* LIGAND DATABASE FILE (OPLS2005)
*
001      95    98    166    253     476
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02046   103.48107   -38.55989
    3     1 S   H    _H1_     3     1.02090    71.03459    66.92023
    4     1 S   H    _H2_     4     1.02095    42.37378  -141.59930
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08575   109.89770   179.09713
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.83000    97.90398   161.83205
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CO4  _C19    37     1.53120   106.71289   -79.97417
   38    37 S   O    _O35    38     1.22830   122.59858    80.96491
   39    33 S   CM   _C17    85     1.51669   109.99692   155.36491
   40    33 S   OS   _O36    91     1.42512   110.75774    34.08969
   41    37 S   CA   _C14    39     1.47778   117.68154   -97.44519
   42    39 S   NE   _N6_    86     1.37470   115.08804   -76.62756
   43    42 S   H    _H12    87     0.99219   118.10848  -179.66898
   44    42 S   H    _H13    88     0.99163   118.12955     0.40782
   45    40 S   CT   _C20    92     1.42079   111.39744  -174.97250
   46    45 S   HC   _H9_    93     1.09276   109.49434  -179.95577
   47    45 S   HC   _H10    94     1.09271   109.50988    59.23229
   48    45 S   HC   _H11    95     1.09267   108.93403   -60.39831
   49    41 S   CA   _C13    40     1.39372   120.74762   163.68645
   50    49 S   HA   _H7_    41     1.08614   121.48629     0.65462
   51    49 S   CA   _C12    42     1.38884   119.28965  -178.64607
   52    51 S   HA   _H6_    43     1.08610   119.99639   179.73756
   53    51 S   CA   _C11    44     1.38586   118.88112     0.23070
   54    53 S   CA   _C8_    45     1.43635   124.78470   179.62727
   55    53 S   NAP  _N5_    81     1.34156   120.47081    -0.61453
   56    55 S   H    _H8_    82     1.02061   119.04753  -179.45249
   57    54 S   CA   _C7_    46     1.38584   122.29456   -90.00207
   58    41 S   CA   _C15    83     1.39792   119.07241   -15.94334
   59    57 S   CA   _C6_    47     1.39033   117.92771  -180.00000
   60    57 S   NE   _N7_    78     1.41073   120.87925     0.02798
   61    60 S   H    _H15    79     0.99964   119.18112   176.86306
   62    60 S   H    _H16    80     0.99964   119.18579     3.10242
   63    58 S   CM   _C16    84     1.46520   121.75955    -2.18928
   64    59 S   CA   _C21    48     1.45268   120.33909  -180.00000
   65    59 S   CA   _C5_    68     1.39084   119.70802    -0.05595
   66    63 S   OH   _O37    89     1.37729   114.50851  -170.04493
   67    66 S   HO   _H14    90     0.96343   109.95337   180.00000
   68    64 S   CA   _C22    49     1.39486   119.07809   -90.01977
   69    68 S   HA   _H17    50     1.08705   120.94122     0.05234
   70    65 S   CA   _C9_    69     1.38551   117.90581     0.06256
   71    65 S   CT   _C4_    74     1.49412   121.37603  -180.00000
   72    71 S   HC   _H3_    75     1.09622   110.24546    90.06977
   73    71 S   HC   _H4_    76     1.09678   111.13826  -149.46591
   74    71 S   HC   _H5_    77     1.09663   111.19637   -30.46727
   75    68 S   CA   _C23    51     1.39480   120.00069  -179.91844
   76    75 S   HA   _H18    52     1.08711   119.59401  -179.90935
   77    54 S   NB   _N4_    70     1.35261   113.67891    89.98026
   78    70 S   CO3  _C10    71     1.47662   119.98158  -179.96044
   79    78 S   O2Z  _O34    72     1.28637   118.54172   -90.03758
   80    78 S   O2Z  _O33    73     1.28493   118.65944    89.94174
   81    75 S   CA   _C24    53     1.39548   120.00549    -0.03426
   82    81 S   CA   _C25    54     1.39486   119.99382     0.03426
   83    81 S   OS   _O40    63     1.36255   119.37018  -179.91844
   84    64 S   CA   _C26    55     1.39548   120.92801    90.02810
   85    82 S   OS   _O39    58     1.36353   119.87916   179.91153
   86    83 S   CT   _C28    64     1.42567   117.04984    -0.08847
   87    86 S   HC   _H23    65     1.09284   109.55669   179.97202
   88    86 S   HC   _H24    66     1.09301   109.49553    59.23762
   89    86 S   HC   _H25    67     1.09199   109.04050   -60.36715
   90    84 S   OH   _O38    56     1.36491   120.62846     0.08847
   91    90 S   HO   _H19    57     0.96883   110.03312    -0.05595
