* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    145    230     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02018    82.00716    52.36954
    3     1 S   H    _H1_     3     1.02108    35.07793  -167.82707
    4     1 S   H    _H2_     4     1.02099    97.32245   -55.61080
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   OS   _O36    36     1.65548    98.43720   -59.96271
   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   _C11    37     1.44171   113.19215  -159.97471
   38    37 S   CT   _C12    38     1.53890   108.10093    59.94718
   39    38 S   HC   _H4_    39     1.10888   109.43609  -166.75882
   40    37 S   CT   _C10    48     1.55442   107.78157  -175.46858
   41    38 S   CM   _C13    40     1.50487   119.18545    70.93408
   42    41 S   HC   _H17    41     1.08560   111.60048   174.97157
   43    40 S   CT   _C9_    49     1.54819   101.50543    78.67640
   44    43 S   HC   _H15    50     1.09599   111.27062   -76.94223
   45    43 S   HC   _H16    51     1.09439   112.66647   163.00994
   46    40 S   CT   _C18    67     1.54743   113.30728  -164.94117
   47    46 S   HC   _H23    68     1.08289   109.04288    67.96823
   48    46 S   HC   _H24    69     1.08318   108.99400   -52.09654
   49    46 S   HC   _H25    70     1.08412   108.95997  -172.03918
   50    38 S   OH   _O35    76     1.43329   108.34910   -52.85659
   51    50 S   HO   _H22    77     0.96670   105.78540  -169.68439
   52    41 S   CM   _C14    42     1.34160   130.60934    -0.94667
   53    43 S   CT   _C8_    52     1.51813   104.73921    41.48338
   54    53 S   HC   _H13    53     1.09375   109.96902    86.37954
   55    53 S   HC   _H14    54     1.09326   111.05271  -155.05378
   56    52 S   CT   _C15    43     1.49802   130.72786    -1.25039
   57    56 S   HC   _H5_    44     1.13397   104.71066   159.40227
   58    37 S   CT   _C7_    55     1.57262   104.84003   -63.52743
   59    58 S   HC   _H3_    56     1.10231   109.12903    14.81989
   60    52 S   CO4  _C17    73     1.47779   113.74033   179.87180
   61    60 S   O    _O34    74     1.21658   121.85395   180.00000
   62    60 S   HC   _H21    75     1.09500   114.39048    -0.07133
   63    56 S   CT   _C16    45     1.54054   122.25468    37.25447
   64    63 S   HC   _H18    46     1.11088   106.83117   100.31782
   65    63 S   HC   _H19    47     1.11009   108.38696  -150.62021
   66    58 S   CT   _C5_    57     1.52805   117.73955   136.21538
   67    66 S   HC   _H9_    58     1.09621   108.22751   -58.88005
   68    56 S   OH   _O33    71     1.43470   107.61949   -90.30798
   69    68 S   HO   _H20    72     0.96551   105.75963  -180.00000
   70    66 S   CT   _C4_    59     1.52702   110.49800    59.68974
   71    70 S   HC   _H6_    60     1.09539   111.34431    61.49176
   72    70 S   HC   _H7_    61     1.09527   110.80108   -58.68961
   73    70 S   HC   _H8_    62     1.09492   110.69458  -178.24498
   74    66 S   CT   _C6_    63     1.52605   110.51391  -177.51990
   75    74 S   HC   _H10    64     1.09508   111.39447   -61.50930
   76    74 S   HC   _H11    65     1.09479   110.71892   178.27490
   77    74 S   HC   _H12    66     1.09559   110.76791    58.74734
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  13   2   1   1  28  16   7  22  12   4  16   7   6   9   3   2
   1   3   1  10   9   4   3   9   6  12   4   4   1   1   4   2
   1   9   8   1   1   7   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    63    40    43    53    58    59    66    46    50  
   35    36  
   36  
    0  
