* LIGAND DATABASE FILE (OPLS2005)
*
001      95    97    171    250     488
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02123    34.90836  -168.78499
    3     1 S   H    _H1_     3     1.02067    97.11064   -56.11259
    4     1 S   H    _H2_     4     1.02051    82.35328    51.90593
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C18    36     1.84386   100.85195   159.95405
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C19    37     1.53323   107.97232    60.03876
   38    37 S   HC   _H15    38     1.09456   112.70352   -61.91502
   39    37 S   HC   _H16    39     1.09775   109.84055    56.13563
   40    37 S   HC   _H17    40     1.09622   112.04333   174.05578
   41    33 S   OH   _O37    41     1.43201   110.87159   173.96610
   42    41 S   HO   _H18    42     0.97105   106.84676   -56.08010
   43    33 S   OS   _O36    43     1.44196   113.32316   -56.71496
   44    43 S   CA   _C13    44     1.36159   122.06065   -91.91049
   45    44 S   CA   _C12    45     1.38999   119.33912    29.98339
   46    45 S   HA   _H9_    46     1.08663   120.42333    -0.11014
   47    45 S   CA   _C11    47     1.39878   120.08583   179.60584
   48    47 S   HA   _H8_    48     1.08783   117.49947  -179.52153
   49    47 S   CA   _C10    49     1.40482   121.14951     0.38052
   50    49 S   CA   _C9_    50     1.39830   117.74165     0.42058
   51    44 S   CA   _C14    51     1.39080   120.99086  -150.06784
   52    50 S   OS   _O33    62     1.36591   122.82861  -178.90998
   53    51 S   CT   _C15    52     1.49586   119.62413    -0.14804
   54    53 S   HC   _H10    53     1.09653   111.19998  -135.25914
   55    53 S   HC   _H11    54     1.09681   110.90313   -15.51103
   56    52 S   CT   _C8_    63     1.44611   117.22664   -23.58897
   57    53 S   OS   _O34    55     1.42041   109.20360   104.56342
   58    56 S   CM   _C7_    64     1.53125   113.36155    33.38097
   59    56 S   CT   _C20    88     1.54005   103.36527   155.97297
   60    59 S   HC   _H19    89     1.08488   109.24263    57.12467
   61    59 S   HC   _H20    90     1.08485   109.21602   -62.89555
   62    59 S   HC   _H21    91     1.08457   109.22489   177.15614
   63    56 S   CT   _C21    92     1.53902   106.87887   -89.46826
   64    63 S   HC   _H22    93     1.08556   109.32004   -55.81171
   65    63 S   HC   _H23    94     1.08519   109.34964  -175.77441
   66    63 S   HC   _H24    95     1.08517   109.31494    64.14646
   67    57 S   CO4  _C16    56     1.36845   115.85965  -179.96574
   68    67 S   O    _O35    57     1.22414   125.97739     0.01978
   69    58 S   CA   _C22    65     1.47864   117.49722   159.30385
   70    49 S   CM   _C6_    80     1.47935   122.89246  -178.06832
   71    67 S   CT   _C17    58     1.49801   109.95699   180.00000
   72    71 S   HC   _H12    59     1.09232   109.83977   -89.94331
   73    71 S   HC   _H13    60     1.09295   109.88665   148.06494
   74    71 S   HC   _H14    61     1.09456   109.37277    29.07106
   75    69 S   CA   _C23    66     1.39507   120.00120    88.33092
   76    75 S   HA   _H25    67     1.08713   120.85266    -0.02798
   77    70 S   CT   _C5_    81     1.50842   117.81602     9.67130
   78    77 S   HC   _H6_    82     1.08930   107.75513    32.42096
   79    77 S   HC   _H7_    83     1.08908   107.40740   149.88432
   80    75 S   CA   _C24    68     1.39477   119.95328   180.00000
   81    80 S   HA   _H26    69     1.08725   119.60059   180.00000
   82    77 S   CT   _C4_    84     1.50984   109.96903   -88.99896
   83    82 S   HC   _H3_    85     1.09428   109.91768   -60.68744
   84    82 S   HC   _H4_    86     1.09589   111.23591   179.36913
   85    82 S   HC   _H5_    87     1.09445   111.37974    59.34135
   86    80 S   CA   _C25    70     1.39444   120.04339    -0.00000
   87    86 S   CA   _C26    71     1.39507   120.00332     0.02798
   88    87 S   HA   _H27    72     1.08618   120.31478   180.00000
   89    86 S   OS   _O38    75     1.36138   119.97893   179.98022
   90    69 S   CA   _C27    73     1.39511   119.97739   -91.74797
   91    90 S   HA   _H28    74     1.08718   120.89672     0.10468
   92    89 S   CT   _C28    76     1.42685   117.10196     0.02798
   93    92 S   HC   _H29    77     1.09264   109.49031   179.96044
   94    92 S   HC   _H30    78     1.09320   109.51151    59.19322
   95    92 S   HC   _H31    79     1.09260   108.97252   -60.39891