   92    85 S   CT   _C27    59     1.42619   116.96736    90.03044
   93    92 S   HC   _H20    60     1.09288   109.46842   180.00000
   94    92 S   HC   _H21    61     1.09213   109.53225    59.16569
   95    92 S   HC   _H22    62     1.09236   108.94653   -60.46757
  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
  16   2   1   1  12   5  11   7  10   5   2   1   3   2   1   1
   8   4   8   3  10  13   6   2  11   3  18   5   1   1   2  13
  11   1   1   8   4   8   5   2   1   1   7   3   3   2   1   1
  10  10   6   4   5   3   2   1   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    63    39    42    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    49    58    63    39    42    43    44    66    40    45    46    47    48  
   35    36  
   36  
    0  
   38    41    49    50    51    55    58    63    39    42    40    45  
   41    49    58    39    40  
   42    43    44    66    67    40    45    41    55    58    63  
   45    46    47    48    41    42    63  
   49    50    51    52    53    55    56    58    63    66  
   43    44    66    58    63  
   44    63  
   63  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    63  
   51    52    53    58  
   52    53    54    57    77    55    56    58  
   53    54    55  
   54    57    59    70    77    60    55    56    58    63  
   57    59    64    65    70    77    78    60    61    62    55    56    58  
   56    58    63    66    57    77  
   58    63  
   59    64    68    84    65    70    77    71    60    61    62  
   63    66    67  
   64    68    69    75    82    84    90    65    70    77    78    71    72    73    74    60    61    62  
   61    62    64    65    77  
   62  
    0  
   66    67  
   68    69    75    76    81    82    84    90    91    85    65    70    71  
   70    77    78    79    80    71    72    73    74    68    84  
   67  
    0  
   69    75    76    81    82    84    90    83  
   75    76    81    84  
   77    78    79    80    71    72    73    74  
   72    73    74    77    78  
   73    74  
   74  
    0  
   76    81    82    84    85    83    86  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    84    90    85    92    83    86    87    88    89  
   84    90    91    85    92    93    94    95    83    86  
   86    87    88    89    84    85  
   90    91    85    92  
   92    93    94    95    90  
   87    88    89  
   88    89  
   89  
    0  
   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  -0.316400   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   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0700  -0.150700   2.5000   1.7750   0.001000000  -0.843144165
   42   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.315300   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   56   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.092000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.315300   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.292000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   78   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   317.000  1.522
   33    39   317.000  1.510
   33    40   320.000  1.410
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    49   469.000  1.400
   41    58   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   375.000  1.464
   53    55   485.000  1.342
   54    57   469.000  1.400
   54    77   483.000  1.339
   57    59   469.000  1.400
   57    60   481.000  1.340
   59    64   375.000  1.464
   59    65   469.000  1.400
   64    68   469.000  1.400
   64    84   469.000  1.400
   68    69   367.000  1.080
   68    75   469.000  1.400
   75    76   367.000  1.080
   75    81   469.000  1.400
   81    82   469.000  1.400
   81    83   450.000  1.364
   82    84   469.000  1.400
   82    85   450.000  1.364
   84    90   450.000  1.364
   90    91   553.000  0.945
   85    92   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   83    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   65    70   469.000  1.400
   65    71   317.000  1.510
   70    77   483.000  1.339
   70    78   400.000  1.490
   78    79   656.000  1.250
