* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    142    228     416
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02057    95.37445    30.83792
    3     1 S   H    _H1_     3     1.02171    33.97336   146.77453
    4     1 S   H    _H2_     4     1.02104    84.55680   -77.49380
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C5_    36     1.84355    97.46293   159.99372
   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   _C7_    37     1.51965   108.64397  -179.97202
   38    37 S   HC   _H3_    38     1.10208   109.03972  -177.55471
   39    33 S   CT   _C4_    69     1.53739   107.36736    60.44519
   40    39 S   HC   _H4_    70     1.09730   110.37402   -61.64608
   41    39 S   HC   _H5_    71     1.09644   111.57320    57.29230
   42    39 S   HC   _H6_    72     1.09593   112.33291   178.81419
   43    33 S   CT   _C6_    73     1.54363   108.88038   -57.71477
   44    43 S   HC   _H7_    74     1.09596   109.91040   -40.13322
   45    43 S   HC   _H8_    75     1.09693   111.97877    79.44768
   46    37 S   CT   _C8_    39     1.52442   112.77526    59.07915
   47    46 S   HC   _H10    40     1.09265   109.63321    85.70943
   48    46 S   HC   _H11    41     1.09690   110.49036   -35.46683
   49    37 S   OS   _O35    66     1.43033   109.58956   -59.24895
   50    43 S   OH   _O33    76     1.42259   111.21384  -158.98070
   51    50 S   HO   _H9_    77     0.96992   106.72715  -179.96574
   52    46 S   CA   _C9_    42     1.49975   102.34638  -152.15259
   53    52 S   CA   _C10    43     1.36853   135.30949  -165.44736
   54    53 S   CA   _C18    44     1.49955   114.79172  -174.71943
   55    53 S   NE   _N4_    57     1.28931   123.56795     3.89516
   56    54 S   CO4  _C17    45     1.48448   118.76493  -175.97377
   57    56 S   O    _O34    46     1.22290   124.21028   163.86524
   58    55 S   CT   _C22    58     1.49445   123.99314    13.38388
   59    58 S   HC   _H18    59     1.09132   108.17272   -91.13660
   60    58 S   HC   _H19    60     1.09187   108.22397   148.81248
   61    58 S   HC   _H20    61     1.09148   108.20173    28.84763
   62    54 S   CA   _C19    62     1.35576   122.42874     1.94752
   63    56 S   CA   _C16    47     1.46451   114.68383   -16.51550
   64    62 S   CA   _C20    63     1.44171   120.37332    -0.50085
   65    64 S   HA   _H16    64     1.08680   119.95615  -179.04550
   66    62 S   OH   _O36    67     1.37544   126.66637   179.38008
   67    66 S   HO   _H17    68     0.96381   110.12652     0.12667
   68    63 S   CA   _C15    48     1.40418   118.22767  -166.34545
   69    68 S   HA   _H15    49     1.08680   121.32885    -3.75019
   70    52 S   CA   _C21    65     1.45811   102.84461    20.78717
   71    68 S   CA   _C14    50     1.39030   120.13836   177.04190
   72    71 S   HA   _H14    51     1.08557   120.22407   178.30615
   73    71 S   CA   _C13    52     1.38769   119.50187    -0.79966
   74    73 S   HA   _H13    53     1.08655   119.98092  -179.34329
   75    73 S   CA   _C12    54     1.39967   120.22262     1.17470
   76    75 S   HA   _H12    55     1.08659   116.02100   179.26939
   77    63 S   CA   _C11    56     1.40016   120.28520    12.23548
  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  13   5   4   3
  17   2   1   1  17   8   9   3   2   1   6   3   2   9   5   4
   6   1   1  10  15  13  13  10   4   6   3   2   1   6   8   4
   2   2   1   7   4   1   6   3   4   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    49    39    40    41    42    43    44    45    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    52    70    49    39    40    41    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    46    47    48    52    53    64    70    49    39    40    41    42    43    44    45    50  
   46    47    48    52    70    49    39    43  
   40    41    42    43    44    45    50    46    49  
   41    42    43  
   42    43  
   43  
   44    45    50    51    46    49  
   45    50    51  
   50    51  
   47    48    52    53    54    55    64    70    49  
   48    52    53    70    49  
   52    53    70    49  
   52    53    62    64    65    70  
   51  
    0  
   53    54    56    77    55    58    62    64    65    70  
   54    56    57    63    75    77    55    58    59    60    61    62    64    70    66  
   56    57    63    68    77    55    58    62    64    65    70    66    67  
   58    59    60    61    62    70    56    63    68    73    75    76    77  
   57    63    68    69    71    75    77    62    64    66  
