* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    134    211     387
    1     0 S   NP   _N1_     1    28.78178    96.56609   -24.05430
    2     1 S   H    _HN1     2     1.02785   108.82871   -91.60587
    3     1 S   H    _H1_     3     1.02950    71.65089    12.13992
    4     1 S   H    _H2_     4     1.02827    37.28297   173.33697
    5     1 S   CT   _CA1     5     1.50118   135.21441   112.91047
    6     5 S   HC   _HA1     6     1.09575   105.18739    93.52609
    7     5 S   CO3  _C1_     7     1.53782   112.45292   -26.68212
    8     7 S   O2Z  _O11     8     1.26370   115.00344   -42.72940
    9     7 S   O2Z  _O12     9     1.26241   114.93813   136.35421
   10     5 S   CT   _CB1    10     1.53072   107.40800  -148.52309
   11    10 S   HC   HB11    11     1.09834   109.33453   -49.89605
   12    10 S   HC   HB12    12     1.09813   110.46427    66.70147
   13    10 S   CT   _CG1    13     1.52990   112.61908  -170.88436
   14    13 S   HC   HG11    14     1.09583   110.61972   -66.07800
   15    13 S   HC   HG12    15     1.09671   109.79346    53.15710
   16    13 S   C    _CD1    16     1.51805   112.21212   173.57178
   17    16 S   O    _OE1    17     1.22732   123.27031     6.66197
   18    16 S   N    _N2_    18     1.38653   111.67266  -173.28315
   19    18 S   H    _HN2    19     1.01569   118.94205     1.61083
   20    18 S   CT1  _CA2    20     1.46232   123.42267   177.54752
   21    20 S   HC   _HA2    21     1.09737   109.35030     4.14775
   22    20 S   C    _C2_    22     1.53585   108.56088  -111.34372
   23    22 S   O    _O2_    23     1.23059   122.32392  -147.29443
   24    20 S   CT   _CB2    32     1.53373   111.60268   126.16840
   25    24 S   HC   HB21    33     1.09487   109.87408    56.66584
   26    24 S   HC   HB22    34     1.09511   110.06618   175.72460
   27    22 S   N    _N3_    24     1.38345   113.71859    40.10272
   28    27 S   H    _HN3    25     1.01574   119.58303    -3.16582
   29    24 S   S    _SG2    35     1.82677   111.39240   -64.37269
   30    27 S   CT   _CA3    26     1.45286   123.22935   177.20264
   31    30 S   HC   HA31    27     1.09549   107.49837   -64.91481
   32    30 S   HC   HA32    28     1.09556   108.00122    51.52949
   33    29 S   CT   _C5_    36     1.83637   100.00621  -173.71359
   34    33 S   HC   _H3_    37     1.09587   106.81531    45.75431
   35    30 S   CO3  _C3_    29     1.52964   114.07469   173.53425
   36    35 S   O2Z  _O31    30     1.26376   116.07008    -0.73595
   37    35 S   O2Z  _O32    31     1.26428   114.41269   179.32536
   38    33 S   CM   _C6_    38     1.51340   109.37721   163.84746
   39    33 S   CT   _C4_    67     1.52882   111.22346   -71.31598
   40    39 S   HC   _H8_    68     1.09590   112.28728   -55.62578
   41    39 S   HC   _H9_    69     1.09632   110.55694  -175.86445
   42    39 S   HC   _H10    70     1.09469   111.49156    65.54803
   43    38 S   CMA  _C7_    39     1.35358   126.87265  -103.18770
   44    43 S   OM   _O38    40     1.26307   127.78429     2.10654
   45    43 S   OS   _O33    41     1.42289   110.39923  -177.27164
   46    45 S   CT   _C8_    42     1.42413   107.23181    -6.82372
   47    46 S   CM   _C14    43     1.49105   110.99477   137.90454
   48    47 S   HC   _H12    44     1.08101   123.74122   -56.65114
   49    38 S   CT   _C9_    58     1.49474   122.16241    81.51542
   50    49 S   HC   _H4_    59     1.09520   111.13709    62.97660
   51    47 S   CM   _C13    45     1.33375   112.05108   124.40843
   52    51 S   HC   _H11    46     1.08158   123.35877  -179.73166
