* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    153    241     458
    1     0 S   NP   _N1_     1    28.96823    95.36336   -24.30162
    2     1 S   H    _HN1     2     1.02953    78.63881     7.58693
    3     1 S   H    _H1_     3     1.02832    29.95972   169.21502
    4     1 S   H    _H2_     4     1.02791   109.17366   -98.08125
    5     1 S   CT   _CA1     5     1.50121   131.38604   114.89700
    6     5 S   HC   _HA1     6     1.09575   105.20145    85.07862
    7     5 S   CO3  _C1_     7     1.53781   112.38879   -35.16872
    8     7 S   O2Z  _O11     8     1.26373   115.00859   -44.31541
    9     7 S   O2Z  _O12     9     1.26237   114.92919   134.73293
   10     5 S   CT   _CB1    10     1.53058   107.40403  -156.97368
   11    10 S   HC   HB11    11     1.09838   109.35093   -49.77482
   12    10 S   HC   HB12    12     1.09825   110.47213    66.80055
   13    10 S   CT   _CG1    13     1.53026   112.64014  -170.75337
   14    13 S   HC   HG11    14     1.09580   110.63000   -65.32214
   15    13 S   HC   HG12    15     1.09661   109.84848    53.99125
   16    13 S   C    _CD1    16     1.51776   112.05416   174.38263
   17    16 S   O    _OE1    17     1.22789   123.09939     5.78604
   18    16 S   N    _N2_    18     1.38768   111.75542  -174.11690
   19    18 S   H    _HN2    19     1.01566   119.09104     1.75011
   20    18 S   CT1  _CA2    20     1.46139   123.26550   178.49260
   21    20 S   HC   _HA2    21     1.09536   108.99377     6.26137
   22    20 S   C    _C2_    22     1.53591   109.20481  -109.06106
   23    22 S   O    _O2_    23     1.23085   122.18413  -149.88441
   24    20 S   CT   _CB2    32     1.53425   112.41693   127.80255
   25    24 S   HC   HB21    33     1.09582   110.52568    64.51327
   26    24 S   HC   HB22    34     1.09487   109.25036  -177.23176
   27    22 S   N    _N3_    24     1.38300   113.88552    37.53655
   28    27 S   H    _HN3    25     1.01553   119.60809    -3.28640
   29    24 S   S    _SG2    35     1.82566   112.31364   -55.89886
   30    27 S   CT   _CA3    26     1.45283   123.24082   177.08657
   31    30 S   HC   HA31    27     1.09549   107.50196   -64.95003
   32    30 S   HC   HA32    28     1.09557   108.00268    51.49899
   33    29 S   CT   _C12    36     1.83464    99.55928  -156.22832
   34    33 S   HC   _H8_    37     1.10095   106.60116   -42.48264
   35    30 S   CO3  _C3_    29     1.52965   114.06682   173.51602
   36    35 S   O2Z  _O31    30     1.26378   116.08150    -0.30196
   37    35 S   O2Z  _O32    31     1.26429   114.41804   179.77358
   38    33 S   CT   _C8_    38     1.55123   116.68452    78.08997
   39    38 S   HC   _H4_    39     1.09865   109.44257   -77.08386
   40    38 S   CT   _C9_    40     1.53855   101.15728   167.49093
   41    40 S   HC   _H5_    41     1.09997   107.83141    78.95256
   42    40 S   CM   _C5_    42     1.50344   112.83017  -162.04530
   43    40 S   CT   _C10    75     1.54342   105.45204   -37.79716
   44    43 S   HC   _H6_    76     1.09769   111.76399  -101.19352
   45    42 S   CM   _C6_    43     1.33934   120.51769     9.76443
   46    45 S   HC   _H17    44     1.08196   123.60095  -175.56655
   47    42 S   CT   _C4_    71     1.49930   117.48746  -167.71308
   48    47 S   HC   _H14    72     1.09435   110.55140   -63.84842
   49    47 S   HC   _H15    73     1.09525   111.95588   176.19672
   50    47 S   HC   _H16    74     1.09473   110.38745    56.31076
   51    33 S   CT   _C11    77     1.55848   111.75259  -162.50254
   52    51 S   OM   _O34    78     1.32282   110.27141    81.69234
   53    51 S   HC   _H7_    79     1.10104   106.44300   -49.43526
   54    43 S   OH   _O35    80     1.42771   108.13065   141.61168
   55    54 S   HO   _H18    81     0.97450   105.77523  -141.58364
   56    45 S   OS   _O33    45     1.36418   126.27711     2.99611
   57    38 S   CO   _C7_    46     1.54594   117.77965    46.90133
   58    57 S   HC   _H3_    47     1.09711   110.29667    49.19577
   59    57 S   OS1  _O36    48     1.43171   108.34157   -71.27287
   60    59 S   CO1  _C13    49     1.43409   113.25503   158.26909
   61    60 S   HC   _H9_    50     1.09777   108.93645    50.67925
   62    60 S   CT   _C14    51     1.53297   106.71898   170.07479
   63    62 S   HC   _H10    52     1.09352   109.63733    48.66410
   64    62 S   CT   _C15    53     1.52947   112.31665   170.59922
   65    64 S   HC   _H11    54     1.09654   110.32704    76.31383
