* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    131    197     374
    1     0 S   NP   _N1_     1    28.98313    97.18851   -25.63154
    2     1 S   H    _HN1     2     1.02948    66.57463     8.62293
    3     1 S   H    _H1_     3     1.02828    40.53829  -173.27101
    4     1 S   H    _H2_     4     1.02793   119.42785   -90.00085
    5     1 S   CT   _CA1     5     1.50126   126.41592   107.42089
    6     5 S   HC   _HA1     6     1.09575   105.16650   102.32207
    7     5 S   CO3  _C1_     7     1.53767   112.43898   -17.87608
    8     7 S   O2Z  _O11     8     1.26375   115.00534   -42.99319
    9     7 S   O2Z  _O12     9     1.26234   114.93644   136.00967
   10     5 S   CT   _CB1    10     1.53062   107.40553  -139.73063
   11    10 S   HC   HB11    11     1.09840   109.31750   -49.56547
   12    10 S   HC   HB12    12     1.09811   110.47867    67.02176
   13    10 S   CT   _CG1    13     1.53020   112.64699  -170.51564
   14    13 S   HC   HG11    14     1.09573   110.70217   -67.11349
   15    13 S   HC   HG12    15     1.09670   109.72559    52.13787
   16    13 S   C    _CD1    16     1.51817   112.03414   172.58434
   17    16 S   O    _OE1    17     1.22754   123.19730    10.87115
   18    16 S   N    _N2_    18     1.38656   111.81377  -169.13711
   19    18 S   H    _HN2    19     1.01580   118.99089     1.10889
   20    18 S   CT1  _CA2    20     1.46221   123.34811   176.63792
   21    20 S   HC   _HA2    21     1.09740   109.26612     6.27967
   22    20 S   C    _C2_    22     1.53653   108.83901  -109.18755
   23    22 S   O    _O2_    23     1.23073   122.24481  -149.10584
   24    20 S   CT   _CB2    32     1.53342   111.68165   128.21415
   25    24 S   HC   HB21    33     1.09585   110.11526    56.89831
   26    24 S   HC   HB22    34     1.09448   109.95648   175.98034
   27    22 S   N    _N3_    24     1.38315   113.84528    38.40558
   28    27 S   H    _HN3    25     1.01552   119.59878    -3.30120
   29    24 S   S    _SG2    35     1.82710   111.49483   -63.98682
   30    27 S   CT   _CA3    26     1.45284   123.27964   177.17361
   31    30 S   HC   HA31    27     1.09547   107.51004   -64.83477
   32    30 S   HC   HA32    28     1.09555   108.00175    51.62628
   33    29 S   CT   _C16    36     1.83186    99.56462   176.00041
   34    33 S   HC   _H3_    37     1.09505   107.96740   -42.76308
   35    30 S   CO3  _C3_    29     1.52973   114.03302   173.62090
   36    35 S   O2Z  _O31    30     1.26384   116.06569    -0.65700
   37    35 S   O2Z  _O32    31     1.26423   114.42367   179.40422
   38    33 S   CO4  _C15    38     1.51140   109.73868    72.84636
   39    38 S   O    _O35    39     1.23056   122.24135   -98.52539
   40    38 S   CM   _C14    40     1.47668   118.37598    77.20517
   41    40 S   HC   _H9_    41     1.08229   115.97296  -158.54566
   42    40 S   CM   _C13    42     1.34253   119.87118    19.10092
   43    42 S   CT   _C11    43     1.53415   123.18393     6.40380
   44    42 S   OS   _O38    69     1.38888   124.01656  -175.49250
   45    43 S   CO4  _C12    44     1.52977   104.44498   122.31638
   46    45 S   O    _O34    45     1.21724   128.78655   -65.14202
   47    33 S   CM   _C17    61     1.52602   110.43454  -164.99403
   48    44 S   CT   _C20    70     1.42201   118.39824     1.67748
   49    48 S   HC   _H13    71     1.09406   107.84191   178.92389
   50    48 S   HC   _H14    72     1.09477   111.03054    60.95498
   51    48 S   HC   _H15    73     1.09469   110.95785   -63.17977
   52    45 S   CA   _C8_    46     1.44317   106.88754   113.68297
   53    47 S   CMA  _C18    62     1.37367   119.70157   102.90170
   54    53 S   OM   _O36    63     1.27015   125.37596     3.58878
   55    52 S   CA   _C9_    47     1.37999   105.96580     0.58081
   56    53 S   OS   _O37    64     1.41292   112.83987  -176.68962
   57    55 S   CA   _C10    48     1.38217   120.64670   179.39899
   58    57 S   HA   _H8_    49     1.08548   120.46811  -179.45142
   59    43 S   OS   _O33    60     1.45816   108.66533  -125.96125
   60    56 S   CT   _C19    65     1.42796   113.66814   131.03683
   61    60 S   HC   _H10    66     1.09407   107.74409  -170.43326
   62    60 S   HC   _H11    67     1.09469   111.05421    71.57496
   63    60 S   HC   _H12    68     1.09545   111.08417   -52.25347
   64    57 S   CA   _C5_    50     1.40563   118.47690     0.48658
   65    64 S   CA   _C6_    51     1.41330   119.96938    -1.15301
   66    65 S   HA   _H7_    52     1.08772   119.87049  -178.76489
   67    64 S   CT   _C4_    56     1.50064   120.05051  -178.41613
   68    67 S   HC   _H4_    57     1.09429   109.96581    89.69190
