* LIGAND DATABASE FILE (OPLS2005)
*
001      93    96    167    253     478
    1     0 S   NP   _N1_     1    28.82054    94.52245   -19.93156
    2     1 S   H    _HN1     2     1.02766    82.80133   -86.68858
    3     1 S   H    _H1_     3     1.02922    95.66707    21.00115
    4     1 S   H    _H2_     4     1.02813    33.09795   133.64134
    5     1 S   CT   _CA1     5     1.50066   142.55723   155.57647
    6     5 S   HC   _HA1     6     1.09583   105.17098    47.20187
    7     5 S   CO3  _C1_     7     1.53741   112.41546   -72.77140
    8     7 S   O2Z  _O11     8     1.26318   115.06793   -44.19563
    9     7 S   O2Z  _O12     9     1.26246   114.88350   134.76146
   10     5 S   CT   _CB1    10     1.53062   107.31198   164.86342
   11    10 S   HC   HB11    11     1.09816   109.05270   -51.95286
   12    10 S   HC   HB12    12     1.09824   110.50447    64.45837
   13    10 S   CT   _CG1    13     1.53032   112.78444  -173.20941
   14    13 S   HC   HG11    14     1.09611   110.19339   -66.12018
   15    13 S   HC   HG12    15     1.09641   110.17274    53.08289
   16    13 S   C    _CD1    16     1.51848   112.25224   173.08485
   17    16 S   O    _OE1    17     1.22755   123.13897    -9.58728
   18    16 S   N    _N2_    18     1.38624   111.77795   171.21365
   19    18 S   H    _HN2    19     1.01585   119.11426    -0.30196
   20    18 S   CT1  _CA2    20     1.46331   123.36497  -178.05942
   21    20 S   HC   _HA2    21     1.09740   109.26159   -12.92018
   22    20 S   C    _C2_    22     1.53422   108.69720  -128.62906
   23    22 S   O    _O2_    23     1.23030   122.20981  -148.54531
   24    20 S   CT   _CB2    32     1.53554   111.30243   108.98712
   25    24 S   HC   HB21    33     1.09421   109.26458    58.37407
   26    24 S   HC   HB22    34     1.09523   110.54250   176.34543
   27    22 S   N    _N3_    24     1.38511   113.42378    39.04220
   28    27 S   H    _HN3    25     1.01530   118.81321    -1.03703
   29    24 S   S    _SG2    35     1.83309   110.87390   -64.91236
   30    27 S   CT   _CA3    26     1.45443   123.57393   175.09364
   31    30 S   HC   HA31    27     1.09521   109.35716    21.96915
   32    30 S   HC   HA32    28     1.09504   107.09128   138.97928
   33    29 S   CT   _C14    36     1.85316   102.73136   143.43527
   34    33 S   OM   _O35    37     1.31862   113.13873   -53.58074
   35    30 S   CO3  _C3_    29     1.52918   113.03248  -101.59910
   36    35 S   O2Z  _O31    30     1.26416   115.37811   -45.50616
   37    35 S   O2Z  _O32    31     1.26356   115.00890   135.43122
   38    33 S   CT   _C15    38     1.54312   107.13261    64.54956
   39    38 S   HC   _H9_    39     1.09812   110.97154    58.88673
   40    38 S   HC   _H10    40     1.09724   113.81960   -63.45197
   41    38 S   HC   _H11    41     1.09975   111.10608   175.53410
   42    33 S   OS   _O34    42     1.45179   112.12998   177.76043
   43    42 S   CA   _C11    43     1.36876   123.43582    59.34267
   44    43 S   CA   _C10    44     1.39296   126.88237    12.85197
   45    44 S   HA   _H7_    45     1.08459   122.21023     0.34718
   46    44 S   CA   _C9_    46     1.40051   120.42933  -179.57664
   47    46 S   HA   _H6_    47     1.08742   117.67056   179.33090
   48    46 S   CA   _C8_    48     1.40190   121.17056    -0.68099
   49    48 S   CA   _C13    49     1.39306   117.97382    -0.72118
   50    43 S   CA   _C12    50     1.39727   114.50070  -167.93868
   51    50 S   HA   _H8_    51     1.08799   119.66903     0.33920
   52    49 S   OS   _O33    52     1.36439   122.72472   179.31529
   53    52 S   CT   _C5_    53     1.44755   116.89593    23.75727
   54    53 S   CM   _C6_    54     1.53455   113.41537   -34.19167
   55    53 S   CT   _C4_    86     1.54073   103.26540  -156.75583
   56    55 S   HC   _H3_    87     1.09711   110.68104   -51.58261