   66    62 S   OH5  _O41    69     1.43023   109.90319   -67.34977
   67    66 S   HO   _H24    70     0.97218   108.14863   -60.56062
   68    64 S   CT   _C16    55     1.53091   111.64866   -46.73224
   69    68 S   HC   _H12    56     1.09692   109.21280   -71.88024
   70    64 S   OH5  _O40    67     1.43081   109.35821  -167.80308
   71    70 S   HO   _H23    68     0.97401   107.88535    59.09732
   72    68 S   CT   _C17    57     1.53062   110.50170    49.42051
   73    72 S   HC   _H13    58     1.09823   111.05690    63.25082
   74    68 S   OH5  _O39    65     1.42646   109.61876   171.22578
   75    74 S   HO   _H22    66     0.97249   108.18365   -58.22816
   76    60 S   OS1  _O37    59     1.42741   110.15511   -70.20332
   77    72 S   CT   _C18    60     1.52969   111.56595  -175.65418
   78    77 S   HC   _H19    61     1.09519   110.97129    69.78548
   79    77 S   HC   _H20    62     1.09387   111.65658   -52.68062
   80    77 S   OH5  _O38    63     1.42524   108.98058  -171.57615
   81    80 S   HO   _H21    64     0.97242   106.98883  -175.47061
  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  10   5   4   3
  16   8   2   1   1  17   9  19   8  12   9   5   9   3   4   2
   1   1   5   2   1   1   1   4   6   2   8  13   6  12   7  13
   7   4   1  12   7   3   1   9   6   3   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    57    43    51    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    56    57    58    59    43    44    51    52    53    54  
   38    39    40    57    43    51    52    53  
   36    37  
   37  
    0  
   39    40    41    42    45    56    57    58    59    60    47    43    44    51    52    53    54  
   40    41    42    56    57    58    59    43    51  
   41    42    45    46    56    57    58    59    47    48    49    50    43    44    51    52    53    54    55  
   42    45    57    47    43    44    51    54  
   45    46    56    57    47    48    49    50    43    44    51    54  
   44    51    52    53    54    55    45    47    57  
   51    52    53    54    55  
   46    56    57    58    59    47    48    49    50  
   56    57    47  
   48    49    50    56  
   49    50  
   50  
    0  
   52    53    54    55    57  
   53    54  
   54  
   55  
    0  
   57    58    59    60  
   58    59    60    61    62    76  
   59    60  
   60    61    62    63    64    72    76    66  
   61    62    63    64    65    68    72    73    76    77    70    66    67  
   62    63    64    72    76    66  
   63    64    65    68    69    72    76    74    70    71    66    67  
   64    65    68    76    70    66    67  
   65    68    69    72    73    76    77    74    75    70    71    66    67  
   68    69    72    74    70    71    66  
   67    68    70    76  
    0  
   69    72    73    76    77    78    79    80    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   78    79    80    81  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    57   250.000  1.527
   40    41   340.000  1.090
   40    42   317.000  1.510
   40    43   268.000  1.529
   42    45   549.000  1.340
   42    47   317.000  1.510
   45    46   340.000  1.080
   45    56   440.000  1.360
   56    57   320.000  1.380
   57    58   340.000  1.090
   57    59   320.000  1.380
   59    60   370.000  1.399
   60    61   360.000  1.097
   60    62   255.000  1.525
   60    76   370.000  1.399
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   335.000  1.422
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   355.000  1.421
   80    81   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   43    44   340.000  1.090
   43    51   268.000  1.529
   43    54   320.000  1.410
   51    52   570.000  1.307
   51    53   340.000  1.090
   54    55   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    57    75.00000  109.43000
   33    51    43    58.35000  112.70000
   33    51    52    50.00000  109.50000
   33    51    53    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    70.00000  112.02700
   38    40    43    58.35000  112.70000
   38    57    56    90.00000  108.56700
   38    57    58    45.00000  112.01100
   38    57    59    90.00000  108.56700
   40    38    39    37.50000  110.70000
   40    42    45    70.00000  124.00000
   40    42    47    65.00000  117.92700
   40    43    44    37.50000  110.70000
   40    43    51    58.35000  112.70000
   40    43    54    50.00000  109.50000
   42    40    41    35.00000  109.50000