   69    67 S   HC   _H5_    58     1.09504   110.86596  -149.79836
   70    67 S   HC   _H6_    59     1.09507   110.92638   -30.78484
   71    52 S   CA   _C7_    53     1.37751   131.56130   179.57942
   72    71 S   OH   _O39    54     1.36037   122.85601     0.40926
   73    72 S   HO   _H16    55     0.97455   108.29003    -0.99681
  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   7   3
   2   1   1  10   7   2   8   4  10   4   2   3   2   1   1   8
   8   3   4   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    59    47    53    54    56  
   38    39    40    43    47    53  
   36    37  
   37  
    0  
   39    40    41    42    43    47    53    44  
   40    41    42    47  
   41    42    43    45    59    47    44    48  
   42    43    44  
   43    45    46    52    55    59    47    53    44    48    49    50    51  
   45    46    52    55    57    71    59    47    53    54    56    44    48  
   48    49    50    51    45    47    59  
   46    52    55    57    65    71    72    59    47    53  
   52    55    71    59    47  
   53    54    56    60    52    55    59  
   49    50    51  
   50    51  
   51  
    0  
   55    57    58    64    65    66    71    72    73    59  
   54    56    60    61    62    63    59  
   56    60  
   57    58    64    65    71    72    67    59  
   60    61    62    63  
   58    64    65    66    71    67    68    69    70    59  
   64    65    67    59  
   64    71  
   61    62    63  
   62    63  
   63  
    0  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73  
   73  
    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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    47   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    59   320.000  1.410
   43    47   317.000  1.510
   45    46   570.000  1.229
   45    52   310.000  1.470
   52    55   469.000  1.400
   52    71   469.000  1.400
   55    57   469.000  1.400
   55    59   450.000  1.364
   57    58   367.000  1.080
   57    64   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   47    53   465.000  1.376
   53    54   745.000  1.250
   53    56   440.000  1.360
   56    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    47    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    47    43    65.00000  117.92700
   33    47    53    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    59    85.00000  110.90400
   42    43    47    70.00000  110.12100
   42    44    48    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    52    65.00000  115.47100
   43    59    55    75.00000  111.00000
   43    47    53    70.00000  124.00000
   45    52    55    60.00000  119.52600
   45    52    71    60.00000  119.52600
   52    45    46    75.00000  123.78400
   52    55    57    63.00000  120.00000
   52    55    59    70.00000  120.00000
   52    71    65    63.00000  120.00000
   52    71    72    70.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    64    63.00000  120.00000
   57    64    65    63.00000  120.00000
   57    64    67    70.00000  120.00000
   64    57    58    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    70.00000  120.00000
   71    52    55    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    64    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    43    45    90.00000  108.74100
   59    55    57    70.00000  120.00000
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  109.06800
   47    43    45    70.00000  109.06800
   47    43    59    85.00000  110.90400
   47    53    54    65.00000  137.10300
   47    53    56    80.00000  120.01400
   53    56    60    90.00000  111.18400
   56    53    54    65.00000  121.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   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    47    43   0.30250  1.0 1.0
   29    33    47    43  -0.14950 -1.0 2.0
   29    33    47    43   0.36900  1.0 3.0
   29    33    47    53   0.42700  1.0 1.0
   29    33    47    53  -0.70350 -1.0 2.0
   29    33    47    53  -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    47    53    54   7.00000 -1.0 2.0
   33    47    53    56   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    47    43   0.34800  1.0 3.0
   34    33    47    53   0.00000  1.0 1.0
   38    33    47    43   0.17250  1.0 1.0
   38    33    47    43  -0.04100 -1.0 2.0
   38    33    47    43  -0.33850  1.0 3.0
   38    33    47    53  -0.51250  1.0 1.0
   38    33    47    53  -0.88800 -1.0 2.0
   38    33    47    53   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    59   0.39000  1.0 1.0
