* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    124    185     357
    1     0 S   NP   _N1_     1    28.62174    96.20848   -22.98211
    2     1 S   H    _HN1     2     1.02787   102.52761   -92.06048
    3     1 S   H    _H1_     3     1.02949    73.63031    13.66241
    4     1 S   H    _H2_     4     1.02828    37.89486   164.84166
    5     1 S   CT   _CA1     5     1.50110   140.69523   116.08725
    6     5 S   HC   _HA1     6     1.09573   105.19571    88.86889
    7     5 S   CO3  _C1_     7     1.53783   112.42801   -31.37512
    8     7 S   O2Z  _O11     8     1.26372   115.01145   -43.48918
    9     7 S   O2Z  _O12     9     1.26235   114.94247   135.60561
   10     5 S   CT   _CB1    10     1.53073   107.41669  -153.16050
   11    10 S   HC   HB11    11     1.09835   109.37358   -49.70109
   12    10 S   HC   HB12    12     1.09812   110.45707    66.90368
   13    10 S   CT   _CG1    13     1.52996   112.60503  -170.66293
   14    13 S   HC   HG11    14     1.09581   110.65433   -65.69951
   15    13 S   HC   HG12    15     1.09670   109.77134    53.53656
   16    13 S   C    _CD1    16     1.51805   112.16543   174.00109
   17    16 S   O    _OE1    17     1.22741   123.25305     7.91244
   18    16 S   N    _N2_    18     1.38631   111.69658  -172.16985
   19    18 S   H    _HN2    19     1.01593   119.02427     1.53608
   20    18 S   CT1  _CA2    20     1.46238   123.43765   177.55335
   21    20 S   HC   _HA2    21     1.09743   109.27833     4.94831
   22    20 S   C    _C2_    22     1.53643   109.11541  -110.54453
   23    22 S   O    _O2_    23     1.23075   122.19876  -151.78004
   24    20 S   CT   _CB2    32     1.53452   111.39187   126.86802
   25    24 S   HC   HB21    33     1.09405   109.34724    55.43488
   26    24 S   HC   HB22    34     1.09394   109.78935   174.66402
   27    22 S   N    _N3_    24     1.38307   113.89110    35.85590
   28    27 S   H    _HN3    25     1.01556   119.56458    -3.67461
   29    24 S   S    _SG2    35     1.82868   111.00183   -65.52852
   30    27 S   CT   _CA3    26     1.45274   123.24695   177.06729
   31    30 S   HC   HA31    27     1.09548   107.54692   -63.83920
   32    30 S   HC   HA32    28     1.09556   107.95362    52.60551
   33    29 S   CT   _C13    36     1.84352   102.02946   177.30659
   34    33 S   HC   _H3_    37     1.09678   106.37697   176.93184
   35    30 S   CO3  _C3_    29     1.52963   114.05663   174.57722
   36    35 S   O2Z  _O31    30     1.26381   116.07300    -0.37220
   37    35 S   O2Z  _O32    31     1.26428   114.41834   179.67374
   38    33 S   CA   _C7_    38     1.51589   113.33481    60.66734
   39    38 S   CA   _C6_    39     1.41361   118.13265  -104.63084
   40    39 S   CA   _C8_    40     1.41113   121.28432  -179.02381
   41    39 S   CO4  _C10    60     1.48828   118.11417     2.12863
   42    41 S   O    _O17    61     1.22866   119.81943   148.48900
   43    40 S   CA   _C4_    41     1.39696   118.51856    -1.64758
   44    43 S   HA   _H19    42     1.08768   120.51329  -179.34151
   45    40 S   CT   _C14    56     1.50408   123.57514   178.54451
   46    45 S   HC   _H22    57     1.09473   110.81640   -47.87347
   47    45 S   HC   _H23    58     1.09428   110.38040    74.31258
   48    45 S   HC   _H24    59     1.09580   111.39183  -166.20896
   49    41 S   CMA  _C11    62     1.51348   118.67999   -30.97067
   50    49 S   OM   _O16    63     1.26316   114.52204  -150.94281
   51    43 S   CA   _C5_    43     1.39192   120.80276     1.10836
   52    51 S   HA   _H20    44     1.08777   117.94017   179.47885
   53    33 S   CM   _C12    64     1.51613   110.83011   -69.78043
   54    38 S   CA   _C9_    45     1.42044   122.50287    75.16382
   55    53 S   CT   _C15    65     1.51718   114.34402   -76.78277
   56    55 S   HC   _H25    66     1.09529   110.11966   -57.10145
   57    55 S   HC   _H26    67     1.09433   113.25714  -176.92884
   58    55 S   HC   _H27    68     1.09451   110.64003    62.80686