   38    39    41    42    52    56    63    64    65    40    43    44    45    53    54    55    58    59    66    67    70    74    46    47    48    49    50    51  
   39    41    42    52    56    63    40    43    53    58    59    66    46    60    50    51  
   41    42    52    40    58    50    51  
   43    44    45    53    54    55    58    59    66    46    47    48    49    68    50    41    52    56    57    63    64    65  
   42    52    56    57    63    58    68    60    61    62    50    51  
   52    56    60    50  
   44    45    53    54    55    58    59    66    46    47    48    49    56    63    64    65  
   45    53    54    55    58    46    63  
   53    54    55    58    46    63  
   47    48    49    53    56    58    63    64    65  
   48    49    63  
   49    63  
   63  
   51    52    58  
    0  
   56    57    63    64    65    68    69    60    61    62  
   54    55    58    59    66    67    70    74    63  
   55    58    59    66  
   58    59    66  
   57    63    64    65    68    69    60    61    62  
   63    64    65    68    69    60  
   59    66    67    70    71    72    73    74    75    76    77    63  
   66    67    70    74  
   61    62    63    68  
   62  
    0  
   64    65    68    69  
   65    68  
   68  
   67    70    71    72    73    74    75    76    77  
   70    71    72    73    74    75    76    77  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   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   655.000  1.490
   33    37   320.000  1.410
   37    38   268.000  1.529
   37    40   268.000  1.529
   37    58   268.000  1.529
   38    39   340.000  1.090
   38    41   317.000  1.510
   38    50   320.000  1.410
   41    42   340.000  1.080
   41    52   549.000  1.340
   52    56   317.000  1.510
   52    60   320.000  1.462
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    68   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    43   268.000  1.529
   40    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   68    69   553.000  0.945
   60    61   570.000  1.229
   60    62   340.000  1.090
   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    50.00000  109.50000
   33    37    40    50.00000  109.50000
   33    37    58    50.00000  109.50000
   37    38    39    37.50000  110.70000
   37    38    41    70.00000  112.02700
   37    38    50    50.00000  109.50000
   37    40    63    58.35000  112.70000
   37    40    43    58.35000  112.70000
   37    40    46    58.35000  112.70000
   37    58    53    58.35000  112.70000
   37    58    59    37.50000  110.70000
   37    58    66    58.35000  112.70000
   38    41    42    35.00000  117.00000
   38    41    52    70.00000  124.00000
   38    50    51    55.00000  108.50000
   41    38    39    35.00000  109.50000
   41    52    56    70.00000  124.00000
   41    52    60    65.00000  118.96000
   52    41    42    35.00000  120.00000
   52    56    57    35.00000  109.50000
   52    56    63    70.00000  112.02700
   52    56    68    90.00000  110.39200
   52    60    61    80.00000  123.72100
   52    60    62    40.00000  115.75000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    40    58.35000  112.70000
   56    68    69    55.00000  108.50000
   63    56    57    37.50000  110.70000
   63    40    43    58.35000  112.70000
   63    40    46    58.35000  112.70000
   65    63    64    33.00000  107.80000
   40    37    38    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    53    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   43    53    54    37.50000  110.70000
