* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    222     410
    1     0 S   NP   _N1_     1    28.85715    94.05347   -23.70252
    2     1 S   H    _HN1     2     1.02786   106.00273   -96.40145
    3     1 S   H    _H1_     3     1.02951    87.06840    11.86201
    4     1 S   H    _H2_     4     1.02829    22.42574   165.39503
    5     1 S   CT   _CA1     5     1.50114   129.08212   125.94688
    6     5 S   HC   _HA1     6     1.09574   105.20057    74.26663
    7     5 S   CO3  _C1_     7     1.53797   112.44308   -45.97332
    8     7 S   O2Z  _O11     8     1.26375   115.01050   -42.85237
    9     7 S   O2Z  _O12     9     1.26241   114.94625   136.27572
   10     5 S   CT   _CB1    10     1.53080   107.41481  -167.75420
   11    10 S   HC   HB11    11     1.09833   109.38831   -49.70076
   12    10 S   HC   HB12    12     1.09815   110.43779    66.90811
   13    10 S   CT   _CG1    13     1.52986   112.60541  -170.68339
   14    13 S   HC   HG11    14     1.09585   110.60544   -65.11333
   15    13 S   HC   HG12    15     1.09668   109.81865    54.12306
   16    13 S   C    _CD1    16     1.51799   112.24185   174.57104
   17    16 S   O    _OE1    17     1.22732   123.29589     5.58033
   18    16 S   N    _N2_    18     1.38653   111.65561  -174.51906
   19    18 S   H    _HN2    19     1.01581   118.94312     1.85245
   20    18 S   CT1  _CA2    20     1.46205   123.38484   178.08419
   21    20 S   HC   _HA2    21     1.09740   109.37635     1.81564
   22    20 S   C    _C2_    22     1.53541   108.63410  -113.68690
   23    22 S   O    _O2_    23     1.23061   122.25977  -148.10846
   24    20 S   CT   _CB2    32     1.53519   111.55087   123.83316
   25    24 S   HC   HB21    33     1.09362   109.49688    56.95737
   26    24 S   HC   HB22    34     1.09419   109.59994   175.84848
   27    22 S   N    _N3_    24     1.38323   113.70248    39.34420
   28    27 S   H    _HN3    25     1.01591   119.57114    -3.38576
   29    24 S   S    _SG2    35     1.82894   111.04921   -64.69666
   30    27 S   CT   _CA3    26     1.45288   123.21286   177.11418
   31    30 S   HC   HA31    27     1.09549   107.51190   -64.46393
   32    30 S   HC   HA32    28     1.09557   107.97893    51.97090
   33    29 S   CT   _C5_    36     1.86589   102.60008   171.99992
   34    30 S   CO3  _C3_    29     1.52960   114.08550   173.96187
   35    34 S   O2Z  _O31    30     1.26374   116.06591    -0.78659
   36    34 S   O2Z  _O32    31     1.26428   114.41277   179.27476
   37    33 S   CT   _C7_    37     1.56236   108.89164   174.92433
   38    37 S   HC   _H3_    38     1.10110   108.31592   173.69612
   39    33 S   CT   _C4_    69     1.54198   108.56835   -67.27405
   40    39 S   HC   _H4_    70     1.09452   112.22557    68.90447
   41    39 S   HC   _H5_    71     1.09655   110.76465  -172.31175
   42    39 S   HC   _H6_    72     1.09600   112.13196   -52.74610
   43    33 S   CT   _C6_    73     1.54336   110.24715    53.46728
   44    43 S   HC   _H7_    74     1.09458   111.56207   -67.56937
   45    43 S   HC   _H8_    75     1.09541   111.62020    53.78568
   46    37 S   CT   _C8_    39     1.54302   116.07582   -65.14192
   47    46 S   HC   _H10    40     1.09327   113.58465    28.80667
   48    46 S   HC   _H11    41     1.09404   111.19433   -95.16691
   49    43 S   OH   _O33    76     1.42515   110.55611   173.61171
   50    49 S   HO   _H9_    77     0.97272   107.08125   179.40752
   51    46 S   CA   _C9_    42     1.48191    99.54437   145.48503
   52    51 S   CA   _C10    43     1.38163   109.55775   -13.23635
   53    52 S   CA   _C11    44     1.38208   122.18189  -177.05031
   54    53 S   HA   _H12    45     1.08393   118.71195   179.54072
   55    37 S   OS   _O38    68     1.45791   110.84126    59.21266
   56    53 S   CA   _C12    46     1.40220   118.52806    -0.62338
   57    56 S   CA   _C13    47     1.41986   119.39237     0.39958
   58    56 S   OS   _O37    63     1.37150   123.42230  -179.71129
   59    51 S   CA   _C14    48     1.38409   129.74602   169.84865
   60    58 S   CT   _C22    64     1.42213   117.85162    -0.85318
   61    60 S   HC   _H17    65     1.09430   107.71761  -179.53606
   62    60 S   HC   _H18    66     1.09490   111.13705    62.79451
   63    60 S   HC   _H19    67     1.09495   111.16713   -61.84601
   64    59 S   OS   _O34    49     1.36897   116.55857    -2.64553
   65    64 S   CA   _C15    50     1.36997   118.65494  -179.87333
   66    65 S   CA   _C16    51     1.39182   123.35735    -0.07913
   67    66 S   CA   _C18    52     1.39957   120.48756   179.98022
   68    67 S   HA   _H13    53     1.08685   121.11630   179.97202
   69    57 S   CO4  _C17    61     1.48314   122.41371   179.84934
   70    69 S   O    _O35    62     1.22275   122.86555     0.86207
   71    67 S   CA   _C19    54     1.39526   119.80831     0.00000
   72    71 S   HA   _H14    55     1.08651   119.91057   180.00000
   73    71 S   CA   _C20    56     1.39422   120.12125    -0.00000
   74    73 S   HA   _H15    57     1.08621   119.41802   180.00000
