* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    138    217     413
    1     0 S   NP   _N1_     1    28.02690    96.17896   -22.84425
    2     1 S   H    _HN1     2     1.02778   102.87864  -119.35681
    3     1 S   H    _H1_     3     1.02957    80.29175   -12.61445
    4     1 S   H    _H2_     4     1.02836    30.92975   137.27568
    5     1 S   CT   _CA1     5     1.50141   136.59629    96.88867
    6     5 S   HC   _HA1     6     1.09576   105.20468    80.10523
    7     5 S   CO3  _C1_     7     1.53778   112.27086   -40.05622
    8     7 S   O2Z  _O11     8     1.26366   114.99951   -45.70495
    9     7 S   O2Z  _O12     9     1.26228   114.92386   133.24893
   10     5 S   CT   _CB1    10     1.53083   107.40184  -162.03902
   11    10 S   HC   HB11    11     1.09831   109.31330   -50.48798
   12    10 S   HC   HB12    12     1.09814   110.45117    66.05326
   13    10 S   CT   _CG1    13     1.53032   112.68474  -171.53631
   14    13 S   HC   HG11    14     1.09593   110.51899   -64.71129
   15    13 S   HC   HG12    15     1.09657   109.90187    54.50269
   16    13 S   C    _CD1    16     1.51853   112.22505   174.85494
   17    16 S   O    _OE1    17     1.22768   123.24940     1.84058
   18    16 S   N    _N2_    18     1.38541   111.78981  -178.16219
   19    18 S   H    _HN2    19     1.01571   119.16439     3.80622
   20    18 S   CT1  _CA2    20     1.45842   122.83230   177.94414
   21    20 S   HC   _HA2    21     1.09740   108.84738    25.74222
   22    20 S   C    _C2_    22     1.52982   107.08946   -91.19738
   23    22 S   O    _O2_    23     1.22983   123.11038   -25.55091
   24    20 S   CT   _CB2    32     1.53288   112.33815   148.85550
   25    24 S   HC   HB21    33     1.09507   109.76516    54.84512
   26    24 S   HC   HB22    34     1.09395   109.68136   173.48735
   27    22 S   N    _N3_    24     1.38529   112.56777   157.01015
   28    27 S   H    _HN3    25     1.01666   120.33882    -1.98229
   29    24 S   S    _SG2    35     1.82837   110.84821   -65.55574
   30    27 S   CT   _CA3    26     1.45343   122.42497   178.55396
   31    30 S   HC   HA31    27     1.09570   107.76761   -56.08050
   32    30 S   HC   HA32    28     1.09563   107.63466    60.22626
   33    29 S   CT   _C12    36     1.92707   101.67573  -167.51119
   34    30 S   CO3  _C3_    29     1.52872   114.39298  -178.02078
   35    34 S   O2Z  _O31    30     1.26324   116.09395    -1.67351
   36    34 S   O2Z  _O32    31     1.26446   114.39385   178.32871
   37    33 S   CO4  _C11    37     1.55185   104.79651    66.09641
   38    37 S   O    _O33    38     1.23202   124.21791    27.71729
   39    33 S   CT   _C13    53     1.58517   112.29043   -48.21295
   40    39 S   OM   _O34    54     1.32265   111.60632   -59.79966
   41    39 S   HC   _H5_    55     1.10475   103.08958    64.20571
   42    33 S   CM   _C16    66     1.56066   104.38098  -178.60549
   43    37 S   CM   _C10    39     1.48488   118.10597  -157.87226
   44    43 S   HC   _H13    40     1.08565   115.41892  -165.66456
   45    42 S   CM   _C17    67     1.34941   121.86729    67.00422
   46    45 S   HC   _H17    68     1.08436   122.33971  -179.42054
   47    45 S   HC   _H18    69     1.08368   122.26138    -0.34207
   48    42 S   CT   _C18    70     1.52158   118.21355  -111.25642
   49    48 S   HC   _H19    71     1.09340   110.32222   -61.55140
   50    48 S   HC   _H20    72     1.09419   110.04168    59.48892
   51    43 S   CM   _C9_    41     1.34231   122.74580     8.02673
   52    48 S   OH   _O35    73     1.42444   113.01438   178.95470
   53    52 S   HO   _H21    74     0.97209   106.96324   179.94405
   54    51 S   CT   _C8_    42     1.50888   118.57557  -167.87714
   55    54 S   HC   _H11    43     1.09449   111.05011  -124.05068
   56    54 S   HC   _H12    44     1.09704   111.67207    -6.27810
   57    54 S   CT   _C7_    45     1.52063   108.46633   113.58104
   58    57 S   HC   _H9_    46     1.09714   109.81044   176.13629
   59    57 S   HC   _H10    47     1.09897   109.84317   -68.55270
   60    57 S   CT   _C6_    48     1.52993   112.77410    53.58128
   61    60 S   HC   _H4_    49     1.09591   109.59700    71.91846
   62    60 S   CT   _C5_    50     1.56223   113.49714   -51.25697
   63    62 S   HC   _H3_    51     1.09566   105.89513   -67.56412
