* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    142    208     418
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059   106.24257    -6.05958
    3     1 S   H    _H1_     3     1.02086    51.18254    95.14487
    4     1 S   H    _H2_     4     1.02136    61.09476  -108.77983
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   CT   _C6_    36     1.85750   100.57919   159.96476
   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   _C5_    37     1.55205   110.72938    60.04636
   38    37 S   HC   _H3_    38     1.09645   109.09790   -61.07051
   39    33 S   OH   _O33    45     1.42855   110.71198   -59.10921
   40    39 S   HO   _H9_    46     0.97095   106.71556  -178.95714
   41    33 S   S    _S1_    47     1.86294   107.22882  -179.82417
   42    37 S   CT   _C4_    39     1.53162   114.44690    57.45165
   43    42 S   HC   _H6_    40     1.09634   109.86047    59.71115
   44    42 S   HC   _H7_    41     1.09468   111.89355   -57.57695
   45    42 S   HC   _H8_    42     1.09356   111.86513   179.62258
   46    37 S   OH   _O40    43     1.42731   110.91090  -179.27046
   47    46 S   HO   _H23    44     0.96954   106.39829   173.41977
   48    41 S   CT   _C7_    48     1.81222   100.99079    79.44974
   49    48 S   HC   _H10    49     1.09445   107.40521    57.32169
   50    48 S   HC   _H11    50     1.09487   107.39808   -58.15309
   51    48 S   CT1  _C8_    51     1.53101   113.72064   180.00000
   52    51 S   HC   _H4_    52     1.09723   108.73658   178.70321
   53    51 S   C    _C9_    53     1.52758   113.46698    59.06538
   54    53 S   O    _O34    54     1.22970   123.01689  -119.67047
   55    51 S   N    _N5_    63     1.44141   112.08156   -64.86741
   56    55 S   H    _H15    64     1.01772   117.71161    91.87447
   57    53 S   N    _N4_    55     1.38720   112.22841    61.42613
   58    57 S   H    _H12    56     1.01661   119.50151    -3.96205
   59    55 S   C    _C12    65     1.38977   123.40243   -88.28348
   60    59 S   O    _O37    66     1.22750   125.17887    -0.01978
   61    57 S   CT   _C10    57     1.44353   122.66959   178.89359
   62    61 S   HC   _H13    58     1.09473   110.38335   -59.81463
   63    61 S   HC   _H14    59     1.09453   110.47411    59.86236
   64    59 S   CT   _C13    67     1.52050   111.62228   179.74821
   65    64 S   HC   _H16    68     1.09569   107.97663   177.95694
   66    64 S   HC   _H17    69     1.09647   107.54224    61.66703
   67    61 S   CO3  _C11    60     1.52011   106.00040   180.00000
   68    67 S   O2Z  _O36    61     1.26427   115.12608    59.78393
   69    67 S   O2Z  _O35    62     1.26330   115.16147  -120.78791
   70    64 S   CT   _C14    70     1.53168   112.27157   -60.00762
   71    70 S   HC   _H18    71     1.09886   108.84098   179.96574
   72    70 S   HC   _H19    72     1.09815   109.23109    65.27211
   73    70 S   CT   _C15    73     1.53338   114.45323   -57.59343
   74    73 S   HC   _H5_    74     1.09732   108.07159    59.46327
   75    73 S   CO3  _C16    75     1.53863   115.61489   177.74016
   76    75 S   O2Z  _O39    76     1.26399   115.13560   149.11815
   77    75 S   O2Z  _O38    77     1.26349   115.86463   -29.56289
   78    73 S   NP   _N6_    78     1.49620   107.53362   -53.26239
   79    78 S   H    _H20    79     1.02124   110.29651  -153.49273
   80    78 S   H    _H21    80     1.02147   110.26125    86.47922
   81    78 S   H    _H22    81     1.02109   110.24064   -33.50167
  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
  15   2   1   1  11   8   5   1   9   5   3   2   1   1   1  10
   5   4  11   6  10   4   8   3   7   4   8   4   5   4   3   9
   5   4   2   1   1  11   5   4   8   7   6   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    39    40    41    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    39    40    41    48    49    50    51  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    39    40    41    48  
   42    43    44    45    46    47    39    41  
   40    41    48    42    46  
   41  
   48    49    50    51    52    53    55    42    46  
   43    44    45    46    47  
   44    45    46  
   45    46  
   46  
   47  
    0  
   49    50    51    52    53    54    57    55    56    59  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    61    55    56    59    60    64  
   53    54    57    55    56    59  
   54    57    58    61    62    63    67    55    56    59  
   57    58    61    55  
   56    59    60    64    65    66    70    57  
   59    60    64  
   58    61    62    63    67    68    69  
   61    62    63    67  
   60    64    65    66    70    71    72    73  
   64    65    66    70  
   62    63    67    68    69  
   63    67    68    69  
   67    68    69  
   65    66    70    71    72    73    74    75    78  
   66    70    71    72    73  