   75    65 S   CA   _C21    58     1.39752   117.44445   179.90721
   76    75 S   OH   _O36    59     1.36884   119.06538     0.00000
   77    76 S   HO   _H16    60     0.97231   108.77469   179.95577
  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  13   5   4   3
  17   2   1   1  17   8   9   3   2   1   6   3   2   9   5   4
   1   1  10   8   8   4   2  11   9   6   6   3   2   1   1   7
  11   9   8   4   3   1   5   3   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    55    39    40    41    42    43    44    45    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    51    52    55    39    40    41    42    43    44    45    49    50  
   35    36  
   36  
    0  
   38    46    47    48    51    52    53    59    55    39    40    41    42    43    44    45    49  
   46    47    48    51    52    55    39    43  
   40    41    42    43    44    45    49    46    55  
   41    42    43  
   42    43  
   43  
   44    45    49    50    46    55  
   45    49    50  
   49    50  
   47    48    51    52    53    57    59    64    55  
   48    51    52    59    55  
   51    52    59    55  
   50  
    0  
   52    53    54    56    57    59    64    65    69    55  
   53    54    56    57    59    64    58    55  
   54    56    57    59    69    58    60    55  
   56    57    58    55  
   56    59  
   57    59    64    66    69    70    58    60    61    62    63  
   59    64    65    66    67    69    70    58    60  
   60    61    62    63    59    69  
   64    65    66    75    69    70  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    73    75    76    69  
   66    67    68    71    73    74    75    76    77    69    70  
   67    68    71    72    73    75    76    69    70  
   68    71    72    73    74    75    69    70  
   71    72    73    69  
   70    71    75  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75    76    77  
   75    76  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   268.000  1.529
   37    55   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   469.000  1.400
   51    59   469.000  1.400
   52    53   469.000  1.400
   52    55   450.000  1.364
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   469.000  1.400
   56    58   450.000  1.364
   57    59   469.000  1.400
   57    69   310.000  1.470
   59    64   450.000  1.364
   64    65   450.000  1.364
   65    66   469.000  1.400
   65    75   469.000  1.400
   66    67   469.000  1.400
   66    69   310.000  1.470
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   69    70   570.000  1.229
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    37    55    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    49    50.00000  109.50000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.17500
   37    55    52    75.00000  111.00000
   46    37    38    37.50000  110.70000
   46    51    52    70.00000  120.00000
   46    51    59    70.00000  120.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    53    63.00000  120.00000
   51    52    55    70.00000  120.00000
   51    59    57    63.00000  120.00000
   51    59    64    70.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    56    63.00000  120.00000
   53    56    57    63.00000  120.00000
   53    56    58    70.00000  120.00000
   56    53    54    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    57    69    60.00000  119.52600
   56    58    60    75.00000  111.00000
   57    59    64    70.00000  120.00000
   57    69    66    65.00000  116.00000
   57    69    70    75.00000  123.78400
   59    51    52    63.00000  120.00000
   59    64    65    85.00000  114.70000
   64    65    66    70.00000  120.00000
   64    65    75    70.00000  120.00000
   65    66    67    63.00000  120.00000
   65    66    69    60.00000  119.52600
   65    75    73    63.00000  120.00000
   65    75    76    70.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    71    63.00000  120.00000
   66    69    70    75.00000  123.78400
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  120.00000
   75    65    66    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   69    57    59    60.00000  119.52600
   69    66    67    60.00000  119.52600
   58    56    57    70.00000  120.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    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
   55    37    38    35.00000  109.50000
   55    37    46    50.00000  109.50000
   55    52    53    70.00000  120.00000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    49    50    55.00000  108.50000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    37    55   0.56750  1.0 1.0
   29    33    37    55  -0.07550 -1.0 2.0
   29    33    37    55   0.20000  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
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    49   0.56750  1.0 1.0
   29    33    43    49  -0.07550 -1.0 2.0
   29    33    43    49   0.20000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51  -0.03700  1.0 1.0
   33    37    46    51   0.37200 -1.0 2.0