   40    42    43    59  -0.05800 -1.0 2.0
   40    42    43    59  -0.55150  1.0 3.0
   40    42    43    47  -0.28300  1.0 1.0
   40    42    43    47   0.26700 -1.0 2.0
   40    42    43    47  -0.63300  1.0 3.0
   40    42    44    48  -2.26850  1.0 1.0
   40    42    44    48   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    52   0.65300  1.0 1.0
   42    43    45    52  -0.03850 -1.0 2.0
   42    43    45    52   0.33900  1.0 3.0
   42    43    59    55  -0.25600  1.0 1.0
   42    43    59    55  -0.40050 -1.0 2.0
   42    43    59    55   0.34700  1.0 3.0
   42    43   -47    33   0.09700  1.0 1.0
   42    43   -47    33   0.15600 -1.0 2.0
   42    43   -47    33  -0.50800  1.0 3.0
   42    43    47    53  -0.28300  1.0 1.0
   42    43    47    53   0.26700 -1.0 2.0
   42    43    47    53  -0.63300  1.0 3.0
   42    44    48    49   0.08050  1.0 3.0
   42    44    48    50   0.08050  1.0 3.0
   42    44    48    51   0.08050  1.0 3.0
   43    42    44    48   2.00000 -1.0 2.0
   43    45   -52    55   2.26350  1.0 1.0
   43    45   -52    55   0.76750 -1.0 2.0
   43    45   -52    55   0.22500  1.0 3.0
   43    45    52    71   2.26350  1.0 1.0
   43    45    52    71   0.76750 -1.0 2.0
   43    45    52    71   0.22500  1.0 3.0
   43    47    53    54   7.00000 -1.0 2.0
   43    47    53    56   7.00000 -1.0 2.0
   45    43   -59    55  -0.25600  1.0 1.0
   45    43   -59    55  -0.40050 -1.0 2.0
   45    43   -59    55   0.34700  1.0 3.0
   45    43    47    33   0.17250  1.0 1.0
   45    43    47    33  -0.04100 -1.0 2.0
   45    43    47    33  -0.33850  1.0 3.0
   45    43    47    53  -0.51250  1.0 1.0
   45    43    47    53  -0.88800 -1.0 2.0
   45    43    47    53   0.08850  1.0 3.0
   45    52    55    57   3.62500 -1.0 2.0
   45    52   -55    59   3.62500 -1.0 2.0
   45    52    71    65   3.62500 -1.0 2.0
   45    52    71    72   3.62500 -1.0 2.0
   46    45    52    55   1.05000 -1.0 2.0
   46    45    52    71   1.05000 -1.0 2.0
   52    55    57    58   3.62500 -1.0 2.0
   52    55    57    64   3.62500 -1.0 2.0
   52    55   -59    43   1.63200 -1.0 2.0
   52    71    72    73   0.84100 -1.0 2.0
   55    52    71    65   3.62500 -1.0 2.0
   55    52    71    72   3.62500 -1.0 2.0
   55    57   -64    65   3.62500 -1.0 2.0
   55    57    64    67   3.62500 -1.0 2.0
   57    55    59    43   1.63200 -1.0 2.0
   57    64    65    66   3.62500 -1.0 2.0
   57    64    65    71   3.62500 -1.0 2.0
   57    64    67    68   0.00000  1.0 1.0
   57    64    67    69   0.00000  1.0 1.0
   57    64    67    70   0.00000  1.0 1.0
   58    57    64    65   3.62500 -1.0 2.0
   58    57    64    67   3.62500 -1.0 2.0
   64    65   -71    52   3.62500 -1.0 2.0
   64    65    71    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    52   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    52   -55    57   3.62500 -1.0 2.0
   71    52    55    59   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    71   3.62500 -1.0 2.0
   59    43    45    46   0.30150 -1.0 2.0
   59    43   -45    52   0.65300  1.0 1.0
   59    43   -45    52  -0.03850 -1.0 2.0
   59    43   -45    52   0.33900  1.0 3.0
   59    43    47    33   0.09700  1.0 1.0
   59    43    47    33   0.15600 -1.0 2.0
   59    43    47    33  -0.50800  1.0 3.0
   59    43    47    53   0.39000  1.0 1.0
   59    43    47    53  -0.05800 -1.0 2.0
   59    43    47    53  -0.55150  1.0 3.0
   59    55    57    58   3.62500 -1.0 2.0
   59    55    57    64   3.62500 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    52   0.65300  1.0 1.0
   47    43    45    52  -0.03850 -1.0 2.0
   47    43    45    52   0.33900  1.0 3.0
   47    43    59    55  -0.25600  1.0 1.0
   47    43    59    55  -0.40050 -1.0 2.0
   47    43    59    55   0.34700  1.0 3.0
   47    53    56    60  -2.26850  1.0 1.0
   47    53    56    60   3.39050 -1.0 2.0
   53    56    60    61   0.08050  1.0 3.0
   53    56    60    62   0.08050  1.0 3.0
   53    56    60    63   0.08050  1.0 3.0
   54    53    56    60   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    59   0.09700  1.0 1.0
   44    42    43    59   0.15600 -1.0 2.0
   44    42    43    59  -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
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    52    45    46  10.50000 -1.0 2.0
   55    71    52    45   4.00000 -1.0 2.0
   57    59    55    52   4.00000 -1.0 2.0
   64    58    57    55   1.10000 -1.0 2.0
   65    67    64    57   4.00000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    72    71    52   4.00000 -1.0 2.0
   33    43    47    53   1.10000 -1.0 2.0
   54    56    53    47   1.10000 -1.0 2.0
END
