00000  111.18400
   51    33    37    70.00000  112.02700
   51    53    54    80.00000  120.40000
   51    53    60    65.00000  115.47100
   51    55    72    75.00000  111.00000
   53    60    61    60.00000  119.52600
   53    60    72    60.00000  119.52600
   60    53    54    75.00000  123.78400
   60    61    62    70.00000  120.00000
   60    61    63    63.00000  120.00000
   60    72    66    63.00000  120.00000
   60    72    55    70.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    70.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    68    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    55    70.00000  120.00000
   72    60    61    63.00000  120.00000
   72    66    67    35.00000  120.00000
   55    51    53    90.00000  108.74100
   68    65    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    50    51    85.00000  112.85300
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    70.00000  109.06800
   39    33    51    63.00000  111.10000
   39    43    46    83.00000  116.90000
   43    39    40    83.00000  123.40000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    51    50   0.56750  1.0 1.0
   29    33    51    50  -0.07550 -1.0 2.0
   29    33    51    50   0.20000  1.0 3.0
   29    33    51    53   0.56750  1.0 1.0
   29    33    51    53  -0.07550 -1.0 2.0
   29    33    51    53   0.20000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    43   0.40000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    51    53    54   0.30150 -1.0 2.0
   33    51    53    60   0.05850 -1.0 2.0
   33    51    53    60   0.17250  1.0 3.0
   33    51    55    72  -0.32850  1.0 1.0
   33    51    55    72  -0.35800 -1.0 2.0
   33    51    55    72   0.33950  1.0 3.0
   33    39    43    46   1.63150  1.0 1.0
   33    39    43    46   2.92000 -1.0 2.0
   37    33    51    50   0.31000  1.0 1.0
   37    33    51    50   0.14700 -1.0 2.0
   37    33    51    50   0.07550  1.0 3.0
   37    33    51    53  -0.98800  1.0 1.0
   37    33    51    53   0.48800 -1.0 2.0
   37    33    51    53   0.76800  1.0 3.0
   37    33    51    55   0.61850  1.0 1.0
   37    33    51    55  -0.22750 -1.0 2.0
   37    33    51    55   0.15300  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    43   0.40000  1.0 3.0
   37    41    44    45   7.00000 -1.0 2.0
   37    41   -44    50   7.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    44    50    51   7.00000 -1.0 2.0
   41    44    50    52   7.00000 -1.0 2.0
   42    41    44    45   7.00000 -1.0 2.0
   42    41    44    50   7.00000 -1.0 2.0
   44    50   -51    33   0.09850  1.0 1.0
   44    50   -51    33   0.15250 -1.0 2.0
   44    50   -51    33  -0.50650  1.0 3.0
   44    50    51    53  -0.51250  1.0 1.0
   44    50    51    53  -0.88800 -1.0 2.0
   44    50    51    53   0.08850  1.0 3.0
   44    50    51    55   0.39000  1.0 1.0
   44    50    51    55  -0.05800 -1.0 2.0
   44    50    51    55  -0.55150  1.0 3.0
   44    50    52    56  -2.26850  1.0 1.0
   44    50    52    56   3.39050 -1.0 2.0
   45    44    50    51   7.00000 -1.0 2.0
   45    44    50    52   7.00000 -1.0 2.0
   50    51    53    54   0.30150 -1.0 2.0
   50    51    53    60   0.65300  1.0 1.0
   50    51    53    60  -0.03850 -1.0 2.0
   50    51    53    60   0.33900  1.0 3.0
   50    51    55    72  -0.25600  1.0 1.0
   50    51    55    72  -0.40050 -1.0 2.0
   50    51    55    72   0.34700  1.0 3.0
   50    52    56    57   0.08050  1.0 3.0
   50    52    56    58   0.08050  1.0 3.0
   50    52    56    59   0.08050  1.0 3.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    41   0.09850  1.0 1.0
   51    33   -37    41   0.15250 -1.0 2.0
   51    33   -37    41  -0.50650  1.0 3.0
   51    33    39    40   0.30150 -1.0 2.0
   51    33    39    43   0.36750  1.0 3.0
   51    50    52    56   2.00000 -1.0 2.0
   51    53    60    61   2.26350  1.0 1.0
   51    53    60    61   0.76750 -1.0 2.0
   51    53    60    61   0.22500  1.0 3.0
   51    53   -60    72   2.26350  1.0 1.0
   51    53   -60    72   0.76750 -1.0 2.0
   51    53   -60    72   0.22500  1.0 3.0
   53    51   -55    72  -0.25600  1.0 1.0
   53    51   -55    72  -0.40050 -1.0 2.0
   53    51   -55    72   0.34700  1.0 3.0
   53    60    61    62   3.62500 -1.0 2.0
   53    60    61    63   3.62500 -1.0 2.0
   53    60    72    66   3.62500 -1.0 2.0
   53    60   -72    55   3.62500 -1.0 2.0
   54    53    60    61   1.05000 -1.0 2.0
   54    53    60    72   1.05000 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   60    72   -55    51   1.63200 -1.0 2.0
   61    60    72    66   3.62500 -1.0 2.0
   61    60    72    55   3.62500 -1.0 2.0
   61    63   -65    66   3.62500 -1.0 2.0
   61    63    65    68   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    72   3.62500 -1.0 2.0
   63    65    68    69   0.00000  1.0 1.0
   63    65    68    70   0.00000  1.0 1.0
   63    65    68    71   0.00000  1.0 1.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    68   3.62500 -1.0 2.0
   65    66   -72    60   3.62500 -1.0 2.0
   65    66    72    55   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    55    51   1.63200 -1.0 2.0
   67    66    72    60   3.62500 -1.0 2.0
   67    66    72    55   3.62500 -1.0 2.0
   72    60    61    62   3.62500 -1.0 2.0
   72    60   -61    63   3.62500 -1.0 2.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51   -53    60   0.65300  1.0 1.0
   55    51   -53    60  -0.03850 -1.0 2.0
   55    51   -53    60   0.33900  1.0 3.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   52    50    51    33   0.09700  1.0 1.0
   52    50    51    33   0.15600 -1.0 2.0
   52    50    51    33  -0.50800  1.0 3.0
   52    50    51    53   0.09700  1.0 1.0
   52    50    51    53   0.15600 -1.0 2.0
   52    50    51    53  -0.50800  1.0 3.0
   52    50    51    55   0.09700  1.0 1.0
   52    50    51    55   0.15600 -1.0 2.0
   52    50    51    55  -0.50800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -0.51250  1.0 1.0
   39    33    37    41  -0.88800 -1.0 2.0
   39    33    37    41   0.08850  1.0 3.0
   39    33    51    50  -0.98800  1.0 1.0
   39    33    51    50   0.48800 -1.0 2.0
   39    33    51    50   0.76800  1.0 3.0
   39    33    51    53   0.11950  1.0 1.0
   39    33    51    53   0.20300 -1.0 2.0
   39    33    51    53  -0.70800  1.0 3.0
   39    33    51    55  -0.09450  1.0 1.0
   39    33    51    55  -1.12950 -1.0 2.0
   39    33    51    55   0.54000  1.0 3.0
   39    43    46    47   0.08050  1.0 3.0
   39    43    46    48   0.08050  1.0 3.0
   39    43    46    49   0.08050  1.0 3.0
   40    39    43    46   3.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    45    44    50   1.10000 -1.0 2.0
   51    52    50    44   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
   61    72    60    53   4.00000 -1.0 2.0
   63    62    61    60   4.00000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    68    65    63   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    55    72    60   4.00000 -1.0 2.0
   33    43    39    40  10.50000 -1.0 2.0
END