   57    55 S   HC   _H4_    88     1.09488   112.66475  -172.07680
   58    55 S   HC   _H5_    89     1.09654   110.87184    65.82349
   59    53 S   CT   _C30    90     1.53959   106.89449    88.72841
   60    59 S   HC   _H26    91     1.09658   110.72708    48.50431
   61    59 S   HC   _H27    92     1.09630   111.29563   -69.46230
   62    59 S   HC   _H28    93     1.09444   112.18781   169.23526
   63    54 S   CA   _C23    55     1.48341   117.01051  -157.70024
   64    48 S   CM   _C7_    70     1.48006   121.91276   177.62084
   65    63 S   CA   _C24    56     1.40026   120.32453    96.73659
   66    65 S   HA   _H19    57     1.08748   120.60731    -1.24506
   67    64 S   CA   _C16    71     1.48376   123.23855   -10.47341
   68    65 S   CA   _C25    58     1.39614   120.28443   178.69509
   69    68 S   HA   _H20    59     1.08741   119.24098   179.91844
   70    67 S   CA   _C17    72     1.39898   120.13109   -84.25126
   71    70 S   HA   _H12    73     1.08734   120.62759    -0.18023
   72    68 S   CA   _C26    60     1.39818   120.62477    -0.25023
   73    70 S   CA   _C18    74     1.39586   120.08596   180.00000
   74    73 S   HA   _H13    75     1.08740   119.20824   179.83568
   75    72 S   CA   _C27    61     1.39627   119.24567    -0.03956
   76    75 S   HA   _H21    62     1.08546   121.92424  -179.66312
   77    72 S   OS   _O37    65     1.36947   114.90818  -179.90935
   78    73 S   CA   _C19    76     1.39891   120.62667    -0.25944
   79    63 S   CA   _C28    63     1.40013   120.64182   -85.10953
   80    79 S   HA   _H22    64     1.08757   120.54290     0.66735
   81    77 S   CT   _C29    66     1.42269   116.78385   179.76261
   82    81 S   HC   _H23    67     1.09428   107.75488  -179.96574
   83    81 S   HC   _H24    68     1.09501   111.13384    62.26992
   84    81 S   HC   _H25    69     1.09502   111.13278   -62.21174
   85    78 S   CA   _C20    77     1.39634   119.33153    -0.05595
   86    85 S   HA   _H14    78     1.08541   122.01816  -179.37505
   87    78 S   OS   _O36    81     1.36974   114.88460  -179.17861
   88    67 S   CA   _C21    79     1.40027   120.55989    95.17488
   89    88 S   HA   _H15    80     1.08768   120.47047    -0.28939
   90    87 S   CT   _C22    82     1.42301   116.70611  -178.51023
   91    90 S   HC   _H16    83     1.09426   107.73747   178.79131
   92    90 S   HC   _H17    84     1.09503   111.18988    60.98464
   93    90 S   HC   _H18    85     1.09505   111.06015   -63.52523
  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
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  11
   9   4   1  12  14  19   9   3   2   1   5   2   1   1  11   9
   8   4   9   7   3   8   4   9   7   3   5   3   5   9   1   1
   3   2   1   1   5   3   5   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    50  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    51  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49    50    51    64  
   46    47    48    50  
   47    48    49    50    52    54    64    67  
   48    49    64  
   49    50    51    52    53    54    63    64    67    70    88  
   50    51    52    53    54    64    67    55    59  
   51    52    53    64  
   52  
   53    54    63    64    55    56    57    58    59    60    61    62  
   54    63    65    79    64    67    55    56    57    58    59    60    61    62  
   63    65    66    68    75    79    80    64    67    70    88    55    56    57    58    59    60    61    62  
   56    57    58    59    60    61    62    63    64  
   57    58    59  
   58    59  
   59  
   60    61    62    63    64  
   61    62  
   62  
    0  
   65    66    68    69    72    75    76    79    80    64    67  
   67    70    71    73    85    88    89    65    79  