   33    37    46    51  -0.47300  1.0 3.0
   33    37    55    52  -0.32850  1.0 1.0
   33    37    55    52  -0.35800 -1.0 2.0
   33    37    55    52   0.33950  1.0 3.0
   33    43    49    50  -0.11600  1.0 1.0
   33    43    49    50  -0.09450 -1.0 2.0
   33    43    49    50   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    49   0.86500  1.0 1.0
   37    33    43    49  -0.17500 -1.0 2.0
   37    33    43    49   0.20800  1.0 3.0
   37    46   -51    52   0.04150 -1.0 2.0
   37    46    51    59   0.04150 -1.0 2.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.43200  1.0 3.0
   38    37    55    52   0.08050  1.0 3.0
   46    37   -55    52  -0.32850  1.0 1.0
   46    37   -55    52  -0.35800 -1.0 2.0
   46    37   -55    52   0.33950  1.0 3.0
   46    51    52    53   3.62500 -1.0 2.0
   46    51   -52    55   3.62500 -1.0 2.0
   46    51    59    57   3.62500 -1.0 2.0
   46    51    59    64   3.62500 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    59   0.00000  1.0 1.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    59   0.00000  1.0 1.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52    53    56   3.62500 -1.0 2.0
   51    52   -55    37   1.63200 -1.0 2.0
   51    59    64    65   0.47150 -1.0 2.0
   52    51    59    57   3.62500 -1.0 2.0
   52    51    59    64   3.62500 -1.0 2.0
   52    53   -56    57   3.62500 -1.0 2.0
   52    53    56    58   3.62500 -1.0 2.0
   53    52    55    37   1.63200 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    57    69   3.62500 -1.0 2.0
   53    56    58    60   1.63200 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    58   3.62500 -1.0 2.0
   56    57   -59    51   3.62500 -1.0 2.0
   56    57    59    64   3.62500 -1.0 2.0
   56    57    69    66   0.56600 -1.0 2.0
   56    57    69    70   1.05000 -1.0 2.0
   56    58    60    61   0.08050  1.0 3.0
   56    58    60    62   0.08050  1.0 3.0
   56    58    60    63   0.08050  1.0 3.0
   57    56    58    60   1.63200 -1.0 2.0
   57    59    64    65   0.47150 -1.0 2.0
   59    51   -52    53   3.62500 -1.0 2.0
   59    51    52    55   3.62500 -1.0 2.0
   59    57    69    66   0.56600 -1.0 2.0
   59    57    69    70   1.05000 -1.0 2.0
   59    64   -65    66   0.47150 -1.0 2.0
   59    64    65    75   0.47150 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    69   3.62500 -1.0 2.0
   64    65    75    73   3.62500 -1.0 2.0
   64    65    75    76   3.62500 -1.0 2.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    71   3.62500 -1.0 2.0
   65    66   -69    57   0.56600 -1.0 2.0
   65    66    69    70   1.05000 -1.0 2.0
   65    75    76    77   0.84100 -1.0 2.0
   66    65    75    73   3.62500 -1.0 2.0
   66    65    75    76   3.62500 -1.0 2.0
   66    67    71    72   3.62500 -1.0 2.0
   66    67   -71    73   3.62500 -1.0 2.0
   67    66    69    57   0.56600 -1.0 2.0
   67    66    69    70   1.05000 -1.0 2.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71    73    75   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    73   3.62500 -1.0 2.0
   71    73   -75    65   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.84100 -1.0 2.0
   74    73    75    65   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    65   -66    67   3.62500 -1.0 2.0
   75    65    66    69   3.62500 -1.0 2.0
   69    57    59    51   3.62500 -1.0 2.0
   69    57   -59    64   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    71   3.62500 -1.0 2.0
   58    56    57    59   3.62500 -1.0 2.0
   58    56    57    69   3.62500 -1.0 2.0
   55    37    46    47   0.23400  1.0 3.0
   55    37    46    48   0.23400  1.0 3.0
   55    37   -46    51  -0.64350  1.0 1.0
   55    37   -46    51  -0.04200 -1.0 2.0
   55    37   -46    51   0.19800  1.0 3.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46   0.56750  1.0 1.0
   39    33    37    46  -0.07550 -1.0 2.0
   39    33    37    46   0.20000  1.0 3.0
   39    33    37    55   0.62750  1.0 1.0
   39    33    37    55  -0.30950 -1.0 2.0
   39    33    37    55   0.27300  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    49   0.86500  1.0 1.0
   39    33    43    49  -0.17500 -1.0 2.0
   39    33    43    49   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46   0.56750  1.0 1.0
   43    33    37    46  -0.07550 -1.0 2.0
   43    33    37    46   0.20000  1.0 3.0
   43    33    37    55   0.62750  1.0 1.0
   43    33    37    55  -0.30950 -1.0 2.0
   43    33    37    55   0.27300  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   45    43    49    50   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   52    59    51    46   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   56    54    53    52   1.10000 -1.0 2.0
   57    58    56    53   4.00000 -1.0 2.0
   59    69    57    56   4.00000 -1.0 2.0
   57    64    59    51   4.00000 -1.0 2.0
   66    75    65    64   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   71    68    67    66   1.10000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    65   4.00000 -1.0 2.0
   57    66    69    70  10.50000 -1.0 2.0
END