   70    71    72    73  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    75    78  
   73    74    75    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.600000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   76   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   77   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   78   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   81   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    39   320.000  1.410
   33    41   222.000  1.810
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    46   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
   39    40   553.000  0.945
   41    48   222.000  1.810
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   337.000  1.449
   53    54   570.000  1.229
   53    57   490.000  1.335
   57    58   434.000  1.010
   57    61   337.000  1.449
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   317.000  1.522
   67    68   656.000  1.250
   67    69   656.000  1.250
   55    56   434.000  1.010
   55    59   490.000  1.335
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.522
   73    78   367.000  1.471
   75    76   656.000  1.250
   75    77   656.000  1.250
   78    79   434.000  1.010
   78    80   434.000  1.010
   78    81   434.000  1.010
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    39    85.00000  114.68000
   29    33    41    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    46    50.00000  109.50000
   33    39    40    55.00000  108.50000
   33    41    48    62.00000   98.90000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    45    37.50000  110.70000
   37    46    47    55.00000  108.50000
   42    37    38    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    42    50.00000  109.50000
   39    33    37    50.00000  109.50000
   41    33    37    75.00000  111.63000
   41    33    39    85.00000  114.68000
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    51    75.00000  108.68000
   48    51    52    37.50000  110.70000
   48    51    53    63.00000  111.10000
   48    51    55    80.00000  109.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    80.00000  120.40000
   51    53    57    70.00000  116.60000
   51    55    56    38.00000  118.40000
   51    55    59    50.00000  121.90000
   53    51    52    35.00000  109.50000
   53    57    58    35.00000  119.80000
   53    57    61    50.00000  121.90000
   57    53    54    80.00000  122.90000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    67    63.00000  110.10000
   61    57    58    38.00000  118.40000
   61    67    68    70.00000  117.00000
   61    67    69    70.00000  117.00000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   69    67    68    80.00000  126.00000
   55    51    52    35.00000  109.50000
   55    51    53    63.00000  110.10000
   55    59    60    80.00000  122.90000
   55    59    64    70.00000  116.60000
   59    55    56    35.00000  119.80000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    70    63.00000  111.10000
   64    59    60    80.00000  120.40000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    73    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    70.00000  109.69300
   70    73    78    80.00000  111.20000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    70.00000  117.00000
   73    75    77    70.00000  117.00000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   75    73    74    35.00000  109.50000
   77    75    76    80.00000  126.00000
   78    73    74    35.00000  109.50000
   78    73    75    80.00000  109.26000
   80    78    79    35.00000  109.50000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   24    29    33    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   29    33    41    48   0.08500  1.0 1.0
   29    33    41    48  -0.53150 -1.0 2.0
   29    33    41    48   0.48050  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37    42    45   0.15000  1.0 3.0
   33    37    46    47  -0.11600  1.0 1.0
   33    37    46    47  -0.09450 -1.0 2.0
   33    37    46    47   0.21250  1.0 3.0
   33    41    48    49   0.32350  1.0 3.0
   33    41    48    50   0.32350  1.0 3.0
   33    41    48    51   0.01700  1.0 1.0
   33    41    48    51  -0.23550 -1.0 2.0
   33    41    48    51   0.21350  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    33    41    48   0.01700  1.0 1.0
   37    33    41    48  -0.23550 -1.0 2.0
   37    33    41    48   0.21350  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    45   0.15000  1.0 3.0
   38    37    46    47   0.19450  1.0 3.0
   42    37    46    47  -0.11600  1.0 1.0
   42    37    46    47  -0.09450 -1.0 2.0
   42    37    46    47   0.21250  1.0 3.0
   46    37    42    43   0.23400  1.0 3.0
   46    37    42    44   0.23400  1.0 3.0
   46    37    42    45   0.23400  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    42   0.86500  1.0 1.0