   66    68    69    72    75    79    80    77  
   68    69    72    79  
   70    71    73    74    78    85    86    88    89  
   69    72    75    76    79    77    81  
   72    75    77  
   71    73    74    78    85    88    89    87  
   73    74    78    88  
   75    76    79    80    77    81    82    83    84  
   74    78    85    86    88    87    90  
   78    85    87  
   76    79    80    77    81  
   79    80    77  
   81    82    83    84    79  
   85    86    88    89    87    90    91    92    93  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
   86    88    89    87    90  
   88    89    87  
   90    91    92    93    88  
   89  
    0  
   91    92    93  
   92    93  
   93  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   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   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    64   320.000  1.460
   49    50   469.000  1.400
   49    52   450.000  1.364
   50    51   367.000  1.080
   52    53   320.000  1.410
   53    54   317.000  1.510
   53    55   268.000  1.529
   53    59   268.000  1.529
   54    63   320.000  1.460
   54    64   549.000  1.340
   63    65   469.000  1.400
   63    79   469.000  1.400
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    75   469.000  1.400
   72    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   64    67   320.000  1.460
   67    70   469.000  1.400
   67    88   469.000  1.400
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    85   469.000  1.400
   78    87   450.000  1.364
   85    86   367.000  1.080
   85    88   469.000  1.400
   88    89   367.000  1.080
   87    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    51    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    64    60.00000  120.93500
   48    46    47    35.00000  120.00000
   48    49    50    63.00000  120.00000
   48    49    52    70.00000  120.00000
   48    64    54    60.00000  123.20500
   48    64    67    60.00000  124.00000
   49    50    51    35.00000  120.00000
   49    52    53    75.00000  111.00000
   50    43    44    63.00000  120.00000
   52    49    50    70.00000  120.00000
   52    53    54    85.00000  110.90400
   52    53    55    50.00000  109.50000
   52    53    59    50.00000  109.50000
   53    54    63    60.00000  124.00000
   53    54    64    70.00000  124.00000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   54    63    65    60.00000  118.70000
   54    63    79    60.00000  118.70000
   54    64    67    60.00000  123.66000
   63    65    66    35.00000  120.00000
   63    65    68    63.00000  120.00000
   63    79    75    63.00000  120.00000
   63    79    80    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   68    65    66    35.00000  120.00000
   68    72    75    63.00000  120.00000
   68    72    77    70.00000  120.00000
   72    68    69    35.00000  120.00000
   72    75    76    35.00000  120.00000
   72    75    79    63.00000  120.00000
   72    77    81    75.00000  111.00000
   75    79    80    35.00000  120.00000
   79    63    65    63.00000  120.00000
   79    75    76    35.00000  120.00000
   77    72    75    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   64    48    49    60.00000  120.93500
   64    54    63    60.00000  123.66000
   64    67    70    60.00000  118.70000
   64    67    88    60.00000  118.70000
   67    70    71    35.00000  120.00000
   67    70    73    63.00000  120.00000
   67    88    85    63.00000  120.00000
   67    88    89    35.00000  120.00000
   70    73    74    35.00000  120.00000
   70    73    78    63.00000  120.00000
   73    70    71    35.00000  120.00000
   73    78    85    63.00000  120.00000
   73    78    87    70.00000  120.00000
   78    73    74    35.00000  120.00000
   78    85    86    35.00000  120.00000