   78    80   656.000  1.250
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   434.000  1.010
   60    62   434.000  1.010
   55    56   475.000  1.020
   55    58   485.000  1.342
   58    63   320.000  1.460
   63    39   549.000  1.340
   63    66   510.000  1.338
   39    42   425.000  1.378
   42    43   434.000  1.010
   42    44   434.000  1.010
   66    67   553.000  0.945
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    40    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    39    63    70.00000  124.00000
   33    39    42    75.00000  116.24600
   33    40    45    60.00000  109.50000
   37    41    49    60.00000  119.52600
   37    41    58    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    49    50    35.00000  120.00000
   41    49    51    63.00000  120.00000
   41    58    55    70.00000  119.29800
   41    58    63    60.00000  120.93500
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    60.00000  122.76000
   51    53    55    70.00000  119.29800
   53    51    52    35.00000  120.00000
   53    54    57    60.00000  122.76000
   53    54    77    70.00000  116.69200
   53    55    56    45.00000  117.56800
   53    55    58    70.00000  123.81700
   54    57    59    63.00000  120.00000
   54    57    60    70.00000  120.10000
   54    77    70    70.00000  117.00000
   57    59    64    60.00000  122.76000
   57    59    65    63.00000  120.00000
   57    60    61    35.00000  113.50000
   57    60    62    35.00000  113.50000
   59    64    68    60.00000  122.76000
   59    64    84    60.00000  122.76000
   59    65    70    63.00000  120.00000
   59    65    71    70.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    75    63.00000  120.00000
   64    84    82    63.00000  120.00000
   64    84    90    70.00000  120.00000
   68    75    76    35.00000  120.00000
   68    75    81    63.00000  120.00000
   75    68    69    35.00000  120.00000
   75    81    82    63.00000  120.00000
   75    81    83    70.00000  120.00000
   81    75    76    35.00000  120.00000
   81    82    84    63.00000  120.00000
   81    82    85    70.00000  120.00000
   81    83    86    75.00000  111.00000
   82    84    90    70.00000  120.00000
   82    85    92    75.00000  111.00000
   84    64    68    63.00000  120.00000
   84    90    91    35.00000  113.00000
   85    82    84    70.00000  120.00000
   85    92    93    35.00000  109.50000
   85    92    94    35.00000  109.50000
   85    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
   83    81    82    70.00000  120.00000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   65    59    64    60.00000  122.76000
   65    70    77    70.00000  124.00000
   65    70    78    85.00000  120.00000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    35.00000  109.50000
   70    78    79    80.00000  120.40000
   70    78    80    80.00000  120.40000
   77    54    57    70.00000  124.00000
   78    70    77    75.00000  117.56100
   80    78    79    80.00000  126.00000
   71    65    70    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    57    59    70.00000  120.10000
   62    60    61    35.00000  109.00000
   55    53    54    70.00000  116.69200
   55    58    63    70.00000  118.40000
   58    41    49    63.00000  120.00000
   58    55    56    45.00000  117.56800
   58    63    39    60.00000  123.20500
   58    63    66    85.00000  114.86500
   63    39    42    70.00000  124.03900
   63    66    67    70.00000  107.45700
   39    33    37    70.00000  109.06800
   39    42    43    35.00000  114.50000
   39    42    44    35.00000  114.50000
   44    42    43    35.00000  109.00000
   66    63    39    80.00000  121.38400
   40    33    37    90.00000  108.74100
   40    33    39    85.00000  110.90400
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    39    63   0.42700  1.0 1.0
   29    33    39    63  -0.70350 -1.0 2.0
   29    33    39    63  -0.43150  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   29    33    40    45   0.14700  1.0 1.0
   29    33    40    45  -1.16150 -1.0 2.0
   29    33    40    45   0.48700  1.0 3.0
   33    37    41    49   2.26350  1.0 1.0