   53    51 S   CT   _C12    47     1.49924   112.62734    -2.55451
   54    53 S   HC   _H7_    48     1.09838   107.97419  -113.90211
   55    53 S   CM   _C15    49     1.49480   114.28061   124.99772
   56    55 S   CM   _C16    50     1.33834   121.93846  -125.08431
   57    56 S   HC   _H13    51     1.08304   124.20701  -174.35778
   58    55 S   CO4  _C17    60     1.48599   121.83150    59.80073
   59    58 S   O    _O36    61     1.22274   124.30483  -158.38106
   60    56 S   OS   _O35    52     1.36242   126.34963     2.21258
   61    58 S   OS   _O37    62     1.35959   109.66040    22.21526
   62    60 S   CO   _C10    53     1.42335   116.53107    18.42657
   63    62 S   HC   _H5_    54     1.09680   105.69776  -154.03764
   64    61 S   CT   _C18    63     1.43076   115.33791   179.86583
   65    64 S   HC   _H14    64     1.09327   108.09084   179.72305
   66    64 S   HC   _H15    65     1.09424   110.29042    61.04439
   67    64 S   HC   _H16    66     1.09421   110.28456   -61.58150
   68    46 S   CT   _C11    55     1.53349   112.21320  -105.38873
   69    68 S   HC   _H6_    56     1.09818   112.57706    -3.79932
   70    62 S   OS   _O34    57     1.43741   111.43115    91.44042
  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
  13   7   2   1   1  14   5   2   1   1   8   3  11  15  12   5
   9   3   9   4  13   6  10   9   3   8   2   5   4   4   3   3
   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43    49    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    45    46    70    49    50    39    40    41    42  
   38    43    49    39    40    41    42  
   36    37  
   37  
    0  
   43    44    45    46    47    62    68    70    49    50    39    40    41    42  
   40    41    42    43    49  
   41    42  
   42  
    0  
   44    45    46    47    68    70    49    50  
   45    46    49  
   46    47    48    51    53    62    68    69    70    49    50  
   47    48    51    52    53    54    55    60    62    63    68    69    70    49    50  
   48    51    52    53    54    55    62    68    69    70    49    50  
   51    52    53    68    49  
   50    51    53    60    62    63    68    69    70  
   62    68    70  
   52    53    54    55    56    62    68    69    58  
   53    54    55    68  
   54    55    56    57    60    62    63    68    69    70    58    59    61  
   55    56    62    68    69    58  
   56    57    60    62    68    69    58    59    61    64  
   57    60    62    63    68    70    58    59    61  
   60    62    58  
   59    61    64    65    66    67    60    68  
   61    64  
   62    63    68    69    70  
   64    65    66    67  
   63    68    69    70  
   68    69    70  
   65    66    67  
   66    67  
   67  
    0  
   69    70  
   70  
    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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    43   465.000  1.376
   38    49   317.000  1.510
   43    44   745.000  1.250
   43    45   440.000  1.360
   45    46   320.000  1.410
   46    47   317.000  1.510
   46    68   268.000  1.529
   46    49   268.000  1.529
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    53   317.000  1.510
   53    54   340.000  1.090
   53    55   317.000  1.510
   53    68   268.000  1.529
   55    56   549.000  1.340
   55    58   320.000  1.462
   56    57   340.000  1.080
   56    60   440.000  1.360
   60    62   320.000  1.380
   62    63   340.000  1.090
   62    68   250.000  1.527
   62    70   320.000  1.380
   68    69   340.000  1.090
   70    49   320.000  1.410