  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   9   5   4   3
  10   2   1   1   7   4   3   2   3   1   7  12   8   4   8   3
  12  12   8  13   6   3   2  14   6  20   9   3   2   1   5   2
   1   1   5   4  11   9   3   2   1   1   8   4   6   5   4   7
   3   3   2   1   1   9   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    51    53  
   45    46    47    48    49    50    51    53    54    55    57    52  
   46    47    48    49    50    51    53    70  
   47    48    49    51  
   48    49    50    51    52    58    70    77  
   49    50    70  
   50    51    53    52    56    58    69    70    77    78    79    82  
   51    53    54    55    57    52    56    58    70    77    59    63  
   53    54    55    57    67    52    56    70  
   56    58    69    70    59    60    61    62    63    64    65    66    53  
   54    55    57    67    68    71  
   55    57    67  
   57    67  
   58    69    75    90    70    77    59    60    61    62    63    64    65    66  
   67    68    71    72    73    74  
   69    75    76    80    87    90    91    70    77    78    79    82    59    60    61    62    63    64    65    66  
   60    61    62    63    64    65    66    69    70  
   61    62    63  
   62    63  
   63  
   64    65    66    69    70  
   65    66  
   66  
    0  
   68    71    72    73    74  
   71    72    73    74  
   75    76    80    81    86    87    88    90    91    70    77  
   77    78    79    82    83    84    85    75    90  
   72    73    74  
   73    74  
   74  
    0  
   76    80    81    86    87    90    91    89  
   80    81    86    90  
   78    79    82    83    84    85  
   79    82    83    84    85  
   82    83    84    85  
   81    86    87    88    90    89    92  
   86    87    89  
   83    84    85  
   84    85  
   85  
    0  
   87    88    90    91    89    92    93    94    95  
   88    90    91    89    92  
   90    91    89  
   92    93    94    95    90  
   91  
    0  
   93    94    95  
   94    95  
   95  
    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   3.5000   0.0660   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.000000   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  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    51   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    70   320.000  1.460
   50    51   469.000  1.400
   50    52   450.000  1.364
   51    53   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   320.000  1.410
   57    67   214.000  1.327
   67    68   570.000  1.229
   67    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   52    56   320.000  1.410
   56    58   317.000  1.510
   56    59   268.000  1.529
   56    63   268.000  1.529
   58    69   320.000  1.460
   58    70   549.000  1.340
   69    75   469.000  1.400
   69    90   469.000  1.400
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   469.000  1.400
   86    89   450.000  1.364
   87    88   367.000  1.080
   87    90   469.000  1.400
   90    91   367.000  1.080
   89    92   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   70    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    51    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    51    50    63.00000  120.00000
   44    51    53    70.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    70    60.00000  120.93500
   49    47    48    35.00000  120.00000
   49    50    51    63.00000  120.00000
   49    50    52    70.00000  120.00000
   49    70    58    60.00000  123.20500
   49    70    77    65.00000  118.87000
   50    51    53    70.00000  120.00000
   50    52    56    75.00000  111.00000
   51    44    45    63.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    57    85.00000  111.85700
   53    57    67    83.00000  116.90000
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    67    68    83.00000  123.40000
   57    67    71    81.00000  111.40000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   71    67    68    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   52    50    51    70.00000  120.00000
   52    56    58    85.00000  110.90400
   52    56    59    50.00000  109.50000
   52    56    63    50.00000  109.50000
   56    58    69    60.00000  124.00000
   56    58    70    70.00000  124.00000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   58    69    75    60.00000  118.70000