   42    45    46    35.00000  120.00000
   42    45    56    80.00000  120.01400
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   45    56    57    85.00000  113.97000
   56    45    46    55.00000  109.52600
   56    57    58    35.00000  109.50000
   56    57    59    92.60000  111.55000
   57    38    39    45.00000  108.72000
   57    38    40    75.00000  109.43000
   57    59    60    90.00000  112.10700
   59    57    58    35.00000  109.50000
   59    60    61    60.00000  105.75400
   59    60    62    90.00000  109.70700
   59    60    76   110.00000  113.16000
   60    62    63    45.00000  109.54000
   60    62    64    70.00000  111.10000
   60    62    66    90.00000  109.42000
   60    76    72    90.00000  112.10700
   62    60    61    45.00000  111.65000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    70    90.00000  111.45300
   62    66    67    65.00000  108.53500
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    74    90.00000  111.45300
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    95.00000  107.88500
   68    72    77    58.35000  112.70000
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    90.00000  111.45300
   76    60    61    60.00000  105.75400
   76    60    62    90.00000  109.70700
   76    72    73    55.00000  108.98800
   77    72    73    37.50000  110.70000
   77    72    76    95.00000  107.88500
   77    80    81    65.00000  108.53500
   79    77    78    33.00000  107.80000
   80    77    78    60.00000  109.39000
   80    77    79    60.00000  109.39000
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    62    63    60.00000  109.39000
   66    62    64    90.00000  111.45300
   47    42    45    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    70.00000  112.02700
   43    51    52    50.00000  109.50000
   43    51    53    37.50000  110.70000
   43    54    55    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    43    44    37.50000  110.70000
   53    51    52    45.00000  125.66300
   54    43    44    35.00000  109.50000
   54    43    51    50.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    57   0.44750  1.0 1.0
   29    33    38    57  -0.17800 -1.0 2.0
   29    33    38    57   0.20200  1.0 3.0
   29    33    51    43   0.44750  1.0 1.0
   29    33    51    43  -0.17800 -1.0 2.0
   29    33    51    43   0.20200  1.0 3.0
   29    33    51    52   0.56750  1.0 1.0
   29    33    51    52  -0.07550 -1.0 2.0
   29    33    51    52   0.20000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.34400  1.0 1.0
   33    38    40    42   0.09450 -1.0 2.0
   33    38    40    42   0.11100  1.0 3.0
   33    38   -40    43   0.56750  1.0 1.0
   33    38   -40    43  -0.07550 -1.0 2.0
   33    38   -40    43   0.20000  1.0 3.0
   33    38    57    56   0.62750  1.0 1.0
   33    38    57    56  -0.30950 -1.0 2.0
   33    38    57    56   0.27300  1.0 3.0
   33    38    57    58   0.15000  1.0 3.0
   33    38    57    59   0.62750  1.0 1.0
   33    38    57    59  -0.30950 -1.0 2.0
   33    38    57    59   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    57   0.15000  1.0 3.0
   34    33    51    43   0.15000  1.0 3.0
   34    33    51    52   0.23400  1.0 3.0
   34    33    51    53   0.15000  1.0 3.0
   38    33   -51    43   0.56750  1.0 1.0
   38    33   -51    43  -0.07550 -1.0 2.0
   38    33   -51    43   0.20000  1.0 3.0
   38    33    51    52   0.62750  1.0 1.0
   38    33    51    52  -0.30950 -1.0 2.0
   38    33    51    52   0.27300  1.0 3.0
   38    33    51    53   0.15000  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.46850  1.0 1.0
   38    40    42    47   0.08550 -1.0 2.0
   38    40    42    47   0.09800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.56750  1.0 1.0
   38    40   -43    51  -0.07550 -1.0 2.0
   38    40   -43    51   0.20000  1.0 3.0
   38    40    43    54   0.86500  1.0 1.0
   38    40    43    54  -0.17500 -1.0 2.0
   38    40    43    54   0.20800  1.0 3.0
   38    57    59    60   0.06250  1.0 1.0
   38    57    59    60  -0.01100 -1.0 2.0
   38    57    59    60   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    57    56   0.23400  1.0 3.0
   39    38    57    58   0.15000  1.0 3.0
   39    38    57    59   0.23400  1.0 3.0
   40    38    57    56   0.62750  1.0 1.0
   40    38    57    56  -0.30950 -1.0 2.0
   40    38    57    56   0.27300  1.0 3.0
   40    38    57    58   0.15000  1.0 3.0
   40    38    57    59   0.62750  1.0 1.0