   78    85    88    63.00000  120.00000
   78    87    90    75.00000  111.00000
   85    88    89    35.00000  120.00000
   88    67    70    63.00000  120.00000
   88    85    86    35.00000  120.00000
   87    78    85    70.00000  120.00000
   87    90    91    35.00000  109.50000
   87    90    92    35.00000  109.50000
   87    90    93    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   55    53    54    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    53    54    70.00000  112.02700
   59    53    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    50   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    51   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    64   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    64    54   0.15800  1.0 1.0
   46    48    64    54   1.85350 -1.0 2.0
   46    48    64    54  -0.48700  1.0 3.0
   46    48    64    67  -0.01750  1.0 1.0
   46    48    64    67  -0.32000 -1.0 2.0
   46    48    64    67   0.00600  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    64   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49    52    53   1.63200 -1.0 2.0
   48    64    67    70  -0.01750  1.0 1.0
   48    64    67    70  -0.32000 -1.0 2.0
   48    64    67    70   0.00600  1.0 3.0
   48    64    67    88  -0.01750  1.0 1.0
   48    64    67    88  -0.32000 -1.0 2.0
   48    64    67    88   0.00600  1.0 3.0
   49    48    64    54   0.15800  1.0 1.0
   49    48    64    54   1.85350 -1.0 2.0
   49    48    64    54  -0.48700  1.0 3.0
   49    48    64    67  -0.01750  1.0 1.0
   49    48    64    67  -0.32000 -1.0 2.0
   49    48    64    67   0.00600  1.0 3.0
   49    52   -53    54  -0.25600  1.0 1.0
   49    52   -53    54  -0.40050 -1.0 2.0
   49    52   -53    54   0.34700  1.0 3.0
   49    52    53    55  -0.32850  1.0 1.0
   49    52    53    55  -0.35800 -1.0 2.0
   49    52    53    55   0.33950  1.0 3.0
   49    52    53    59  -0.32850  1.0 1.0
   49    52    53    59  -0.35800 -1.0 2.0
   49    52    53    59   0.33950  1.0 3.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    52    53   1.63200 -1.0 2.0
   52    49    50    43   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    53    54    63   0.09700  1.0 1.0
   52    53    54    63   0.15600 -1.0 2.0
   52    53    54    63  -0.50800  1.0 3.0
   52    53    54    64   0.39000  1.0 1.0
   52    53    54    64  -0.05800 -1.0 2.0
   52    53    54    64  -0.55150  1.0 3.0
   52    53    55    56   0.23400  1.0 3.0
   52    53    55    57   0.23400  1.0 3.0
   52    53    55    58   0.23400  1.0 3.0
   52    53    59    60   0.23400  1.0 3.0
   52    53    59    61   0.23400  1.0 3.0
   52    53    59    62   0.23400  1.0 3.0
   53    54    63    65  -0.02500  1.0 1.0
   53    54    63    65  -0.32150 -1.0 2.0
   53    54    63    65  -0.01500  1.0 3.0
   53    54    63    79  -0.02500  1.0 1.0
   53    54    63    79  -0.32150 -1.0 2.0
   53    54    63    79  -0.01500  1.0 3.0
   53    54   -64    48   7.00000 -1.0 2.0
   53    54    64    67   7.00000 -1.0 2.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    63    65    66   3.62500 -1.0 2.0
   54    63    65    68   3.62500 -1.0 2.0
   54    63    79    75   3.62500 -1.0 2.0
   54    63    79    80   3.62500 -1.0 2.0
   54    64    67    70   0.15800  1.0 1.0
   54    64    67    70   1.85350 -1.0 2.0
   54    64    67    70  -0.48700  1.0 3.0
   54    64    67    88   0.15800  1.0 1.0
   54    64    67    88   1.85350 -1.0 2.0
   54    64    67    88  -0.48700  1.0 3.0
   63    54    64    48   7.00000 -1.0 2.0
   63    54    64    67   7.00000 -1.0 2.0
   63    65    68    69   3.62500 -1.0 2.0
   63    65    68    72   3.62500 -1.0 2.0
   65    63    79    75   3.62500 -1.0 2.0
   65    63    79    80   3.62500 -1.0 2.0
   65    68   -72    75   3.62500 -1.0 2.0