   58    69    90    60.00000  118.70000
   58    70    77    70.00000  124.00000
   69    75    76    35.00000  120.00000
   69    75    80    63.00000  120.00000
   69    90    87    63.00000  120.00000
   69    90    91    35.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    86    63.00000  120.00000
   80    75    76    35.00000  120.00000
   80    86    87    63.00000  120.00000
   80    86    89    70.00000  120.00000
   86    80    81    35.00000  120.00000
   86    87    88    35.00000  120.00000
   86    87    90    63.00000  120.00000
   86    89    92    75.00000  111.00000
   87    90    91    35.00000  120.00000
   90    69    75    63.00000  120.00000
   90    87    88    35.00000  120.00000
   89    86    87    70.00000  120.00000
   89    92    93    35.00000  109.50000
   89    92    94    35.00000  109.50000
   89    92    95    35.00000  109.50000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   70    49    50    60.00000  120.93500
   70    58    69    60.00000  123.66000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    82    70.00000  112.02700
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   79    77    78    33.00000  107.80000
   82    77    78    37.50000  110.70000
   82    77    79    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   59    56    58    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    58    70.00000  112.02700
   63    56    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    51   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    51    50   3.62500 -1.0 2.0
   43    44    51    53   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   44    51    53    54   0.00000  1.0 1.0
   44    51    53    55   0.00000  1.0 1.0
   44    51    53    57   0.64500  1.0 1.0
   44    51    53    57   0.14800 -1.0 2.0
   44    51    53    57   0.20650  1.0 3.0
   45    44    51    50   3.62500 -1.0 2.0
   45    44    51    53   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    70   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    52   3.62500 -1.0 2.0
   47    49    70    58   0.15800  1.0 1.0
   47    49    70    58   1.85350 -1.0 2.0
   47    49    70    58  -0.48700  1.0 3.0
   47    49    70    77  -0.02500  1.0 1.0
   47    49    70    77  -0.32150 -1.0 2.0
   47    49    70    77  -0.01500  1.0 3.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    70   3.62500 -1.0 2.0
   49    50   -51    44   3.62500 -1.0 2.0
   49    50    51    53   3.62500 -1.0 2.0
   49    50    52    56   1.63200 -1.0 2.0
   49    70    77    78   0.77000  1.0 3.0
   49    70    77    79   0.77000  1.0 3.0
   49    70    77    82  -0.01700  1.0 1.0
   49    70    77    82   0.06550 -1.0 2.0
   49    70    77    82  -0.91500  1.0 3.0
   50    49    70    58   0.15800  1.0 1.0
   50    49    70    58   1.85350 -1.0 2.0
   50    49    70    58  -0.48700  1.0 3.0
   50    49    70    77  -0.02500  1.0 1.0
   50    49    70    77  -0.32150 -1.0 2.0
   50    49    70    77  -0.01500  1.0 3.0
   50    51    53    54   0.00000  1.0 1.0
   50    51    53    55   0.00000  1.0 1.0
   50    51    53    57   0.64500  1.0 1.0
   50    51    53    57   0.14800 -1.0 2.0
   50    51    53    57   0.20650  1.0 3.0
   50    52   -56    58  -0.25600  1.0 1.0
   50    52   -56    58  -0.40050 -1.0 2.0
   50    52   -56    58   0.34700  1.0 3.0
   50    52    56    59  -0.32850  1.0 1.0
   50    52    56    59  -0.35800 -1.0 2.0
   50    52    56    59   0.33950  1.0 3.0
   50    52    56    63  -0.32850  1.0 1.0
   50    52    56    63  -0.35800 -1.0 2.0
   50    52    56    63   0.33950  1.0 3.0
   51    44    45    46   3.62500 -1.0 2.0
   51    44   -45    47   3.62500 -1.0 2.0
   51    50    52    56   1.63200 -1.0 2.0
   51    53    57    67  -0.43900 -1.0 2.0
   51    53    57    67   0.14100  1.0 3.0
   53    57    67    68   3.00000 -1.0 2.0
   53    57    67    71   1.63150  1.0 1.0
   53    57    67    71   2.92000 -1.0 2.0
   54    53    57    67   0.08050  1.0 3.0
   55    53    57    67   0.08050  1.0 3.0
   57    67    71    72   0.00000  1.0 1.0
   57    67    71    73   0.00000  1.0 1.0
   57    67    71    74   0.00000  1.0 1.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   52    50    51    44   3.62500 -1.0 2.0
   52    50    51    53   3.62500 -1.0 2.0
   52    56    58    69   0.09700  1.0 1.0
   52    56    58    69   0.15600 -1.0 2.0