   33    37    41    49   0.76750 -1.0 2.0
   33    37    41    49   0.22500  1.0 3.0
   33    37    41    58   2.26350  1.0 1.0
   33    37    41    58   0.76750 -1.0 2.0
   33    37    41    58   0.22500  1.0 3.0
   33    39    42    43   2.40850 -1.0 2.0
   33    39    42    44   2.40850 -1.0 2.0
   33    40    45    46   0.37050  1.0 3.0
   33    40    45    47   0.37050  1.0 3.0
   33    40    45    48   0.37050  1.0 3.0
   37    33    39    63  -0.51250  1.0 1.0
   37    33    39    63  -0.88800 -1.0 2.0
   37    33    39    63   0.08850  1.0 3.0
   37    33    39    42   0.09700  1.0 1.0
   37    33    39    42   0.15600 -1.0 2.0
   37    33    39    42  -0.50800  1.0 3.0
   37    33    40    45  -1.11000  1.0 1.0
   37    33    40    45   0.50250 -1.0 2.0
   37    33    40    45   0.47450  1.0 3.0
   37    41    49    50   3.62500 -1.0 2.0
   37    41    49    51   3.62500 -1.0 2.0
   37    41    58    55   3.62500 -1.0 2.0
   37    41   -58    63   3.62500 -1.0 2.0
   38    37    41    49   1.05000 -1.0 2.0
   38    37    41    58   1.05000 -1.0 2.0
   41    49    51    52   3.62500 -1.0 2.0
   41    49    51    53   3.62500 -1.0 2.0
   41    58    63    39   0.15800  1.0 1.0
   41    58    63    39   1.85350 -1.0 2.0
   41    58    63    39  -0.48700  1.0 3.0
   41    58    63    66  -0.01750  1.0 1.0
   41    58    63    66  -0.32000 -1.0 2.0
   41    58    63    66   0.00600  1.0 3.0
   49    41    58    55   3.62500 -1.0 2.0
   49    41    58    63   3.62500 -1.0 2.0
   49    51    53    54   3.62500 -1.0 2.0
   49    51   -53    55   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    57  -0.19450  1.0 1.0
   51    53    54    57   0.63300 -1.0 2.0
   51    53    54    57   0.07450  1.0 3.0
   51    53    54    77   0.04300  1.0 1.0
   51    53    54    77   0.58850 -1.0 2.0
   51    53    54    77   0.22750  1.0 3.0
   51    53    55    56   3.62500 -1.0 2.0
   51    53    55    58   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    54    57    59   3.62500 -1.0 2.0
   53    54    57    60   3.62500 -1.0 2.0
   53    54    77    70   3.62500 -1.0 2.0
   53    55   -58    41   3.62500 -1.0 2.0
   53    55    58    63   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   54    57    59    64   3.62500 -1.0 2.0
   54    57    59    65   3.62500 -1.0 2.0
   54    57    60    61   1.00000 -1.0 2.0
   54    57    60    62   1.00000 -1.0 2.0
   57    54    77    70   3.62500 -1.0 2.0
   57    59    64    68  -0.19450  1.0 1.0
   57    59    64    68   0.63300 -1.0 2.0
   57    59    64    68   0.07450  1.0 3.0
   57    59    64    84  -0.19450  1.0 1.0
   57    59    64    84   0.63300 -1.0 2.0
   57    59    64    84   0.07450  1.0 3.0
   57    59   -65    70   3.62500 -1.0 2.0
   57    59    65    71   3.62500 -1.0 2.0
   59    57    60    61   1.00000 -1.0 2.0
   59    57    60    62   1.00000 -1.0 2.0
   59    64    68    69   3.62500 -1.0 2.0
   59    64    68    75   3.62500 -1.0 2.0
   59    64    84    82   3.62500 -1.0 2.0
   59    64    84    90   3.62500 -1.0 2.0
   59    65    70    77   3.62500 -1.0 2.0
   59    65    70    78   3.62500 -1.0 2.0
   59    65    71    72   0.00000  1.0 1.0
   59    65    71    73   0.00000  1.0 1.0
   59    65    71    74   0.00000  1.0 1.0
   64    59    65    70   3.62500 -1.0 2.0
   64    59    65    71   3.62500 -1.0 2.0
   64    68    75    76   3.62500 -1.0 2.0
   64    68    75    81   3.62500 -1.0 2.0
   64    84    90    91   0.84100 -1.0 2.0
   68    64    84    82   3.62500 -1.0 2.0
   68    64    84    90   3.62500 -1.0 2.0
   68    75   -81    82   3.62500 -1.0 2.0
   68    75    81    83   3.62500 -1.0 2.0
   69    68    75    76   3.62500 -1.0 2.0
   69    68    75    81   3.62500 -1.0 2.0
   75    81    82    84   3.62500 -1.0 2.0
   75    81    82    85   3.62500 -1.0 2.0
   75    81    83    86   1.63200 -1.0 2.0
   76    75    81    82   3.62500 -1.0 2.0
   76    75    81    83   3.62500 -1.0 2.0
   81    82   -84    64   3.62500 -1.0 2.0
   81    82    84    90   3.62500 -1.0 2.0
   81    82    85    92   1.63200 -1.0 2.0
   81    83    86    87   0.08050  1.0 3.0
   81    83    86    88   0.08050  1.0 3.0
   81    83    86    89   0.08050  1.0 3.0