   49    50   340.000  1.090
   58    59   570.000  1.229
   58    61   214.000  1.327
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    49    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    45    80.00000  120.01400
   38    49    46    70.00000  112.02700
   38    49    70    85.00000  110.90400
   38    49    50    35.00000  109.50000
   43    45    46    90.00000  111.18400
   45    43    44    65.00000  121.00000
   45    46    47    85.00000  110.90400
   45    46    68    50.00000  109.50000
   45    46    49    50.00000  109.50000
   46    47    48    35.00000  117.00000
   46    47    51    70.00000  124.00000
   46    68    53    58.35000  112.70000
   46    68    62    75.00000  109.43000
   46    68    69    37.50000  110.70000
   46    49    70    50.00000  109.50000
   46    49    50    37.50000  110.70000
   47    51    52    35.00000  120.00000
   47    51    53    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    55    70.00000  110.12100
   51    53    68    70.00000  112.02700
   53    51    52    35.00000  117.00000
   53    55    56    70.00000  124.00000
   53    55    58    65.00000  116.34900
   53    68    62    75.00000  109.43000
   53    68    69    37.50000  110.70000
   55    53    54    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    60    80.00000  120.01400
   55    58    59    80.00000  123.72100
   55    58    61    90.00000  111.29400
   56    60    62    85.00000  113.97000
   60    56    57    55.00000  109.52600
   60    62    63    35.00000  109.50000
   60    62    68    90.00000  108.56700
   60    62    70    92.60000  111.55000
   62    68    69    45.00000  108.72000
   62    70    49    60.00000  109.50000
   68    46    47    70.00000  112.02700
   68    53    54    37.50000  110.70000
   68    53    55    70.00000  112.02700
   68    62    63    45.00000  112.01100
   70    62    63    35.00000  109.50000
   70    62    68    90.00000  108.56700
   70    49    50    35.00000  109.50000
   49    38    43    70.00000  124.00000
   49    46    47    70.00000  112.02700
   49    46    68    58.35000  112.70000
   58    55    56    65.00000  118.96000
   58    61    64    83.00000  116.90000
   61    58    59    83.00000  123.40000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    49   0.30250  1.0 1.0
   29    33    38    49  -0.14950 -1.0 2.0
   29    33    38    49   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   33    38    49    46   0.46850  1.0 1.0
   33    38    49    46   0.08550 -1.0 2.0
   33    38    49    46   0.09800  1.0 3.0
   33    38    49    70   0.09700  1.0 1.0
   33    38    49    70   0.15600 -1.0 2.0
   33    38    49    70  -0.50800  1.0 3.0
   33    38    49    50   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    49   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43   -45    46  -2.26850  1.0 1.0
   38    43   -45    46   3.39050 -1.0 2.0
   43    38   -49    46   0.09850  1.0 1.0
   43    38   -49    46   0.15250 -1.0 2.0
   43    38   -49    46  -0.50650  1.0 3.0
   43    38    49    70   0.39000  1.0 1.0
   43    38    49    70  -0.05800 -1.0 2.0
   43    38    49    70  -0.55150  1.0 3.0
   43    38    49    50   0.00000  1.0 1.0
   43    45    46    47  -0.48150  1.0 1.0
   43    45    46    47   0.09250 -1.0 2.0
   43    45    46    47  -0.12850  1.0 3.0
   43    45    46    68  -0.46850  1.0 1.0
   43    45    46    68   0.09300 -1.0 2.0
   43    45    46    68  -0.12850  1.0 3.0
   43    45   -46    49  -0.46850  1.0 1.0
   43    45   -46    49   0.09300 -1.0 2.0
   43    45   -46    49  -0.12850  1.0 3.0
