* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    130    195     370
    1     0 S   NP   _N1_     1    29.00349    97.16095   -22.88514
    2     1 S   H    _HN1     2     1.02949    67.42979    18.22876
    3     1 S   H    _H1_     3     1.02827    44.80994   168.74822
    4     1 S   H    _H2_     4     1.02788   101.24890   -87.12574
    5     1 S   CT   _CA1     5     1.50091   144.62807   112.08417
    6     5 S   HC   _HA1     6     1.09582   105.19236    98.25515
    7     5 S   CO3  _C1_     7     1.53767   112.44143   -21.90253
    8     7 S   O2Z  _O11     8     1.26363   115.00965   -44.80723
    9     7 S   O2Z  _O12     9     1.26233   114.90451   134.25168
   10     5 S   CT   _CB1    10     1.53071   107.41087  -143.90168
   11    10 S   HC   HB11    11     1.09832   109.29119   -51.11809
   12    10 S   HC   HB12    12     1.09810   110.50885    65.48024
   13    10 S   CT   _CG1    13     1.52948   112.55055  -172.13953
   14    13 S   HC   HG11    14     1.09562   110.50098   -67.34907
   15    13 S   HC   HG12    15     1.09670   109.82375    51.87754
   16    13 S   C    _CD1    16     1.51764   112.25740   172.52388
   17    16 S   O    _OE1    17     1.22729   123.28927     9.42531
   18    16 S   N    _N2_    18     1.38572   111.63707  -170.78757
   19    18 S   H    _HN2    19     1.01615   118.98112     1.22685
   20    18 S   CT1  _CA2    20     1.46284   123.59400   178.15857
   21    20 S   HC   _HA2    21     1.09720   109.40315     5.61531
   22    20 S   C    _C2_    22     1.53589   109.00380  -110.20120
   23    22 S   O    _O2_    23     1.23084   122.19477  -150.42101
   24    20 S   CT   _CB2    32     1.53256   111.00756   127.68296
   25    24 S   HC   HB21    33     1.09376   108.90207    55.59397
   26    24 S   HC   HB22    34     1.09487   110.89080   174.53575
   27    22 S   N    _N3_    24     1.38299   113.87885    37.09753
   28    27 S   H    _HN3    25     1.01560   119.58396    -3.38223
   29    24 S   S    _SG2    35     1.82679   111.23675   -65.48410
   30    27 S   CT   _CA3    26     1.45271   123.23690   177.22808
   31    30 S   HC   HA31    27     1.09548   107.51911   -64.84430
   32    30 S   HC   HA32    28     1.09559   107.98366    51.60118
   33    29 S   CT   _C16    36     1.83138    99.98542   170.14986
   34    33 S   HC   _H3_    37     1.09411   107.06069    58.67498
   35    30 S   CO3  _C3_    29     1.52961   114.07220   173.62948
   36    35 S   O2Z  _O31    30     1.26377   116.08781     0.59676
   37    35 S   O2Z  _O32    31     1.26429   114.40385  -179.35959
   38    33 S   CO4  _C15    38     1.51378   108.08366   171.93557
   39    38 S   O    _O35    39     1.23076   122.20151   -97.85842
   40    38 S   CM   _C14    40     1.47888   118.36358    77.74044
   41    40 S   HC   _H9_    41     1.08226   115.90736  -159.65313
   42    40 S   CM   _C13    42     1.34322   119.96589    17.05212
   43    42 S   CT   _C11    43     1.53716   123.11839     7.23544
   44    42 S   OS   _O38    68     1.38859   124.01476  -174.24207
   45    43 S   CO4  _C12    44     1.53219   104.64119   126.86864
   46    45 S   O    _O34    45     1.21881   126.76090   -63.16887
   47    43 S   OS   _O33    55     1.45232   108.45555  -121.26982
   48    33 S   CM   _C17    60     1.52508   112.96706   -66.93063
   49    44 S   CT   _C20    69     1.42152   118.47311     1.10003
   50    49 S   HC   _H13    70     1.09406   107.85415   179.17149
   51    49 S   HC   _H14    71     1.09477   111.02546    61.20430
   52    49 S   HC   _H15    72     1.09470   110.96867   -62.91589
   53    45 S   CA   _C8_    46     1.45861   107.28794   114.36174