   82    81    83    86   1.63200 -1.0 2.0
   82    84    90    91   0.84100 -1.0 2.0
   82    85    92    93   0.08050  1.0 3.0
   82    85    92    94   0.08050  1.0 3.0
   82    85    92    95   0.08050  1.0 3.0
   84    64    68    69   3.62500 -1.0 2.0
   84    64   -68    75   3.62500 -1.0 2.0
   84    82    85    92   1.63200 -1.0 2.0
   85    82    84    64   3.62500 -1.0 2.0
   85    82    84    90   3.62500 -1.0 2.0
   83    81    82    84   3.62500 -1.0 2.0
   83    81    82    85   3.62500 -1.0 2.0
   65    59    64    68  -0.19450  1.0 1.0
   65    59    64    68   0.63300 -1.0 2.0
   65    59    64    68   0.07450  1.0 3.0
   65    59    64    84  -0.19450  1.0 1.0
   65    59    64    84   0.63300 -1.0 2.0
   65    59    64    84   0.07450  1.0 3.0
   65    70   -77    54   3.62500 -1.0 2.0
   65    70    78    79   1.05000 -1.0 2.0
   65    70    78    80   1.05000 -1.0 2.0
   70    65    71    72   0.00000  1.0 1.0
   70    65    71    73   0.00000  1.0 1.0
   70    65    71    74   0.00000  1.0 1.0
   77    54   -57    59   3.62500 -1.0 2.0
   77    54    57    60   3.62500 -1.0 2.0
   77    70    78    79   1.05000 -1.0 2.0
   77    70    78    80   1.05000 -1.0 2.0
   78    70    77    54   3.62500 -1.0 2.0
   71    65    70    77   3.62500 -1.0 2.0
   71    65    70    78   3.62500 -1.0 2.0
   60    57    59    64   3.62500 -1.0 2.0
   60    57    59    65   3.62500 -1.0 2.0
   55    53    54    57   0.04300  1.0 1.0
   55    53    54    57   0.58850 -1.0 2.0
   55    53    54    57   0.22750  1.0 3.0
   55    53    54    77   0.60800  1.0 1.0
   55    53    54    77   1.31550 -1.0 2.0
   55    53    54    77   1.01100  1.0 3.0
   55    58    63    39   0.11450  1.0 1.0
   55    58    63    39   1.85100 -1.0 2.0
   55    58    63    39  -0.49050  1.0 3.0
   55    58    63    66  -0.01750  1.0 1.0
   55    58    63    66  -0.32000 -1.0 2.0
   55    58    63    66   0.00600  1.0 3.0
   56    55    58    41   3.62500 -1.0 2.0
   56    55    58    63   3.62500 -1.0 2.0
   58    41    49    50   3.62500 -1.0 2.0
   58    41   -49    51   3.62500 -1.0 2.0
   58    63   -39    33   7.00000 -1.0 2.0
   58    63    39    42   7.00000 -1.0 2.0
   58    63    66    67   2.00000 -1.0 2.0
   63    39    42    43   1.00000 -1.0 2.0
   63    39    42    44   1.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    41   0.65300  1.0 1.0
   39    33   -37    41  -0.03850 -1.0 2.0
   39    33   -37    41   0.33900  1.0 3.0
   39    33    40    45  -0.77900  1.0 1.0
   39    33    40    45  -0.36900 -1.0 2.0
   39    33    40    45   0.40400  1.0 3.0
   39    63    66    67  -0.66100  1.0 1.0
   39    63    66    67   1.20850 -1.0 2.0
   39    63    66    67  -0.36000  1.0 3.0
   66    63    39    33   7.00000 -1.0 2.0
   66    63    39    42   7.00000 -1.0 2.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    41   0.65300  1.0 1.0
   40    33    37    41  -0.03850 -1.0 2.0
   40    33    37    41   0.33900  1.0 3.0
   40    33    39    63   0.39000  1.0 1.0
   40    33    39    63  -0.05800 -1.0 2.0
   40    33    39    63  -0.55150  1.0 3.0
   40    33    39    42   0.09700  1.0 1.0
   40    33    39    42   0.15600 -1.0 2.0
   40    33    39    42  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   49    58    41    37   4.00000 -1.0 2.0
   51    50    49    41   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    55    53    51   4.00000 -1.0 2.0
   57    77    54    53   4.00000 -1.0 2.0
   59    60    57    54   4.00000 -1.0 2.0
   64    65    59    57   4.00000 -1.0 2.0
   68    84    64    59   4.00000 -1.0 2.0
   75    69    68    64   1.10000 -1.0 2.0
   81    76    75    68   1.10000 -1.0 2.0
   82    83    81    75   4.00000 -1.0 2.0
   84    85    82    81   4.00000 -1.0 2.0
   82    90    84    64   4.00000 -1.0 2.0
   70    71    65    59   4.00000 -1.0 2.0
   78    77    70    65   4.00000 -1.0 2.0
   79    70    78    80  10.50000 -1.0 2.0
   62    57    60    61   1.00000 -1.0 2.0
   56    53    55    58   1.00000 -1.0 2.0
   55    63    58    41   4.00000 -1.0 2.0
   58    66    63    39   1.10000 -1.0 2.0
   33    42    39    63   1.10000 -1.0 2.0
   44    39    42    43   1.00000 -1.0 2.0
END