   64    60 S   OH   _O36    64     1.43065   107.55872  -172.45946
   65    64 S   HO   _H22    65     0.97228   107.53798   -59.25480
   66    51 S   CT   _C14    52     1.54488   125.09757     6.45516
   67    62 S   CT   _C4_    60     1.54080   107.85785   179.45643
   68    67 S   HC   _H6_    61     1.09387   111.84292   -70.64043
   69    67 S   HC   _H7_    62     1.09119   112.23611   166.66679
   70    67 S   HC   _H8_    63     1.09556   111.22367    49.04774
   71    66 S   CT   _C15    56     1.56561   108.14517   127.42184
   72    71 S   HC   _H14    57     1.09505   111.94628  -174.32598
   73    71 S   HC   _H15    58     1.09316   113.27688    65.55459
   74    71 S   HC   _H16    59     1.09713   110.94450   -54.58221
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  19   2   1   1  12   5  17   6   5  10   9   3   6   2   1   4
   3   2  15   1   1  11   6   5  10   5   4  11   6  12   7   3
   1   8   4   2   1   1   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    66    39    40    41    42    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    51    62    66    39    40    41    71    42    45    46    47    48    49    50    52  
   35    36  
   36  
    0  
   38    43    44    51    54    66    39    40    41    42    45    48  
   43    44    51    39    42  
   40    41    71    72    73    74    67    42    45    48    43    51    54    60    62    63    66  
   41    71    42    51    62    66  
   71    42    51    62    66  
   45    46    47    48    49    50    52    53    43    66  
   44    51    54    55    56    57    62    66    71  
   51    54    66  
   46    47    48    49    50    52  
   47    48  
   48  
   49    50    52    53  
   50    52    53  
   52    53  
   54    55    56    57    58    59    60    62    63    66    71    72    73    74    67  
   53  
    0  
   55    56    57    58    59    60    61    62    66    71    64  
   56    57    58    59    60    66  
   57    58    59    60    66  
   58    59    60    61    62    63    66    67    64    65  
   59    60    61    62    64  
   60    61    62    64  
   61    62    63    66    71    67    68    69    70    64    65  
   62    63    66    67    64    65  
   63    66    71    72    73    74    67    68    69    70    64    65  
   66    71    67    68    69    70    64  
   65    66    67  
    0  
   71    72    73    74    67    68    69    70  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.510
   37    38   570.000  1.229
   37    43   320.000  1.462
   43    44   340.000  1.080
   43    51   549.000  1.340
   51    54   317.000  1.510
   51    66   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    67   268.000  1.529
   66    39   268.000  1.529
   66    71   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   64    65   553.000  0.945
   42    45   549.000  1.340
   42    48   317.000  1.510
   45    46   340.000  1.080
   45    47   340.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   320.000  1.410
   52    53   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    39    66    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    45    70.00000  124.00000
   33    42    48    65.00000  117.92700
   37    43    44    40.00000  117.72500
   37    43    51    65.00000  118.96000
   43    37    38    80.00000  123.72100
   43    51    54    70.00000  124.00000
   43    51    66    70.00000  124.00000
   51    43    44    35.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    70.00000  112.02700
   51    66    62    70.00000  112.02700
   51    66    39    70.00000  112.02700
   51    66    71    70.00000  112.02700
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    64    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    64    65    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    66    39    58.35000  112.70000
   62    66    71    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   66    51    54    65.00000  117.92700
   66    62    63    37.50000  110.70000
   66    39    40    50.00000  109.50000
   66    39    41    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   39    33    37    63.00000  111.10000
   41    39    40    45.00000  125.66300
   71    66    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    66    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   42    33    37    70.00000  109.06800