   59    54 S   CT   _C18    46     1.52712   123.45694     0.43566
   60    59 S   HC   _H34    47     1.09182   110.57702    -2.03557
   61    59 S   CT   _C16    48     1.53324   111.83040  -119.74467
   62    61 S   HC   _H28    49     1.09507   112.24606   -65.85790
   63    61 S   HC   _H29    50     1.09557   110.43071   174.29085
   64    61 S   HC   _H30    51     1.09563   110.94770    54.83447
   65    59 S   CT   _C17    52     1.53264   111.40250   115.59976
   66    65 S   HC   _H31    53     1.09521   112.16948    64.83741
   67    65 S   HC   _H32    54     1.09573   110.85437   -55.73393
   68    65 S   HC   _H33    55     1.09551   110.50332  -175.18309
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  15   6   2   1   1  16  15  12   8   3   9   4   4   2   1   1
   6   2   6   2   5  10   3   2   1   1   9   8   7   3   2   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    54    49    53    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    51    54    59    41    49    50    53    55    56    57    58  
   38    39    54    49    53    55  
   36    37  
   37  
    0  
   39    40    43    51    52    54    59    60    61    65    45    41    42    49    53    55  
   40    43    44    51    54    59    45    46    47    48    41    42    49    50    53  
   43    44    51    52    54    45    46    47    48    41    42    49  
   42    49    50    53    55    43    45    54  
   49    50    53  
   44    51    52    54    59    45    46    47    48  
   51    52    54    45  
   46    47    48    51  
   47    48  
   48  
    0  
   50    53    55    56    57    58  
   53    55  
   52    54    59    60    61    65  
   54    59  
   55    56    57    58    54  
   59    60    61    62    63    64    65    66    67    68  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   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  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    53   317.000  1.510
   38    39   469.000  1.400
   38    54   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    45   317.000  1.510
   43    44   367.000  1.080
   43    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   570.000  1.229
   41    49   270.000  1.476
   49    50   745.000  1.250
   49    53   465.000  1.376
   53    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    53    75.00000  112.20000
   33    38    39    70.00000  120.00000
   33    38    54    70.00000  120.00000
   33    53    49    70.00000  124.00000
   33    53    55    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    54    51    63.00000  120.00000
   38    54    59    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    45    70.00000  120.00000
   39    41    42    75.00000  123.78400
   39    41    49    60.00000  117.44000
   40    43    44    35.00000  120.00000
   40    43    51    63.00000  120.00000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    51    52    35.00000  120.00000
   43    51    54    63.00000  120.00000
   51    43    44    35.00000  120.00000
   51    54    59    70.00000  120.00000
   54    38    39    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    70.00000  112.17500
   54    59    65    70.00000  112.17500
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   61    59    60    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    40    43    70.00000  120.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    39    40    60.00000  119.52600
   41    49    50    85.00000  116.28000
   41    49    53    65.00000  114.61000
   49    41    42    80.00000  120.81000
   49    53    55    70.00000  124.00000
   53    33    34    35.00000  109.50000
   53    33    38    70.00000  112.99600
   53    49    50    65.00000  137.10300
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    54  -0.16000  1.0 1.0
   29    33    38    54  -0.03200 -1.0 2.0
   29    33    38    54   0.04500  1.0 3.0
   29    33    53    49   0.42700  1.0 1.0
   29    33    53    49  -0.70350 -1.0 2.0