   63    68    77    62  
   59    60    61    63    75    77  
   60    61    77  
   61    77  
   77  
   64    65    70    66    67    63  
   68    69    71    72    73    75    76    77  
   65    70    66    67  
   70    66  
   67    70  
    0  
   69    71    72    73    74    75    77  
   71    72    73    77  
    0  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.167500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   268.000  1.529
   37    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    70   469.000  1.400
   53    54   469.000  1.400
   53    55   481.000  1.340
   54    56   310.000  1.470
   54    62   469.000  1.400
   56    57   570.000  1.229
   56    63   310.000  1.470
   63    68   469.000  1.400
   63    77   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    55   481.000  1.340
   55    58   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    64   469.000  1.400
   62    66   450.000  1.364
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    49   450.000  1.364
   66    67   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    51   553.000  0.945
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    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    37    49    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    50    50.00000  109.50000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    52    70.00000  112.17500
   37    49    70    75.00000  111.00000
   46    37    38    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    70    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.10000
   52    70    64    63.00000  120.00000
   52    70    49    70.00000  120.00000
   53    54    56    60.00000  119.52600
   53    54    62    63.00000  120.00000
   53    55    77    50.00000  129.00000
   53    55    58    50.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    63    65.00000  116.00000
   54    62    64    63.00000  120.00000
   54    62    66    70.00000  120.00000
   56    63    68    60.00000  119.52600
   56    63    77    60.00000  119.52600
   63    56    57    75.00000  123.78400
   63    68    69    35.00000  120.00000
   63    68    71    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    55    70.00000  120.10000
   68    71    72    35.00000  120.00000
   68    71    73    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    55    70.00000  120.10000
   77    63    68    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    55    58    50.00000  120.00000
   55    53    54    70.00000  120.10000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    56    60.00000  119.52600
   62    64    65    35.00000  120.00000
   62    64    70    63.00000  120.00000
   62    66    67    35.00000  113.00000
   64    70    49    70.00000  120.00000
   70    52    53    63.00000  120.00000
   70    64    65    35.00000  120.00000
   49    37    38    35.00000  109.50000
   49    37    46    50.00000  109.50000
   66    62    64    70.00000  120.00000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    50    51    55.00000  108.50000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  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    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    37    49   0.56750  1.0 1.0
   29    33    37    49  -0.07550 -1.0 2.0
   29    33    37    49   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    50   0.56750  1.0 1.0
   29    33    43    50  -0.07550 -1.0 2.0
   29    33    43    50   0.20000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    52  -0.03700  1.0 1.0
   33    37    46    52   0.37200 -1.0 2.0
   33    37    46    52  -0.47300  1.0 3.0
   33    37    49    70  -0.32850  1.0 1.0
   33    37    49    70  -0.35800 -1.0 2.0
   33    37    49    70   0.33950  1.0 3.0
   33    43    50    51  -0.11600  1.0 1.0
   33    43    50    51  -0.09450 -1.0 2.0
   33    43    50    51   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    50   0.86500  1.0 1.0
   37    33    43    50  -0.17500 -1.0 2.0
   37    33    43    50   0.20800  1.0 3.0
   37    46    52    53   0.04150 -1.0 2.0
   37    46   -52    70   0.04150 -1.0 2.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    52   0.43200  1.0 3.0
   38    37    49    70   0.08050  1.0 3.0
   46    37   -49    70  -0.32850  1.0 1.0
   46    37   -49    70  -0.35800 -1.0 2.0
   46    37   -49    70   0.33950  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52    53    55   3.62500 -1.0 2.0
   46    52    70    64   3.62500 -1.0 2.0