   42    33    39    70.00000  112.02700
   42    45    46    35.00000  120.00000
   42    45    47    35.00000  120.00000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    52    90.00000  110.39200
   47    45    46    35.00000  117.00000
   48    42    45    70.00000  124.00000
   48    52    53    55.00000  108.50000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    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    42  -0.62250  1.0 1.0
   24    29    33    42  -0.38450 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    45   0.42700  1.0 1.0
   29    33    42    45  -0.70350 -1.0 2.0
   29    33    42    45  -0.43150  1.0 3.0
   29    33    42    48   0.30250  1.0 1.0
   29    33    42    48  -0.14950 -1.0 2.0
   29    33    42    48   0.36900  1.0 3.0
   33    37    43    44   0.04550  1.0 1.0
   33    37    43    44   0.83000 -1.0 2.0
   33    37    43    44  -0.04000  1.0 3.0
   33    37    43    51  -0.33500  1.0 1.0
   33    37    43    51   1.06600 -1.0 2.0
   33    37    43    51  -0.14000  1.0 3.0
   33    42    45    46   7.00000 -1.0 2.0
   33    42    45    47   7.00000 -1.0 2.0
   33    42    48    49   0.34800  1.0 3.0
   33    42    48    50   0.34800  1.0 3.0
   33    42    48    52   0.18000  1.0 1.0
   33    42    48    52   0.16450 -1.0 2.0
   33    42    48    52   0.04450  1.0 3.0
   37    33    39    66  -0.95700  1.0 1.0
   37    33    39    66  -0.18200 -1.0 2.0
   37    33    39    66   0.29450  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    45  -0.51250  1.0 1.0
   37    33    42    45  -0.88800 -1.0 2.0
   37    33    42    45   0.08850  1.0 3.0
   37    33    42    48   0.17250  1.0 1.0
   37    33    42    48  -0.04100 -1.0 2.0
   37    33    42    48  -0.33850  1.0 3.0
   37    43    51    54   7.00000 -1.0 2.0
   37    43   -51    66   7.00000 -1.0 2.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    51   1.00000 -1.0 2.0
   43    51    54    55   0.00000  1.0 1.0
   43    51    54    56   0.00000  1.0 1.0
   43    51    54    57   0.09850  1.0 1.0
   43    51    54    57   0.15250 -1.0 2.0
   43    51    54    57  -0.50650  1.0 3.0
   43    51    66    62   0.09850  1.0 1.0
   43    51    66    62   0.15250 -1.0 2.0
   43    51    66    62  -0.50650  1.0 3.0
   43    51    66    39   0.09850  1.0 1.0
   43    51    66    39   0.15250 -1.0 2.0
   43    51    66    39  -0.50650  1.0 3.0
   43    51    66    71   0.09850  1.0 1.0
   43    51    66    71   0.15250 -1.0 2.0
   43    51    66    71  -0.50650  1.0 3.0
   44    43    51    54   7.00000 -1.0 2.0
   44    43    51    66   7.00000 -1.0 2.0
   51    54    57    58   0.15000  1.0 3.0
   51    54    57    59   0.15000  1.0 3.0
   51    54    57    60   0.34400  1.0 1.0
   51    54    57    60   0.09450 -1.0 2.0
   51    54    57    60   0.11100  1.0 3.0
   51    66   -39    33   0.34400  1.0 1.0
   51    66   -39    33   0.09450 -1.0 2.0
   51    66   -39    33   0.11100  1.0 3.0
   51    66    39    40   0.61850  1.0 1.0
   51    66    39    40  -0.22750 -1.0 2.0
   51    66    39    40   0.15300  1.0 3.0
   51    66    39    41   0.15000  1.0 3.0
   51    66    71    72   0.15000  1.0 3.0
   51    66    71    73   0.15000  1.0 3.0
   51    66    71    74   0.15000  1.0 3.0
   54    51    66    62   0.46850  1.0 1.0
   54    51    66    62   0.08550 -1.0 2.0
   54    51    66    62   0.09800  1.0 3.0
   54    51    66    39   0.46850  1.0 1.0
   54    51    66    39   0.08550 -1.0 2.0
   54    51    66    39   0.09800  1.0 3.0
   54    51    66    71   0.46850  1.0 1.0
   54    51    66    71   0.08550 -1.0 2.0
   54    51    66    71   0.09800  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57   -60    62   0.56750  1.0 1.0
   54    57   -60    62  -0.07550 -1.0 2.0
   54    57   -60    62   0.20000  1.0 3.0
   54    57    60    64   0.86500  1.0 1.0
   54    57    60    64  -0.17500 -1.0 2.0
   54    57    60    64   0.20800  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    66   0.56750  1.0 1.0
   57    60    62    66  -0.07550 -1.0 2.0
   57    60    62    66   0.20000  1.0 3.0
   57    60    62    67   0.56750  1.0 1.0
   57    60    62    67  -0.07550 -1.0 2.0
   57    60    62    67   0.20000  1.0 3.0
   57    60    64    65  -0.11600  1.0 1.0
   57    60    64    65  -0.09450 -1.0 2.0