   52    56    58    69  -0.50800  1.0 3.0
   52    56    58    70   0.39000  1.0 1.0
   52    56    58    70  -0.05800 -1.0 2.0
   52    56    58    70  -0.55150  1.0 3.0
   52    56    59    60   0.23400  1.0 3.0
   52    56    59    61   0.23400  1.0 3.0
   52    56    59    62   0.23400  1.0 3.0
   52    56    63    64   0.23400  1.0 3.0
   52    56    63    65   0.23400  1.0 3.0
   52    56    63    66   0.23400  1.0 3.0
   56    58    69    75  -0.02500  1.0 1.0
   56    58    69    75  -0.32150 -1.0 2.0
   56    58    69    75  -0.01500  1.0 3.0
   56    58    69    90  -0.02500  1.0 1.0
   56    58    69    90  -0.32150 -1.0 2.0
   56    58    69    90  -0.01500  1.0 3.0
   56    58   -70    49   7.00000 -1.0 2.0
   56    58    70    77   7.00000 -1.0 2.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    66   0.15000  1.0 3.0
   58    69    75    76   3.62500 -1.0 2.0
   58    69    75    80   3.62500 -1.0 2.0
   58    69    90    87   3.62500 -1.0 2.0
   58    69    90    91   3.62500 -1.0 2.0
   58    70    77    78   0.00000  1.0 1.0
   58    70    77    79   0.00000  1.0 1.0
   58    70    77    82   0.09850  1.0 1.0
   58    70    77    82   0.15250 -1.0 2.0
   58    70    77    82  -0.50650  1.0 3.0
   69    58    70    49   7.00000 -1.0 2.0
   69    58    70    77   7.00000 -1.0 2.0
   69    75    80    81   3.62500 -1.0 2.0
   69    75    80    86   3.62500 -1.0 2.0
   75    69    90    87   3.62500 -1.0 2.0
   75    69    90    91   3.62500 -1.0 2.0
   75    80   -86    87   3.62500 -1.0 2.0
   75    80    86    89   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   76    75    80    86   3.62500 -1.0 2.0
   80    86    87    88   3.62500 -1.0 2.0
   80    86    87    90   3.62500 -1.0 2.0
   80    86    89    92   1.63200 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   81    80    86    89   3.62500 -1.0 2.0
   86    87   -90    69   3.62500 -1.0 2.0
   86    87    90    91   3.62500 -1.0 2.0
   86    89    92    93   0.08050  1.0 3.0
   86    89    92    94   0.08050  1.0 3.0
   86    89    92    95   0.08050  1.0 3.0
   87    86    89    92   1.63200 -1.0 2.0
   88    87    90    69   3.62500 -1.0 2.0
   88    87    90    91   3.62500 -1.0 2.0
   90    69    75    76   3.62500 -1.0 2.0
   90    69   -75    80   3.62500 -1.0 2.0
   89    86    87    88   3.62500 -1.0 2.0
   89    86    87    90   3.62500 -1.0 2.0
   70    49    50    51   3.62500 -1.0 2.0
   70    49   -50    52   3.62500 -1.0 2.0
   70    58    69    75   0.15800  1.0 1.0
   70    58    69    75   1.85350 -1.0 2.0
   70    58    69    75  -0.48700  1.0 3.0
   70    58    69    90   0.15800  1.0 1.0
   70    58    69    90   1.85350 -1.0 2.0
   70    58    69    90  -0.48700  1.0 3.0
   70    77    82    83   0.15000  1.0 3.0
   70    77    82    84   0.15000  1.0 3.0
   70    77    82    85   0.15000  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    77    82    84   0.15000  1.0 3.0
   79    77    82    85   0.15000  1.0 3.0
   59    56    58    69  -0.01700  1.0 1.0
   59    56    58    69   0.06550 -1.0 2.0
   59    56    58    69  -0.91500  1.0 3.0
   59    56    58    70   0.09850  1.0 1.0
   59    56    58    70   0.15250 -1.0 2.0
   59    56    58    70  -0.50650  1.0 3.0
   59    56    63    64   0.15000  1.0 3.0
   59    56    63    65   0.15000  1.0 3.0
   59    56    63    66   0.15000  1.0 3.0
   63    56    58    69  -0.01700  1.0 1.0
   63    56    58    69   0.06550 -1.0 2.0
   63    56    58    69  -0.91500  1.0 3.0
   63    56    58    70   0.09850  1.0 1.0
   63    56    58    70   0.15250 -1.0 2.0
   63    56    58    70  -0.50650  1.0 3.0
   63    56    59    60   0.15000  1.0 3.0
   63    56    59    61   0.15000  1.0 3.0
   63    56    59    62   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
   35    30    34    36  10.50000 -1.0 2.0
   45    51    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    70    49    47   4.00000 -1.0 2.0
   51    52    50    49   4.00000 -1.0 2.0
   50    53    51    44   4.00000 -1.0 2.0
   57    71    67    68  10.50000 -1.0 2.0
   56    69    58    70   1.10000 -1.0 2.0
   75    90    69    58   4.00000 -1.0 2.0
   80    76    75    69   1.10000 -1.0 2.0
   86    81    80    75   1.10000 -1.0 2.0
   87    89    86    80   4.00000 -1.0 2.0
   90    88    87    86   1.10000 -1.0 2.0
   87    91    90    69   1.10000 -1.0 2.0
   49    77    70    58   1.10000 -1.0 2.0
END