   43    53    55    37.50000  110.70000
   43    53    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   53    43    44    37.50000  110.70000
   53    43    45    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    66    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    37    38    58.35000  112.70000
   58    37    40    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    70    58.35000  112.70000
   58    66    74    58.35000  112.70000
   66    58    59    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    77    37.50000  110.70000
   70    66    67    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   46    40    43    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   68    56    57    35.00000  109.50000
   68    56    63    50.00000  109.50000
   60    52    56    65.00000  116.34900
   62    60    61    35.00000  123.00000
   50    38    39    35.00000  109.50000
   50    38    41    90.00000  110.39200
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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    40   0.37500  1.0 3.0
   29    33    37    58   0.37500  1.0 3.0
   33    37    38    39   0.23400  1.0 3.0
   33    37    38    41   0.61850  1.0 1.0
   33    37    38    41  -0.22750 -1.0 2.0
   33    37    38    41   0.15300  1.0 3.0
   33    37    38    50   3.69350  1.0 1.0
   33    37    38    50  -1.82950 -1.0 2.0
   33    37    40    63   0.62750  1.0 1.0
   33    37    40    63  -0.30950 -1.0 2.0
   33    37    40    63   0.27300  1.0 3.0
   33    37    40    43   0.62750  1.0 1.0
   33    37    40    43  -0.30950 -1.0 2.0
   33    37    40    43   0.27300  1.0 3.0
   33    37    40    46   0.62750  1.0 1.0
   33    37    40    46  -0.30950 -1.0 2.0
   33    37    40    46   0.27300  1.0 3.0
   33    37    58    53   0.62750  1.0 1.0
   33    37    58    53  -0.30950 -1.0 2.0
   33    37    58    53   0.27300  1.0 3.0
   33    37    58    59   0.23400  1.0 3.0
   33    37    58    66   0.62750  1.0 1.0
   33    37    58    66  -0.30950 -1.0 2.0
   33    37    58    66   0.27300  1.0 3.0
   37    38    41    42   0.00000  1.0 1.0
   37    38    41    52   0.09850  1.0 1.0
   37    38    41    52   0.15250 -1.0 2.0
   37    38    41    52  -0.50650  1.0 3.0
   37    38    50    51  -0.11600  1.0 1.0
   37    38    50    51  -0.09450 -1.0 2.0
   37    38    50    51   0.21250  1.0 3.0
   37    40    43    44   0.15000  1.0 3.0
   37    40    43    45   0.15000  1.0 3.0
   37    40   -43    53   0.56750  1.0 1.0
   37    40   -43    53  -0.07550 -1.0 2.0
   37    40   -43    53   0.20000  1.0 3.0
   37    40    46    47   0.15000  1.0 3.0
   37    40    46    48   0.15000  1.0 3.0
   37    40    46    49   0.15000  1.0 3.0
   37    58    66    67   0.15000  1.0 3.0
   37    58    66    70   0.56750  1.0 1.0
   37    58    66    70  -0.07550 -1.0 2.0
   37    58    66    70   0.20000  1.0 3.0
   37    58    66    74   0.56750  1.0 1.0
   37    58    66    74  -0.07550 -1.0 2.0
   37    58    66    74   0.20000  1.0 3.0
   38    37    40    63   0.56750  1.0 1.0
   38    37    40    63  -0.07550 -1.0 2.0
   38    37    40    63   0.20000  1.0 3.0
   38    37    40    43   0.56750  1.0 1.0
   38    37    40    43  -0.07550 -1.0 2.0
   38    37    40    43   0.20000  1.0 3.0
   38    37    40    46   0.56750  1.0 1.0
   38    37    40    46  -0.07550 -1.0 2.0
   38    37    40    46   0.20000  1.0 3.0
   38    37    58    53   0.56750  1.0 1.0
   38    37    58    53  -0.07550 -1.0 2.0
   38    37    58    53   0.20000  1.0 3.0
   38    37    58    59   0.15000  1.0 3.0
   38    37    58    66   0.56750  1.0 1.0