   57    60    64    65   0.21250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    64   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    64   0.23400  1.0 3.0
   60    62   -66    51   0.34400  1.0 1.0
   60    62   -66    51   0.09450 -1.0 2.0
   60    62   -66    51   0.11100  1.0 3.0
   60    62    66    39   0.56750  1.0 1.0
   60    62    66    39  -0.07550 -1.0 2.0
   60    62    66    39   0.20000  1.0 3.0
   60    62    66    71   0.56750  1.0 1.0
   60    62    66    71  -0.07550 -1.0 2.0
   60    62    66    71   0.20000  1.0 3.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    69   0.15000  1.0 3.0
   60    62    67    70   0.15000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    67   0.15000  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65  -0.11600  1.0 1.0
   62    60    64    65  -0.09450 -1.0 2.0
   62    60    64    65   0.21250  1.0 3.0
   62    66    39    33   0.56750  1.0 1.0
   62    66    39    33  -0.07550 -1.0 2.0
   62    66    39    33   0.20000  1.0 3.0
   62    66    39    40   0.62750  1.0 1.0
   62    66    39    40  -0.30950 -1.0 2.0
   62    66    39    40   0.27300  1.0 3.0
   62    66    39    41   0.15000  1.0 3.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.15000  1.0 3.0
   63    62    66    51   0.15000  1.0 3.0
   63    62    66    39   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   66    51    54    55   0.34800  1.0 3.0
   66    51    54    56   0.34800  1.0 3.0
   66    51   -54    57   0.46850  1.0 1.0
   66    51   -54    57   0.08550 -1.0 2.0
   66    51   -54    57   0.09800  1.0 3.0
   66    62    67    68   0.15000  1.0 3.0
   66    62    67    69   0.15000  1.0 3.0
   66    62    67    70   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    42    45   0.09850  1.0 1.0
   39    33    42    45   0.15250 -1.0 2.0
   39    33    42    45  -0.50650  1.0 3.0
   39    33    42    48   0.46850  1.0 1.0
   39    33    42    48   0.08550 -1.0 2.0
   39    33    42    48   0.09800  1.0 3.0
   39    66    71    72   0.15000  1.0 3.0
   39    66    71    73   0.15000  1.0 3.0
   39    66    71    74   0.15000  1.0 3.0
   71    66    39    33   0.56750  1.0 1.0
   71    66    39    33  -0.07550 -1.0 2.0
   71    66    39    33   0.20000  1.0 3.0
   71    66    39    40   0.62750  1.0 1.0
   71    66    39    40  -0.30950 -1.0 2.0
   71    66    39    40   0.27300  1.0 3.0
   71    66    39    41   0.15000  1.0 3.0
   67    62    66    51   0.34400  1.0 1.0
   67    62    66    51   0.09450 -1.0 2.0
   67    62    66    51   0.11100  1.0 3.0
   67    62    66    39   0.56750  1.0 1.0
   67    62    66    39  -0.07550 -1.0 2.0
   67    62    66    39   0.20000  1.0 3.0
   67    62    66    71   0.56750  1.0 1.0
   67    62    66    71  -0.07550 -1.0 2.0
   67    62    66    71   0.20000  1.0 3.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66   0.86500  1.0 1.0
   64    60    62    66  -0.17500 -1.0 2.0
   64    60    62    66   0.20800  1.0 3.0
   64    60    62    67   0.86500  1.0 1.0
   64    60    62    67  -0.17500 -1.0 2.0
   64    60    62    67   0.20800  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    43   0.65300  1.0 1.0
   42    33    37    43  -0.03850 -1.0 2.0
   42    33    37    43   0.33900  1.0 3.0
   42    33    39    66   0.34400  1.0 1.0
   42    33    39    66   0.09450 -1.0 2.0
   42    33    39    66   0.11100  1.0 3.0
   42    33    39    40   0.61850  1.0 1.0
   42    33    39    40  -0.22750 -1.0 2.0
   42    33    39    40   0.15300  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   42    48    52    53  -0.07800  1.0 1.0
   42    48    52    53  -0.21500 -1.0 2.0
   42    48    52    53  -0.03150  1.0 3.0
   45    42    48    49   0.00000  1.0 1.0
   45    42    48    50   0.00000  1.0 1.0
   45    42    48    52   0.67800  1.0 1.0
   45    42    48    52   0.47050 -1.0 2.0
   45    42    48    52  -0.62500  1.0 3.0
   48    42    45    46   7.00000 -1.0 2.0
   48    42    45    47   7.00000 -1.0 2.0
   49    48    52    53   0.19450  1.0 3.0
   50    48    52    53   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
   33    43    37    38  10.50000 -1.0 2.0
   37    44    43    51   1.10000 -1.0 2.0
   54    66    51    43   1.10000 -1.0 2.0
   33    48    42    45  15.00000 -1.0 2.0
   46    47    45    42  15.00000 -1.0 2.0
END