   29    33    53    49  -0.43150  1.0 3.0
   29    33    53    55   0.30250  1.0 1.0
   29    33    53    55  -0.14950 -1.0 2.0
   29    33    53    55   0.36900  1.0 3.0
   33    38    39    40   3.62500 -1.0 2.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    54    51   3.62500 -1.0 2.0
   33    38    54    59   3.62500 -1.0 2.0
   33    53    55    56   0.34800  1.0 3.0
   33    53    55    57   0.34800  1.0 3.0
   33    53    55    58   0.34800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    53    49   0.00000  1.0 1.0
   34    33    53    55   0.34800  1.0 3.0
   38    33    53    49   1.44450  1.0 1.0
   38    33    53    49   0.06600 -1.0 2.0
   38    33    53    49   0.29250  1.0 3.0
   38    33    53    55   0.09700  1.0 1.0
   38    33    53    55   0.15600 -1.0 2.0
   38    33    53    55  -0.50800  1.0 3.0
   38    39    40    43   3.62500 -1.0 2.0
   38    39    40    45   3.62500 -1.0 2.0
   38    39    41    42   1.05000 -1.0 2.0
   38    39   -41    49  -0.11500  1.0 1.0
   38    39   -41    49   1.10450 -1.0 2.0
   38    39   -41    49  -0.48050  1.0 3.0
   38    54    59    60   0.00000  1.0 1.0
   38    54    59    61   0.04150 -1.0 2.0
   38    54    59    65   0.04150 -1.0 2.0
   39    38    54    51   3.62500 -1.0 2.0
   39    38    54    59   3.62500 -1.0 2.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40   -43    51   3.62500 -1.0 2.0
   39    40    45    46   0.00000  1.0 1.0
   39    40    45    47   0.00000  1.0 1.0
   39    40    45    48   0.00000  1.0 1.0
   39    41    49    50   1.50000 -1.0 2.0
   39    41    49    53  -1.65800  1.0 1.0
   39    41    49    53   0.77650 -1.0 2.0
   40    39    41    42   1.05000 -1.0 2.0
   40    39    41    49  -0.11500  1.0 1.0
   40    39    41    49   1.10450 -1.0 2.0
   40    39    41    49  -0.48050  1.0 3.0
   40    43    51    52   3.62500 -1.0 2.0
   40    43    51    54   3.62500 -1.0 2.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    51   -54    38   3.62500 -1.0 2.0
   43    51    54    59   3.62500 -1.0 2.0
   44    43    51    52   3.62500 -1.0 2.0
   44    43    51    54   3.62500 -1.0 2.0
   51    54    59    60   0.00000  1.0 1.0
   51    54    59    61   0.04150 -1.0 2.0
   51    54    59    65   0.04150 -1.0 2.0
   52    51    54    38   3.62500 -1.0 2.0
   52    51    54    59   3.62500 -1.0 2.0
   54    38   -39    40   3.62500 -1.0 2.0
   54    38    39    41   3.62500 -1.0 2.0
   54    59    61    62   0.43200  1.0 3.0
   54    59    61    63   0.43200  1.0 3.0
   54    59    61    64   0.43200  1.0 3.0
   54    59    65    66   0.43200  1.0 3.0
   54    59    65    67   0.43200  1.0 3.0
   54    59    65    68   0.43200  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    68   0.15000  1.0 3.0
   65    59    61    62   0.15000  1.0 3.0
   65    59    61    63   0.15000  1.0 3.0
   65    59    61    64   0.15000  1.0 3.0
   45    40    43    44   3.62500 -1.0 2.0
   45    40    43    51   3.62500 -1.0 2.0
   41    39    40    43   3.62500 -1.0 2.0
   41    39    40    45   3.62500 -1.0 2.0
   41    49   -53    33   7.00000 -1.0 2.0
   41    49    53    55   7.00000 -1.0 2.0
   42    41    49    50  -0.11900  1.0 1.0
   42    41    49    50   0.76850 -1.0 2.0
   42    41    49    50   0.14100  1.0 3.0
   42    41    49    53   1.00000 -1.0 2.0
   49    53    55    56   0.00000  1.0 1.0
   49    53    55    57   0.00000  1.0 1.0
   49    53    55    58   0.00000  1.0 1.0
   50    49    53    33   7.00000 -1.0 2.0
   50    49    53    55   7.00000 -1.0 2.0
   53    33   -38    39   0.18050 -1.0 2.0
   53    33    38    54   0.18050 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   39    54    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    45    40    39   4.00000 -1.0 2.0
   51    44    43    40   1.10000 -1.0 2.0
   54    52    51    43   1.10000 -1.0 2.0
   51    59    54    38   4.00000 -1.0 2.0
   39    49    41    42  10.50000 -1.0 2.0
   41    50    49    53   1.10000 -1.0 2.0
   33    55    53    49   1.10000 -1.0 2.0
END