   38    37    58    66  -0.07550 -1.0 2.0
   38    37    58    66   0.20000  1.0 3.0
   38    41    52    56   7.00000 -1.0 2.0
   38    41    52    60   7.00000 -1.0 2.0
   39    38    41    42   0.33100  1.0 3.0
   39    38    41    52   0.00000  1.0 1.0
   39    38    50    51   0.19450  1.0 3.0
   41    38    50    51  -0.07800  1.0 1.0
   41    38    50    51  -0.21500 -1.0 2.0
   41    38    50    51  -0.03150  1.0 3.0
   41    52    56    57   0.00000  1.0 1.0
   41    52    56    63   0.09850  1.0 1.0
   41    52    56    63   0.15250 -1.0 2.0
   41    52    56    63  -0.50650  1.0 3.0
   41    52    56    68   0.67800  1.0 1.0
   41    52    56    68   0.47050 -1.0 2.0
   41    52    56    68  -0.62500  1.0 3.0
   41    52    60    61   1.00000 -1.0 2.0
   41    52    60    62  -0.79650  1.0 1.0
   41    52    60    62   1.60950 -1.0 2.0
   41    52    60    62  -0.26250  1.0 3.0
   42    41    52    56   7.00000 -1.0 2.0
   42    41    52    60   7.00000 -1.0 2.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    65   0.15000  1.0 3.0
   52    56    63    40   0.34400  1.0 1.0
   52    56    63    40   0.09450 -1.0 2.0
   52    56    63    40   0.11100  1.0 3.0
   52    56    68    69  -0.07800  1.0 1.0
   52    56    68    69  -0.21500 -1.0 2.0
   52    56    68    69  -0.03150  1.0 3.0
   56    52    60    61  -0.64400  1.0 1.0
   56    52    60    61   0.26850 -1.0 2.0
   56    52    60    62  -0.07900  1.0 1.0
   56    52    60    62   0.77700 -1.0 2.0
   56    52    60    62   0.13200  1.0 3.0
   56    63    40    37   0.56750  1.0 1.0
   56    63    40    37  -0.07550 -1.0 2.0
   56    63    40    37   0.20000  1.0 3.0
   56    63    40    43   0.56750  1.0 1.0
   56    63    40    43  -0.07550 -1.0 2.0
   56    63    40    43   0.20000  1.0 3.0
   56    63    40    46   0.56750  1.0 1.0
   56    63    40    46  -0.07550 -1.0 2.0
   56    63    40    46   0.20000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    40   0.15000  1.0 3.0
   57    56    68    69   0.19450  1.0 3.0
   63    56    68    69  -0.11600  1.0 1.0
   63    56    68    69  -0.09450 -1.0 2.0
   63    56    68    69   0.21250  1.0 3.0
   63    40    43    44   0.15000  1.0 3.0
   63    40    43    45   0.15000  1.0 3.0
   63    40    43    53   0.56750  1.0 1.0
   63    40    43    53  -0.07550 -1.0 2.0
   63    40    43    53   0.20000  1.0 3.0
   63    40    46    47   0.15000  1.0 3.0
   63    40    46    48   0.15000  1.0 3.0
   63    40    46    49   0.15000  1.0 3.0
   64    63    40    37   0.15000  1.0 3.0
   64    63    40    43   0.15000  1.0 3.0
   64    63    40    46   0.15000  1.0 3.0
   65    63    40    37   0.15000  1.0 3.0
   65    63    40    43   0.15000  1.0 3.0
   65    63    40    46   0.15000  1.0 3.0
   40    37    38    39   0.15000  1.0 3.0
   40    37    38    41   0.34400  1.0 1.0
   40    37    38    41   0.09450 -1.0 2.0
   40    37    38    41   0.11100  1.0 3.0
   40    37    38    50   0.86500  1.0 1.0
   40    37    38    50  -0.17500 -1.0 2.0
   40    37    38    50   0.20800  1.0 3.0
   40    37   -58    53   0.56750  1.0 1.0
   40    37   -58    53  -0.07550 -1.0 2.0
   40    37   -58    53   0.20000  1.0 3.0
   40    37    58    59   0.15000  1.0 3.0
   40    37    58    66   0.56750  1.0 1.0
   40    37    58    66  -0.07550 -1.0 2.0
   40    37    58    66   0.20000  1.0 3.0
   40    43    53    54   0.15000  1.0 3.0
   40    43    53    55   0.15000  1.0 3.0
   40    43   -53    58   0.56750  1.0 1.0
   40    43   -53    58  -0.07550 -1.0 2.0
   40    43   -53    58   0.20000  1.0 3.0