   44    43    45    46   2.00000 -1.0 2.0
   45    46    47    48   0.00000  1.0 1.0
   45    46    47    51   0.39000  1.0 1.0
   45    46    47    51  -0.05800 -1.0 2.0
   45    46    47    51  -0.55150  1.0 3.0
   45    46    68    53   0.62750  1.0 1.0
   45    46    68    53  -0.30950 -1.0 2.0
   45    46    68    53   0.27300  1.0 3.0
   45    46    68    62   0.62750  1.0 1.0
   45    46    68    62  -0.30950 -1.0 2.0
   45    46    68    62   0.27300  1.0 3.0
   45    46    68    69   0.23400  1.0 3.0
   45    46   -49    38   0.61850  1.0 1.0
   45    46   -49    38  -0.22750 -1.0 2.0
   45    46   -49    38   0.15300  1.0 3.0
   45    46    49    70   1.11900  1.0 1.0
   45    46    49    70  -1.16350 -1.0 2.0
   45    46    49    70  -0.34150  1.0 3.0
   45    46    49    50   0.23400  1.0 3.0
   46    47    51    52   7.00000 -1.0 2.0
   46    47   -51    53   7.00000 -1.0 2.0
   47    46   -68    53   0.34400  1.0 1.0
   47    46   -68    53   0.09450 -1.0 2.0
   47    46   -68    53   0.11100  1.0 3.0
   47    46    68    62   0.34400  1.0 1.0
   47    46    68    62   0.09450 -1.0 2.0
   47    46    68    62   0.11100  1.0 3.0
   47    46    68    69   0.15000  1.0 3.0
   47    46    49    38   0.31000  1.0 1.0
   47    46    49    38   0.14700 -1.0 2.0
   47    46    49    38   0.07550  1.0 3.0
   47    46    49    70   0.61850  1.0 1.0
   47    46    49    70  -0.22750 -1.0 2.0
   47    46    49    70   0.15300  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    51    53    54   0.00000  1.0 1.0
   47    51    53    55  -0.28300  1.0 1.0
   47    51    53    55   0.26700 -1.0 2.0
   47    51    53    55  -0.63300  1.0 3.0
   47    51   -53    68   0.09850  1.0 1.0
   47    51   -53    68   0.15250 -1.0 2.0
   47    51   -53    68  -0.50650  1.0 3.0
   48    47    51    52   7.00000 -1.0 2.0
   48    47    51    53   7.00000 -1.0 2.0
   51    53    55    56  -0.28300  1.0 1.0
   51    53    55    56   0.26700 -1.0 2.0
   51    53    55    56  -0.63300  1.0 3.0
   51    53    55    58   0.09700  1.0 1.0
   51    53    55    58   0.15600 -1.0 2.0
   51    53    55    58  -0.50800  1.0 3.0
   51    53   -68    46   0.34400  1.0 1.0
   51    53   -68    46   0.09450 -1.0 2.0
   51    53   -68    46   0.11100  1.0 3.0
   51    53    68    62   0.34400  1.0 1.0
   51    53    68    62   0.09450 -1.0 2.0
   51    53    68    62   0.11100  1.0 3.0
   51    53    68    69   0.15000  1.0 3.0
   52    51    53    54   0.33100  1.0 3.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    68   0.00000  1.0 1.0
   53    55    56    57   7.00000 -1.0 2.0
   53    55    56    60   7.00000 -1.0 2.0
   53    55    58    59  -0.64400  1.0 1.0
   53    55    58    59   0.26850 -1.0 2.0
   53    55    58    61  -0.15000  1.0 1.0
   53    55    58    61   0.89550 -1.0 2.0
   53    55    58    61  -0.06900  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    68    46   0.15000  1.0 3.0
   54    53    68    62   0.15000  1.0 3.0
   54    53    68    69   0.15000  1.0 3.0
   55    53    68    46   0.34400  1.0 1.0
   55    53    68    46   0.09450 -1.0 2.0
   55    53    68    46   0.11100  1.0 3.0
   55    53    68    62   0.34400  1.0 1.0
   55    53    68    62   0.09450 -1.0 2.0
   55    53    68    62   0.11100  1.0 3.0
   55    53    68    69   0.15000  1.0 3.0
   55    56   -60    62  -2.26850  1.0 1.0
   55    56   -60    62   3.39050 -1.0 2.0
   55    58    61    64   2.00000 -1.0 2.0
   56    55    58    59   1.00000 -1.0 2.0
   56    55    58    61  -0.56150  1.0 1.0
   56    55    58    61   2.19150 -1.0 2.0