   54    48 S   CMA  _C18    61     1.37340   120.55967   109.30944
   55    54 S   OM   _O36    62     1.26761   126.08161  -176.91682
   56    53 S   CA   _C7_    47     1.40193   130.68619  -178.54828
   57    56 S   OM   _O39    48     1.27659   125.24733    -0.29475
   58    54 S   OS   _O37    63     1.42143   111.65143     2.84895
   59    56 S   CA   _C6_    49     1.41762   112.34871   179.34181
   60    59 S   HA   _H7_    50     1.09277   118.23545  -179.63256
   61    58 S   CT   _C19    64     1.42741   115.07797  -147.01915
   62    61 S   HC   _H10    65     1.09402   107.71308   171.64024
   63    61 S   HC   _H11    66     1.09530   111.16980    53.54679
   64    61 S   HC   _H12    67     1.09474   110.99637   -70.46911
   65    59 S   CA   _C5_    51     1.41814   124.23298     0.16786
   66    65 S   CA   _C10    52     1.39421   119.58312    -1.20040
   67    66 S   HA   _H8_    53     1.08426   121.27701  -178.37538
   68    65 S   CT   _C4_    56     1.49994   120.04444  -178.22546
   69    68 S   HC   _H4_    57     1.09429   109.98492    85.68883
   70    68 S   HC   _H5_    58     1.09516   110.98719  -153.85524
   71    68 S   HC   _H6_    59     1.09500   110.82645   -34.85425
   72    53 S   CA   _C9_    54     1.39055   104.59493     0.22728
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1   8   4   8   3  13  13   7  10   5   8   6
   3   2   1   1   8   6   2   7   4   4   9   3   3   2   1   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    47    48    54    55    58  
   38    39    40    43    48    54  
   36    37  
   37  
    0  
   39    40    41    42    43    48    54    44  
   40    41    42    48  
   41    42    43    45    47    48    44    49  
   42    43    44  
   43    45    46    53    72    47    48    54    44    49    50    51    52  
   45    46    53    56    66    72    47    48    54    55    58    44    49  
   49    50    51    52    45    47    48  
   46    53    56    57    59    66    72    47    48    54  
   53    56    72    47    48  
   48    54    53    56    65    66    67    72  
   54    55    58    61    53    72  
   50    51    52  
   51    52  
   52  
    0  
   56    57    59    60    65    66    67    72  
   55    58    61    62    63    64  
   58    61  
   57    59    60    65    66    72    68  
   59    60    65    72  
   61    62    63    64  
   60    65    66    67    72    68    69    70    71  
   65    66    68  
   62    63    64  
   63    64  
   64  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.386000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    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  1.522
   33    48   317.000  1.510
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   317.000  1.510
   42    44   440.000  1.360
   43    45   317.000  1.522
   43    47   320.000  1.410
   43    48   317.000  1.510
   45    46   570.000  1.229
   45    53   310.000  1.470
   53    56   469.000  1.400
   53    72   469.000  1.400
   56    57   450.000  1.364
   56    59   469.000  1.400
   59    60   367.000  1.080
   59    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    47   450.000  1.364
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   48    54   465.000  1.376
   54    55   745.000  1.250
   54    58   440.000  1.360
   58    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    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  110.18000
   29    33    48    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    65.00000  117.92700
   33    48    54    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    70.00000  124.00000