   39    33    37    42  -0.17500 -1.0 2.0
   39    33    37    42   0.20800  1.0 3.0
   39    33    37    46   3.75450  1.0 1.0
   39    33    41    48   0.13850  1.0 1.0
   39    33    41    48  -1.34450 -1.0 2.0
   39    33    41    48   0.57400  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    42   0.44750  1.0 1.0
   41    33    37    42  -0.17800 -1.0 2.0
   41    33    37    42   0.20200  1.0 3.0
   41    33    37    46   0.56750  1.0 1.0
   41    33    37    46  -0.07550 -1.0 2.0
   41    33    37    46   0.20000  1.0 3.0
   41    33    39    40   0.35600  1.0 1.0
   41    33    39    40  -0.10750 -1.0 2.0
   41    33    39    40  -0.54400  1.0 3.0
   41    48    51    52   0.15000  1.0 3.0
   41    48    51    53  -2.17200  1.0 1.0
   41    48    51    53  -0.85700 -1.0 2.0
   41    48    51    55   0.71400  1.0 1.0
   41    48    51    55   0.04300 -1.0 2.0
   41    48    51    55   0.01450  1.0 3.0
   48    51    53    54   0.00000  1.0 1.0
   48    51    53    57   0.93250  1.0 1.0
   48    51    53    57   0.04450 -1.0 2.0
   48    51    53    57   0.17550  1.0 3.0
   48    51    55    56   0.00000  1.0 1.0
   48    51    55    59   0.25950  1.0 1.0
   48    51    55    59   0.43850 -1.0 2.0
   48    51    55    59   2.61650  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53  -0.03800  1.0 3.0
   49    48    51    55   0.23200  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53  -0.03800  1.0 3.0
   50    48    51    55   0.23200  1.0 3.0
   51    53    57    58   2.45000 -1.0 2.0
   51    53    57    61   1.15000  1.0 1.0
   51    53    57    61   3.04450 -1.0 2.0
   51    55    59    60   3.04450 -1.0 2.0
   51    55    59    64   1.15000  1.0 1.0
   51    55    59    64   3.04450 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    57   0.00000  1.0 1.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    59  -0.29800  1.0 1.0
   53    51    55    59   0.13950 -1.0 2.0
   53    51    55    59  -2.45650  1.0 3.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    63   0.00000  1.0 1.0
   53    57    61    67  -0.29800  1.0 1.0
   53    57    61    67   0.13950 -1.0 2.0
   53    57    61    67  -2.45650  1.0 3.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    61   3.04450 -1.0 2.0
   57    61    67    68   0.00000  1.0 1.0
   57    61    67    69   0.00000  1.0 1.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    67   0.00000  1.0 1.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    69   0.00000  1.0 1.0
   63    61    67    68   0.00000  1.0 1.0
   63    61    67    69   0.00000  1.0 1.0
   55    51    53    54   0.00000  1.0 1.0
   55    51    53    57   0.37150  1.0 1.0
   55    51    53    57   1.25400 -1.0 2.0
   55    51    53    57  -0.40250  1.0 3.0
   55    59    64    65   0.00000  1.0 1.0
   55    59    64    66   0.00000  1.0 1.0
   55    59    64    70   1.39750  1.0 1.0
   55    59    64    70  -0.07950 -1.0 2.0
   55    59    64    70  -0.18750  1.0 3.0
   56    55    59    60   2.45000 -1.0 2.0
   56    55    59    64   2.45000 -1.0 2.0
   59    64    70    71  -0.11250  1.0 3.0
   59    64    70    72  -0.11250  1.0 3.0
   59    64    70    73  -0.95700  1.0 1.0
   59    64    70    73  -0.18200 -1.0 2.0
   59    64    70    73   0.29450  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    70   0.30150 -1.0 2.0
   64    70    73    74   0.15000  1.0 3.0
   64    70    73    75  -1.63150  1.0 1.0
   64    70    73    75  -0.43550 -1.0 2.0
   64    70    73    75   0.24500  1.0 3.0
   64    70    73    78   1.36600  1.0 1.0
   64    70    73    78  -0.11450 -1.0 2.0
   64    70    73    78   0.24250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    73   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    73   0.15000  1.0 3.0
   70    73    75    76   0.41150 -1.0 2.0
   70    73    75    77   0.41150 -1.0 2.0
   70    73    78    79   0.17350  1.0 3.0
   70    73    78    80   0.17350  1.0 3.0
   70    73    78    81   0.17350  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    78   0.19200  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75  -0.11250  1.0 3.0
   72    70    73    78   0.19200  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    78    79   0.13050  1.0 3.0
   74    73    78    80   0.13050  1.0 3.0
   74    73    78    81   0.13050  1.0 3.0
   75    73    78    79   0.17350  1.0 3.0
   75    73    78    80   0.17350  1.0 3.0
   75    73    78    81   0.17350  1.0 3.0
   78    73    75    76   0.30150 -1.0 2.0
   78    73    75    77   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   51    57    53    54  10.50000 -1.0 2.0
   58    53    57    61   1.00000 -1.0 2.0
   68    61    67    69  10.50000 -1.0 2.0
   56    59    55    51   1.00000 -1.0 2.0
   55    64    59    60  10.50000 -1.0 2.0
   76    73    75    77  10.50000 -1.0 2.0
END