   46    52   -70    49   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    70   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    70   0.00000  1.0 1.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    62   3.62500 -1.0 2.0
   52    53    55    77   0.17750 -1.0 2.0
   52    53    55    58  -1.00000  1.0 1.0
   52    53    55    58   1.25000 -1.0 2.0
   52    70   -49    37   1.63200 -1.0 2.0
   53    52    70    64   3.62500 -1.0 2.0
   53    52    70    49   3.62500 -1.0 2.0
   53    54    56    57   1.05000 -1.0 2.0
   53    54    56    63   0.56600 -1.0 2.0
   53    54   -62    64   3.62500 -1.0 2.0
   53    54    62    66   3.62500 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    61   0.00000  1.0 1.0
   54    53    55    77   0.17750 -1.0 2.0
   54    53    55    58  -1.00000  1.0 1.0
   54    53    55    58   1.25000 -1.0 2.0
   54    56    63    68   0.56600 -1.0 2.0
   54    56   -63    77   0.56600 -1.0 2.0
   54    62    64    65   3.62500 -1.0 2.0
   54    62    64    70   3.62500 -1.0 2.0
   54    62    66    67   0.84100 -1.0 2.0
   56    54    62    64   3.62500 -1.0 2.0
   56    54    62    66   3.62500 -1.0 2.0
   56    63    68    69   3.62500 -1.0 2.0
   56    63    68    71   3.62500 -1.0 2.0
   56    63    77    75   3.62500 -1.0 2.0
   56    63    77    55   3.62500 -1.0 2.0
   57    56    63    68   1.05000 -1.0 2.0
   57    56    63    77   1.05000 -1.0 2.0
   63    68    71    72   3.62500 -1.0 2.0
   63    68    71    73   3.62500 -1.0 2.0
   63    77   -55    53   0.17750 -1.0 2.0
   63    77    55    58  -1.00000  1.0 1.0
   63    77    55    58   1.25000 -1.0 2.0
   68    63    77    75   3.62500 -1.0 2.0
   68    63    77    55   3.62500 -1.0 2.0
   68    71    73    74   3.62500 -1.0 2.0
   68    71   -73    75   3.62500 -1.0 2.0
   69    68    71    72   3.62500 -1.0 2.0
   69    68    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    63   3.62500 -1.0 2.0
   73    75    77    55   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    55    53   0.17750 -1.0 2.0
   75    77    55    58  -1.00000  1.0 1.0
   75    77    55    58   1.25000 -1.0 2.0
   76    75    77    63   3.62500 -1.0 2.0
   76    75    77    55   3.62500 -1.0 2.0
   77    63    68    69   3.62500 -1.0 2.0
   77    63   -68    71   3.62500 -1.0 2.0
   77    55    58    59   0.00000  1.0 1.0
   77    55    58    60   0.00000  1.0 1.0
   77    55    58    61   0.00000  1.0 1.0
   55    53   -54    56   3.62500 -1.0 2.0
   55    53    54    62   3.62500 -1.0 2.0
   62    54    56    57   1.05000 -1.0 2.0
   62    54    56    63   0.56600 -1.0 2.0
   62    64   -70    52   3.62500 -1.0 2.0
   62    64    70    49   3.62500 -1.0 2.0
   64    62    66    67   0.84100 -1.0 2.0
   64    70    49    37   1.63200 -1.0 2.0
   65    64    70    52   3.62500 -1.0 2.0
   65    64    70    49   3.62500 -1.0 2.0
   70    52   -53    54   3.62500 -1.0 2.0
   70    52    53    55   3.62500 -1.0 2.0
   49    37    46    47   0.23400  1.0 3.0
   49    37    46    48   0.23400  1.0 3.0
   49    37   -46    52  -0.64350  1.0 1.0
   49    37   -46    52  -0.04200 -1.0 2.0
   49    37   -46    52   0.19800  1.0 3.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    70   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46   0.56750  1.0 1.0
   39    33    37    46  -0.07550 -1.0 2.0
   39    33    37    46   0.20000  1.0 3.0
   39    33    37    49   0.62750  1.0 1.0
   39    33    37    49  -0.30950 -1.0 2.0
   39    33    37    49   0.27300  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    50   0.86500  1.0 1.0
   39    33    43    50  -0.17500 -1.0 2.0
   39    33    43    50   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46   0.56750  1.0 1.0
   43    33    37    46  -0.07550 -1.0 2.0
   43    33    37    46   0.20000  1.0 3.0
   43    33    37    49   0.62750  1.0 1.0
   43    33    37    49  -0.30950 -1.0 2.0
   43    33    37    49   0.27300  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   45    43    50    51   0.19450  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
   53    70    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    62    54    53   4.00000 -1.0 2.0
   54    63    56    57  10.50000 -1.0 2.0
   68    77    63    56   4.00000 -1.0 2.0
   71    69    68    63   1.10000 -1.0 2.0
   73    72    71    68   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    55    77    63   4.00000 -1.0 2.0
   58    53    55    77   1.00000 -1.0 2.0
   64    66    62    54   4.00000 -1.0 2.0
   70    65    64    62   1.10000 -1.0 2.0
   64    49    70    52   4.00000 -1.0 2.0
END