   40    42    44    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    45    70.00000  109.06800
   42    43    47    85.00000  110.90400
   42    43    48    70.00000  110.12100
   42    44    49    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    53    65.00000  115.47100
   43    47    72    75.00000  111.00000
   43    48    54    70.00000  124.00000
   45    53    56    60.00000  119.52600
   45    53    72    60.00000  119.52600
   53    45    46    75.00000  123.78400
   53    56    57    70.00000  120.00000
   53    56    59    63.00000  120.00000
   53    72    66    63.00000  120.00000
   53    72    47    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    65    63.00000  120.00000
   59    56    57    70.00000  120.00000
   59    65    66    63.00000  120.00000
   59    65    68    70.00000  120.00000
   65    59    60    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    47    70.00000  120.00000
   72    53    56    63.00000  120.00000
   72    66    67    35.00000  120.00000
   47    43    45    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
   48    33    34    35.00000  109.50000
   48    33    38    70.00000  109.06800
   48    43    45    70.00000  109.06800
   48    43    47    85.00000  110.90400
   48    54    55    65.00000  137.10300
   48    54    58    80.00000  120.01400
   54    58    61    90.00000  111.18400
   58    54    55    65.00000  121.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.30250  1.0 1.0
   29    33    48    43  -0.14950 -1.0 2.0
   29    33    48    43   0.36900  1.0 3.0
   29    33    48    54   0.42700  1.0 1.0
   29    33    48    54  -0.70350 -1.0 2.0
   29    33    48    54  -0.43150  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    48    54    55   7.00000 -1.0 2.0
   33    48    54    58   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.34800  1.0 3.0
   34    33    48    54   0.00000  1.0 1.0
   38    33    48    43   0.17250  1.0 1.0
   38    33    48    43  -0.04100 -1.0 2.0
   38    33    48    43  -0.33850  1.0 3.0
   38    33    48    54  -0.51250  1.0 1.0
   38    33    48    54  -0.88800 -1.0 2.0
   38    33    48    54   0.08850  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    45  -0.51250  1.0 1.0
   40    42    43    45  -0.88800 -1.0 2.0
   40    42    43    45   0.08850  1.0 3.0
   40    42    43    47   0.39000  1.0 1.0
   40    42    43    47  -0.05800 -1.0 2.0
   40    42    43    47  -0.55150  1.0 3.0
   40    42    43    48  -0.28300  1.0 1.0
   40    42    43    48   0.26700 -1.0 2.0
   40    42    43    48  -0.63300  1.0 3.0
   40    42    44    49  -2.26850  1.0 1.0
   40    42    44    49   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    53   0.65300  1.0 1.0
   42    43    45    53  -0.03850 -1.0 2.0
   42    43    45    53   0.33900  1.0 3.0
   42    43    47    72  -0.25600  1.0 1.0
   42    43    47    72  -0.40050 -1.0 2.0
   42    43    47    72   0.34700  1.0 3.0
   42    43   -48    33   0.09700  1.0 1.0
   42    43   -48    33   0.15600 -1.0 2.0
   42    43   -48    33  -0.50800  1.0 3.0
   42    43    48    54  -0.28300  1.0 1.0
   42    43    48    54   0.26700 -1.0 2.0
   42    43    48    54  -0.63300  1.0 3.0
   42    44    49    50   0.08050  1.0 3.0
   42    44    49    51   0.08050  1.0 3.0
   42    44    49    52   0.08050  1.0 3.0
   43    42    44    49   2.00000 -1.0 2.0
   43    45    53    56   2.26350  1.0 1.0
   43    45    53    56   0.76750 -1.0 2.0
   43    45    53    56   0.22500  1.0 3.0
   43    45   -53    72   2.26350  1.0 1.0
   43    45   -53    72   0.76750 -1.0 2.0