   43    40    46    47   0.15000  1.0 3.0
   43    40    46    48   0.15000  1.0 3.0
   43    40    46    49   0.15000  1.0 3.0
   43    53   -58    37   0.56750  1.0 1.0
   43    53   -58    37  -0.07550 -1.0 2.0
   43    53   -58    37   0.20000  1.0 3.0
   43    53    58    59   0.15000  1.0 3.0
   43    53    58    66   0.56750  1.0 1.0
   43    53    58    66  -0.07550 -1.0 2.0
   43    53    58    66   0.20000  1.0 3.0
   44    43    53    54   0.15000  1.0 3.0
   44    43    53    55   0.15000  1.0 3.0
   44    43    53    58   0.15000  1.0 3.0
   45    43    53    54   0.15000  1.0 3.0
   45    43    53    55   0.15000  1.0 3.0
   45    43    53    58   0.15000  1.0 3.0
   53    58    66    67   0.15000  1.0 3.0
   53    58    66    70   0.56750  1.0 1.0
   53    58    66    70  -0.07550 -1.0 2.0
   53    58    66    70   0.20000  1.0 3.0
   53    58    66    74   0.56750  1.0 1.0
   53    58    66    74  -0.07550 -1.0 2.0
   53    58    66    74   0.20000  1.0 3.0
   54    53    58    37   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    66   0.15000  1.0 3.0
   55    53    58    37   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    66   0.15000  1.0 3.0
   58    37    38    39   0.15000  1.0 3.0
   58    37    38    41   0.34400  1.0 1.0
   58    37    38    41   0.09450 -1.0 2.0
   58    37    38    41   0.11100  1.0 3.0
   58    37    38    50   0.86500  1.0 1.0
   58    37    38    50  -0.17500 -1.0 2.0
   58    37    38    50   0.20800  1.0 3.0
   58    37    40    63   0.56750  1.0 1.0
   58    37    40    63  -0.07550 -1.0 2.0
   58    37    40    63   0.20000  1.0 3.0
   58    37   -40    43   0.56750  1.0 1.0
   58    37   -40    43  -0.07550 -1.0 2.0
   58    37   -40    43   0.20000  1.0 3.0
   58    37    40    46   0.56750  1.0 1.0
   58    37    40    46  -0.07550 -1.0 2.0
   58    37    40    46   0.20000  1.0 3.0
   58    66    70    71   0.15000  1.0 3.0
   58    66    70    72   0.15000  1.0 3.0
   58    66    70    73   0.15000  1.0 3.0
   58    66    74    75   0.15000  1.0 3.0
   58    66    74    76   0.15000  1.0 3.0
   58    66    74    77   0.15000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    70   0.15000  1.0 3.0
   59    58    66    74   0.15000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    77   0.15000  1.0 3.0
   70    66    74    75   0.15000  1.0 3.0
   70    66    74    76   0.15000  1.0 3.0
   70    66    74    77   0.15000  1.0 3.0
   74    66    70    71   0.15000  1.0 3.0
   74    66    70    72   0.15000  1.0 3.0
   74    66    70    73   0.15000  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40    43    53   0.56750  1.0 1.0
   46    40    43    53  -0.07550 -1.0 2.0
   46    40    43    53   0.20000  1.0 3.0
   68    56    63    64   0.23400  1.0 3.0
   68    56    63    65   0.23400  1.0 3.0
   68    56    63    40   0.86500  1.0 1.0
   68    56    63    40  -0.17500 -1.0 2.0
   68    56    63    40   0.20800  1.0 3.0
   60    52    56    57   0.15000  1.0 3.0
   60    52    56    63   0.09700  1.0 1.0
   60    52    56    63   0.15600 -1.0 2.0
   60    52    56    63  -0.50800  1.0 3.0
   60    52    56    68   0.09700  1.0 1.0
   60    52    56    68   0.15600 -1.0 2.0
   60    52    56    68  -0.50800  1.0 3.0
   50    38    41    42   0.00000  1.0 1.0
   50    38    41    52   0.67800  1.0 1.0
   50    38    41    52   0.47050 -1.0 2.0
   50    38    41    52  -0.62500  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
   38    42    41    52   1.10000 -1.0 2.0
   60    56    52    41   1.10000 -1.0 2.0
   52    62    60    61  10.50000 -1.0 2.0
END
