* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    117    175     335
    1     0 S   NP   _N1_     1    28.76647    94.92322   -21.38750
    2     1 S   H    _HN1     2     1.02782    91.93334   -70.20887
    3     1 S   H    _H1_     3     1.02955    87.35716    38.00998
    4     1 S   H    _H2_     4     1.02840    31.55009   167.67894
    5     1 S   CT   _CA1     5     1.50122   142.06583   158.65687
    6     5 S   HC   _HA1     6     1.09594   105.18136    64.32209
    7     5 S   CO3  _C1_     7     1.53683   112.18804   -55.62081
    8     7 S   O2Z  _O11     8     1.26335   115.02722   -50.41357
    9     7 S   O2Z  _O12     9     1.26242   114.76365   128.42363
   10     5 S   CT   _CB1    10     1.53044   107.39000  -178.15899
   11    10 S   HC   HB11    11     1.09823   108.95354   -53.10587
   12    10 S   HC   HB12    12     1.09816   110.60552    63.28762
   13    10 S   CT   _CG1    13     1.53044   112.78675  -174.35069
   14    13 S   HC   HG11    14     1.09580   110.35499   -67.21546
   15    13 S   HC   HG12    15     1.09653   110.07982    51.98337
   16    13 S   C    _CD1    16     1.51849   112.14995   171.91323
   17    16 S   O    _OE1    17     1.22754   123.17999    -5.41001
   18    16 S   N    _N2_    18     1.38621   111.86207   175.44336
   19    18 S   H    _HN2    19     1.01596   119.05889    -0.98198
   20    18 S   CT1  _CA2    20     1.46274   123.19880   178.22800
   21    20 S   HC   _HA2    21     1.09742   109.27872   -13.71453
   22    20 S   C    _C2_    22     1.53444   108.23211  -129.20995
   23    22 S   O    _O2_    23     1.23011   122.24768  -146.00305
   24    20 S   CT   _CB2    32     1.53326   111.80823   108.45446
   25    24 S   HC   HB21    33     1.09576   109.77526    56.57616
   26    24 S   HC   HB22    34     1.09565   110.41864   174.79173
   27    22 S   N    _N3_    24     1.38509   113.35570    41.34929
   28    27 S   H    _HN3    25     1.01528   118.91144    -0.68984
   29    24 S   S    _SG2    35     1.82494   111.83952   -65.30512
   30    27 S   CT   _CA3    26     1.45452   123.51341   174.99809
   31    30 S   HC   HA31    27     1.09518   109.31433    22.89439
   32    30 S   HC   HA32    28     1.09496   107.10636   139.92849
   33    29 S   CM   _C12    36     1.74561    99.56483   169.01922
   34    33 S   Cl   Cl1_    37     1.74810   113.67855    90.78290
   35    30 S   CO3  _C3_    29     1.52926   113.04819  -100.62293
   36    35 S   O2Z  _O31    30     1.26407   115.38584   -44.44368
   37    35 S   O2Z  _O32    31     1.26349   114.98832   136.45807
   38    33 S   CM   _C11    38     1.35699   124.20071   -90.31074
   39    38 S   CA   _C8_    39     1.48492   119.80718   179.71264
   40    38 S   CA   _C13    54     1.48657   120.85021     0.02798
   41    39 S   CA   _C7_    40     1.39881   120.11675    97.76886
   42    41 S   HA   _H7_    41     1.08730   120.74782    -0.44499
   43    40 S   CA   _C14    55     1.39952   120.75190   -79.90054
   44    43 S   HA   _H10    56     1.08731   120.73580     0.53668
   45    41 S   CA   _C6_    42     1.39628   120.08849   179.70129
   46    45 S   HA   _H6_    43     1.08749   119.23015   179.87646
   47    43 S   CA   _C15    57     1.39620   120.12045  -179.46478
   48    47 S   HA   _H11    58     1.08768   119.32698  -179.79729
   49    45 S   CA   _C5_    44     1.39886   120.67257    -0.13122
   50    47 S   CA   _C16    59     1.39853   120.64591     0.32566
   51    49 S   CA   _C10    45     1.39666   119.28040    -0.06256
   52    51 S   HA   _H9_    46     1.08547   121.92446  -179.92338
   53    49 S   OS   _O33    49     1.36960   114.88936   179.98022
   54    50 S   CA   _C17    60     1.39605   119.31702    -0.25641
   55    54 S   HA   _H12    61     1.08541   121.90316   179.88465
   56    50 S   OS   _O34    64     1.36867   114.89429   179.34568
   57    39 S   CA   _C9_    47     1.40065   120.58781   -82.85546
   58    57 S   HA   _H8_    48     1.08772   120.52361     0.38359
   59    53 S   CT   _C4_    50     1.42270   116.78750  -179.88131
   60    59 S   HC   _H3_    51     1.09429   107.75398   179.90513