   56    60    62    63   0.08050  1.0 3.0
   56    60    62    68  -0.46850  1.0 1.0
   56    60    62    68   0.09300 -1.0 2.0
   56    60    62    68  -0.12850  1.0 3.0
   56    60    62    70  -0.48150  1.0 1.0
   56    60    62    70   0.09250 -1.0 2.0
   56    60    62    70  -0.12850  1.0 3.0
   57    56    60    62   0.50000 -1.0 2.0
   60    62    68    46   0.62750  1.0 1.0
   60    62    68    46  -0.30950 -1.0 2.0
   60    62    68    46   0.27300  1.0 3.0
   60    62   -68    53   0.62750  1.0 1.0
   60    62   -68    53  -0.30950 -1.0 2.0
   60    62   -68    53   0.27300  1.0 3.0
   60    62    68    69   0.23400  1.0 3.0
   60    62    70    49  -0.53350  1.0 1.0
   60    62    70    49  -0.78350 -1.0 2.0
   60    62    70    49   0.33750  1.0 3.0
   62    70    49    38  -0.77900  1.0 1.0
   62    70    49    38  -0.36900 -1.0 2.0
   62    70    49    38   0.40400  1.0 3.0
   62    70   -49    46   0.06250  1.0 1.0
   62    70   -49    46  -0.01100 -1.0 2.0
   62    70   -49    46   0.28050  1.0 3.0
   62    70    49    50   0.37050  1.0 3.0
   63    62    68    46   0.15000  1.0 3.0
   63    62    68    53   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    70    49   0.37050  1.0 3.0
   68    46    47    48   0.00000  1.0 1.0
   68    46   -47    51   0.09850  1.0 1.0
   68    46   -47    51   0.15250 -1.0 2.0
   68    46   -47    51  -0.50650  1.0 3.0
   68    46    49    38   0.34400  1.0 1.0
   68    46    49    38   0.09450 -1.0 2.0
   68    46    49    38   0.11100  1.0 3.0
   68    46   -49    70   0.62750  1.0 1.0
   68    46   -49    70  -0.30950 -1.0 2.0
   68    46   -49    70   0.27300  1.0 3.0
   68    46    49    50   0.15000  1.0 3.0
   68    53   -55    56   0.09850  1.0 1.0
   68    53   -55    56   0.15250 -1.0 2.0
   68    53   -55    56  -0.50650  1.0 3.0
   68    53    55    58   0.09700  1.0 1.0
   68    53    55    58   0.15600 -1.0 2.0
   68    53    55    58  -0.50800  1.0 3.0
   68    62   -70    49   0.06250  1.0 1.0
   68    62   -70    49  -0.01100 -1.0 2.0
   68    62   -70    49   0.28050  1.0 3.0
   70    62   -68    46   0.62750  1.0 1.0
   70    62   -68    46  -0.30950 -1.0 2.0
   70    62   -68    46   0.27300  1.0 3.0
   70    62    68    53   0.62750  1.0 1.0
   70    62    68    53  -0.30950 -1.0 2.0
   70    62    68    53   0.27300  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   49    38    43    44   7.00000 -1.0 2.0
   49    38   -43    45   7.00000 -1.0 2.0
   49    46    47    48   0.00000  1.0 1.0
   49    46    47    51   0.09850  1.0 1.0
   49    46    47    51   0.15250 -1.0 2.0
   49    46    47    51  -0.50650  1.0 3.0
   49    46    68    53   0.56750  1.0 1.0
   49    46    68    53  -0.07550 -1.0 2.0
   49    46    68    53   0.20000  1.0 3.0
   49    46   -68    62   3.97050  1.0 1.0
   49    46    68    69   0.15000  1.0 3.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    60   7.00000 -1.0 2.0
   58    61    64    65   0.08050  1.0 3.0
   58    61    64    66   0.08050  1.0 3.0
   58    61    64    67   0.08050  1.0 3.0
   59    58    61    64   3.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    49   0.46850  1.0 1.0
   39    33    38    49   0.08550 -1.0 2.0
   39    33    38    49   0.09800  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    49    38    43   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   46    48    47    51   1.10000 -1.0 2.0
   53    52    51    47   1.10000 -1.0 2.0
   53    58    55    56   1.10000 -1.0 2.0
   60    57    56    55   1.10000 -1.0 2.0
   55    61    58    59  10.50000 -1.0 2.0
END