   43    45   -53    72   0.22500  1.0 3.0
   43    48    54    55   7.00000 -1.0 2.0
   43    48    54    58   7.00000 -1.0 2.0
   45    43   -47    72  -0.25600  1.0 1.0
   45    43   -47    72  -0.40050 -1.0 2.0
   45    43   -47    72   0.34700  1.0 3.0
   45    43    48    33   0.17250  1.0 1.0
   45    43    48    33  -0.04100 -1.0 2.0
   45    43    48    33  -0.33850  1.0 3.0
   45    43    48    54  -0.51250  1.0 1.0
   45    43    48    54  -0.88800 -1.0 2.0
   45    43    48    54   0.08850  1.0 3.0
   45    53    56    57   3.62500 -1.0 2.0
   45    53    56    59   3.62500 -1.0 2.0
   45    53    72    66   3.62500 -1.0 2.0
   45    53   -72    47   3.62500 -1.0 2.0
   46    45    53    56   1.05000 -1.0 2.0
   46    45    53    72   1.05000 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56    59    65   3.62500 -1.0 2.0
   53    72   -47    43   1.63200 -1.0 2.0
   56    53    72    66   3.62500 -1.0 2.0
   56    53    72    47   3.62500 -1.0 2.0
   56    59   -65    66   3.62500 -1.0 2.0
   56    59    65    68   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    65   3.62500 -1.0 2.0
   59    65    66    67   3.62500 -1.0 2.0
   59    65    66    72   3.62500 -1.0 2.0
   59    65    68    69   0.00000  1.0 1.0
   59    65    68    70   0.00000  1.0 1.0
   59    65    68    71   0.00000  1.0 1.0
   60    59    65    66   3.62500 -1.0 2.0
   60    59    65    68   3.62500 -1.0 2.0
   65    66   -72    53   3.62500 -1.0 2.0
   65    66    72    47   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    47    43   1.63200 -1.0 2.0
   67    66    72    53   3.62500 -1.0 2.0
   67    66    72    47   3.62500 -1.0 2.0
   72    53    56    57   3.62500 -1.0 2.0
   72    53   -56    59   3.62500 -1.0 2.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43   -45    53   0.65300  1.0 1.0
   47    43   -45    53  -0.03850 -1.0 2.0
   47    43   -45    53   0.33900  1.0 3.0
   47    43    48    33   0.09700  1.0 1.0
   47    43    48    33   0.15600 -1.0 2.0
   47    43    48    33  -0.50800  1.0 3.0
   47    43    48    54   0.39000  1.0 1.0
   47    43    48    54  -0.05800 -1.0 2.0
   47    43    48    54  -0.55150  1.0 3.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    43    45    46   0.30150 -1.0 2.0
   48    43    45    53   0.65300  1.0 1.0
   48    43    45    53  -0.03850 -1.0 2.0
   48    43    45    53   0.33900  1.0 3.0
   48    43    47    72  -0.25600  1.0 1.0
   48    43    47    72  -0.40050 -1.0 2.0
   48    43    47    72   0.34700  1.0 3.0
   48    54    58    61  -2.26850  1.0 1.0
   48    54    58    61   3.39050 -1.0 2.0
   54    58    61    62   0.08050  1.0 3.0
   54    58    61    63   0.08050  1.0 3.0
   54    58    61    64   0.08050  1.0 3.0
   55    54    58    61   2.00000 -1.0 2.0
   44    42    43    45   0.09700  1.0 1.0
   44    42    43    45   0.15600 -1.0 2.0
   44    42    43    45  -0.50800  1.0 3.0
   44    42    43    47   0.09700  1.0 1.0
   44    42    43    47   0.15600 -1.0 2.0
   44    42    43    47  -0.50800  1.0 3.0
   44    42    43    48   0.09700  1.0 1.0
   44    42    43    48   0.15600 -1.0 2.0
   44    42    43    48  -0.50800  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    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
   43    53    45    46  10.50000 -1.0 2.0
   56    72    53    45   4.00000 -1.0 2.0
   59    57    56    53   4.00000 -1.0 2.0
   65    60    59    56   1.10000 -1.0 2.0
   66    68    65    59   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    47    72    53   4.00000 -1.0 2.0
   33    43    48    54   1.10000 -1.0 2.0
   55    58    54    48   1.10000 -1.0 2.0
END