   65    68    72    77   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    72   3.62500 -1.0 2.0
   68    72    75    76   3.62500 -1.0 2.0
   68    72    75    79   3.62500 -1.0 2.0
   68    72    77    81   1.63200 -1.0 2.0
   69    68    72    75   3.62500 -1.0 2.0
   69    68    72    77   3.62500 -1.0 2.0
   72    75   -79    63   3.62500 -1.0 2.0
   72    75    79    80   3.62500 -1.0 2.0
   72    77    81    82   0.08050  1.0 3.0
   72    77    81    83   0.08050  1.0 3.0
   72    77    81    84   0.08050  1.0 3.0
   75    72    77    81   1.63200 -1.0 2.0
   76    75    79    63   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   79    63    65    66   3.62500 -1.0 2.0
   79    63   -65    68   3.62500 -1.0 2.0
   77    72    75    76   3.62500 -1.0 2.0
   77    72    75    79   3.62500 -1.0 2.0
   64    48    49    50   3.62500 -1.0 2.0
   64    48   -49    52   3.62500 -1.0 2.0
   64    54    63    65   0.15800  1.0 1.0
   64    54    63    65   1.85350 -1.0 2.0
   64    54    63    65  -0.48700  1.0 3.0
   64    54    63    79   0.15800  1.0 1.0
   64    54    63    79   1.85350 -1.0 2.0
   64    54    63    79  -0.48700  1.0 3.0
   64    67    70    71   3.62500 -1.0 2.0
   64    67    70    73   3.62500 -1.0 2.0
   64    67    88    85   3.62500 -1.0 2.0
   64    67    88    89   3.62500 -1.0 2.0
   67    70    73    74   3.62500 -1.0 2.0
   67    70    73    78   3.62500 -1.0 2.0
   70    67    88    85   3.62500 -1.0 2.0
   70    67    88    89   3.62500 -1.0 2.0
   70    73   -78    85   3.62500 -1.0 2.0
   70    73    78    87   3.62500 -1.0 2.0
   71    70    73    74   3.62500 -1.0 2.0
   71    70    73    78   3.62500 -1.0 2.0
   73    78    85    86   3.62500 -1.0 2.0
   73    78    85    88   3.62500 -1.0 2.0
   73    78    87    90   1.63200 -1.0 2.0
   74    73    78    85   3.62500 -1.0 2.0
   74    73    78    87   3.62500 -1.0 2.0
   78    85   -88    67   3.62500 -1.0 2.0
   78    85    88    89   3.62500 -1.0 2.0
   78    87    90    91   0.08050  1.0 3.0
   78    87    90    92   0.08050  1.0 3.0
   78    87    90    93   0.08050  1.0 3.0
   85    78    87    90   1.63200 -1.0 2.0
   86    85    88    67   3.62500 -1.0 2.0
   86    85    88    89   3.62500 -1.0 2.0
   88    67    70    71   3.62500 -1.0 2.0
   88    67   -70    73   3.62500 -1.0 2.0
   87    78    85    86   3.62500 -1.0 2.0
   87    78    85    88   3.62500 -1.0 2.0
   55    53    54    63  -0.01700  1.0 1.0
   55    53    54    63   0.06550 -1.0 2.0
   55    53    54    63  -0.91500  1.0 3.0
   55    53    54    64   0.09850  1.0 1.0
   55    53    54    64   0.15250 -1.0 2.0
   55    53    54    64  -0.50650  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   59    53    54    63  -0.01700  1.0 1.0
   59    53    54    63   0.06550 -1.0 2.0
   59    53    54    63  -0.91500  1.0 3.0
   59    53    54    64   0.09850  1.0 1.0
   59    53    54    64   0.15250 -1.0 2.0
   59    53    54    64  -0.50650  1.0 3.0
   59    53    55    56   0.15000  1.0 3.0
   59    53    55    57   0.15000  1.0 3.0
   59    53    55    58   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    64    48    46   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   49    51    50    43   1.10000 -1.0 2.0
   53    63    54    64   1.10000 -1.0 2.0
   65    79    63    54   4.00000 -1.0 2.0
   68    66    65    63   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   75    77    72    68   4.00000 -1.0 2.0
   79    76    75    72   1.10000 -1.0 2.0
   75    80    79    63   1.10000 -1.0 2.0
   48    67    64    54   1.10000 -1.0 2.0
   70    88    67    64   4.00000 -1.0 2.0
   73    71    70    67   1.10000 -1.0 2.0
   78    74    73    70   1.10000 -1.0 2.0
   85    87    78    73   4.00000 -1.0 2.0
   88    86    85    78   1.10000 -1.0 2.0
   85    89    88    67   1.10000 -1.0 2.0
END