   61    59 S   HC   _H4_    52     1.09501   111.13758    62.14359
   62    59 S   HC   _H5_    53     1.09501   111.13053   -62.33896
   63    40 S   CA   _C18    62     1.40047   120.04253   101.01341
   64    63 S   HA   _H13    63     1.08764   120.56209    -0.64861
   65    56 S   CT   _C19    65     1.42237   116.87442   177.98812
   66    65 S   HC   _H14    66     1.09423   107.78533  -178.86048
   67    65 S   HC   _H15    67     1.09495   111.07871    63.44252
   68    65 S   HC   _H16    68     1.09507   111.17304   -60.97442
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   8   3   2   1   1  14  12  11   8   4   8   4   7   3   7   3
   9   9   5   3   5   5   3   5   1   1   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    57    40    43    63  
   38    39    40  
   36    37  
   37  
    0  
   39    41    42    45    51    57    58    40    43    44    47    54    63    64  
   41    42    45    46    49    51    52    57    58    40    43    63  
   43    44    47    48    50    54    55    63    64    41    57  
   42    45    46    49    51    57    58    53  
   45    46    49    57  
   44    47    48    50    54    63    64    56  
   47    48    50    63  
   46    49    51    52    57    53    59  
   49    51    53  
   48    50    54    55    63    56    65  
   50    54    56  
   51    52    57    58    53    59    60    61    62  
   54    55    63    64    56    65    66    67    68  
   52    57    58    53    59  
   57    58    53  
   59    60    61    62    57  
   55    63    64    56    65  
   63    64    56  
   65    66    67    68    63  
   58  
    0  
   60    61    62  
   61    62  
   62  
    0  
   64  
    0  
   66    67    68  
   67    68  
   68  
    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  -0.175000   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   3.5500   0.0760   0.127500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   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    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   240.000  1.763
   33    34   300.000  1.725
   33    38   549.000  1.340
   38    39   320.000  1.460
   38    40   320.000  1.460
   39    41   469.000  1.400
   39    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   53    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   40    43   469.000  1.400
   40    63   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   367.000  1.080
   54    63   469.000  1.400
   63    64   367.000  1.080
   56    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    75.00000  112.00000
   29    33    38    65.00000  122.11800
   33    38    39    60.00000  123.20500
   33    38    40    60.00000  123.20500
   38    33    34    75.00000  121.50000
   38    39    41    60.00000  120.93500
   38    39    57    60.00000  120.93500
   38    40    43    60.00000  120.93500
   38    40    63    60.00000  120.93500
   39    41    42    35.00000  120.00000
   39    41    45    63.00000  120.00000
   39    57    51    63.00000  120.00000
   39    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    51    63.00000  120.00000
   45    49    53    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    57    63.00000  120.00000
   49    53    59    75.00000  111.00000
   51    57    58    35.00000  120.00000
   57    39    41    63.00000  120.00000
   57    51    52    35.00000  120.00000
   53    49    51    70.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   40    38    39    60.00000  122.92000
   40    43    44    35.00000  120.00000
   40    43    47    63.00000  120.00000
   40    63    54    63.00000  120.00000
   40    63    64    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    50    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    50    54    63.00000  120.00000
   47    50    56    70.00000  120.00000
   50    47    48    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    63    63.00000  120.00000
   50    56    65    75.00000  111.00000
   54    63    64    35.00000  120.00000
   63    40    43    63.00000  120.00000
   63    54    55    35.00000  120.00000
   56    50    54    70.00000  120.00000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    39    41   0.15800  1.0 1.0
   33    38    39    41   1.85350 -1.0 2.0
   33    38    39    41  -0.48700  1.0 3.0
   33    38    39    57   0.15800  1.0 1.0
   33    38    39    57   1.85350 -1.0 2.0
   33    38    39    57  -0.48700  1.0 3.0
   33    38    40    43   0.15800  1.0 1.0
   33    38    40    43   1.85350 -1.0 2.0
   33    38    40    43  -0.48700  1.0 3.0
   33    38    40    63   0.15800  1.0 1.0
   33    38    40    63   1.85350 -1.0 2.0
   33    38    40    63  -0.48700  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    39    41    42   3.62500 -1.0 2.0
   38    39    41    45   3.62500 -1.0 2.0
   38    39    57    51   3.62500 -1.0 2.0
   38    39    57    58   3.62500 -1.0 2.0
   38    40    43    44   3.62500 -1.0 2.0
   38    40    43    47   3.62500 -1.0 2.0
   38    40    63    54   3.62500 -1.0 2.0
   38    40    63    64   3.62500 -1.0 2.0
   39    38    40    43  -0.01750  1.0 1.0
   39    38    40    43  -0.32000 -1.0 2.0
   39    38    40    43   0.00600  1.0 3.0
   39    38    40    63  -0.01750  1.0 1.0
   39    38    40    63  -0.32000 -1.0 2.0
   39    38    40    63   0.00600  1.0 3.0
   39    41    45    46   3.62500 -1.0 2.0
   39    41    45    49   3.62500 -1.0 2.0
   41    39    57    51   3.62500 -1.0 2.0
   41    39    57    58   3.62500 -1.0 2.0
   41    45   -49    51   3.62500 -1.0 2.0
   41    45    49    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    51    52   3.62500 -1.0 2.0
   45    49    51    57   3.62500 -1.0 2.0
   45    49    53    59   1.63200 -1.0 2.0
   46    45    49    51   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    51   -57    39   3.62500 -1.0 2.0
   49    51    57    58   3.62500 -1.0 2.0
   49    53    59    60   0.08050  1.0 3.0
   49    53    59    61   0.08050  1.0 3.0
   49    53    59    62   0.08050  1.0 3.0
   51    49    53    59   1.63200 -1.0 2.0
   52    51    57    39   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   57    39    41    42   3.62500 -1.0 2.0
   57    39   -41    45   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    49    51    57   3.62500 -1.0 2.0
   40    38    39    41  -0.01750  1.0 1.0
   40    38    39    41  -0.32000 -1.0 2.0
   40    38    39    41   0.00600  1.0 3.0
   40    38    39    57  -0.01750  1.0 1.0
   40    38    39    57  -0.32000 -1.0 2.0
   40    38    39    57   0.00600  1.0 3.0
   40    43    47    48   3.62500 -1.0 2.0
   40    43    47    50   3.62500 -1.0 2.0
   43    40    63    54   3.62500 -1.0 2.0
   43    40    63    64   3.62500 -1.0 2.0
   43    47   -50    54   3.62500 -1.0 2.0
   43    47    50    56   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    50   3.62500 -1.0 2.0
   47    50    54    55   3.62500 -1.0 2.0
   47    50    54    63   3.62500 -1.0 2.0
   47    50    56    65   1.63200 -1.0 2.0
   48    47    50    54   3.62500 -1.0 2.0
   48    47    50    56   3.62500 -1.0 2.0
   50    54   -63    40   3.62500 -1.0 2.0
   50    54    63    64   3.62500 -1.0 2.0
   50    56    65    66   0.08050  1.0 3.0
   50    56    65    67   0.08050  1.0 3.0
   50    56    65    68   0.08050  1.0 3.0
   54    50    56    65   1.63200 -1.0 2.0
   55    54    63    40   3.62500 -1.0 2.0
   55    54    63    64   3.62500 -1.0 2.0
   63    40    43    44   3.62500 -1.0 2.0
   63    40   -43    47   3.62500 -1.0 2.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    63   3.62500 -1.0 2.0
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
   29    34    33    38  15.00000 -1.0 2.0
   39    40    38    33  15.00000 -1.0 2.0
   41    57    39    38   4.00000 -1.0 2.0
   45    42    41    39   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   51    53    49    45   4.00000 -1.0 2.0
   57    52    51    49   1.10000 -1.0 2.0
   51    58    57    39   1.10000 -1.0 2.0
   43    63    40    38   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   50    48    47    43   1.10000 -1.0 2.0
   54    56    50    47   4.00000 -1.0 2.0
   63    55    54    50   1.10000 -1.0 2.0
   54    64    63    40   1.10000 -1.0 2.0
END