   40    38    57    59  -0.30950 -1.0 2.0
   40    38    57    59   0.27300  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42   -45    56   7.00000 -1.0 2.0
   40    42    47    48   0.34800  1.0 3.0
   40    42    47    49   0.34800  1.0 3.0
   40    42    47    50   0.34800  1.0 3.0
   40    43   -51    33   0.56750  1.0 1.0
   40    43   -51    33  -0.07550 -1.0 2.0
   40    43   -51    33   0.20000  1.0 3.0
   40    43    51    52   0.62750  1.0 1.0
   40    43    51    52  -0.30950 -1.0 2.0
   40    43    51    52   0.27300  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43    54    55  -0.11600  1.0 1.0
   40    43    54    55  -0.09450 -1.0 2.0
   40    43    54    55   0.21250  1.0 3.0
   41    40    42    45   0.00000  1.0 1.0
   41    40    42    47   0.34800  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    54   0.23400  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    51   0.34400  1.0 1.0
   42    40    43    51   0.09450 -1.0 2.0
   42    40    43    51   0.11100  1.0 3.0
   42    40    43    54   1.05650  1.0 1.0
   42    40    43    54   0.15600 -1.0 2.0
   42    40    43    54   0.53150  1.0 3.0
   42    45    56    57  -2.26850  1.0 1.0
   42    45    56    57   3.39050 -1.0 2.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    50   0.00000  1.0 1.0
   45    56   -57    38  -0.46850  1.0 1.0
   45    56   -57    38   0.09300 -1.0 2.0
   45    56   -57    38  -0.12850  1.0 3.0
   45    56    57    58   0.08050  1.0 3.0
   45    56    57    59  -0.48150  1.0 1.0
   45    56    57    59   0.09250 -1.0 2.0
   45    56    57    59  -0.12850  1.0 3.0
   46    45    56    57   0.50000 -1.0 2.0
   56    57    59    60  -0.53350  1.0 1.0
   56    57    59    60  -0.78350 -1.0 2.0
   56    57    59    60   0.33750  1.0 3.0
   57    38    40    41   0.15000  1.0 3.0
   57    38   -40    42   0.34400  1.0 1.0
   57    38   -40    42   0.09450 -1.0 2.0
   57    38   -40    42   0.11100  1.0 3.0
   57    38    40    43   3.97050  1.0 1.0
   57    59    60    61   0.37050  1.0 3.0
   57    59    60    62   0.06250  1.0 1.0
   57    59    60    62  -0.01100 -1.0 2.0
   57    59    60    62   0.28050  1.0 3.0
   57    59    60    76  -0.12700  1.0 1.0
   57    59    60    76  -1.16200 -1.0 2.0
   57    59    60    76   0.58800  1.0 3.0
   58    57    59    60   0.37050  1.0 3.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.62750  1.0 1.0
   59    60    62    64  -0.30950 -1.0 2.0
   59    60    62    64   0.27300  1.0 3.0
   59    60    62    66   1.51850  1.0 1.0
   59    60    76    72  -0.70400  1.0 1.0
   59    60    76    72  -0.90350 -1.0 2.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    68   0.56750  1.0 1.0
   60    62    64    68  -0.07550 -1.0 2.0
   60    62    64    68   0.20000  1.0 3.0
   60    62    64    70  -0.47750  1.0 1.0
   60    62    66    67   0.29150  1.0 1.0
   60    62    66    67  -0.28350 -1.0 2.0
   60    62    66    67   0.43600  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    66   0.23400  1.0 3.0
   61    60    76    72   0.37050  1.0 3.0
   62    60    76    72   0.06250  1.0 1.0
   62    60    76    72  -0.01100 -1.0 2.0
   62    60    76    72   0.28050  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64   -68    72   0.56750  1.0 1.0
   62    64   -68    72  -0.07550 -1.0 2.0
   62    64   -68    72   0.20000  1.0 3.0
   62    64    68    74  -0.47750  1.0 1.0
   62    64    70    71   0.29150  1.0 1.0
   62    64    70    71  -0.28350 -1.0 2.0
   62    64    70    71   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    70   0.23400  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67   0.29150  1.0 1.0
   64    62    66    67  -0.28350 -1.0 2.0
   64    62    66    67   0.43600  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    76   0.62750  1.0 1.0
   64    68    72    76  -0.30950 -1.0 2.0
   64    68    72    76   0.27300  1.0 3.0
   64    68    72    77   0.56750  1.0 1.0
   64    68    72    77  -0.07550 -1.0 2.0
   64    68    72    77   0.20000  1.0 3.0
   64    68    74    75   0.29150  1.0 1.0
   64    68    74    75  -0.28350 -1.0 2.0
   64    68    74    75   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   65    64    68    74   0.23400  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    72   -76    60   0.06250  1.0 1.0
   68    72   -76    60  -0.01100 -1.0 2.0
   68    72   -76    60   0.28050  1.0 3.0
   68    72    77    78   0.15000  1.0 3.0
   68    72    77    79   0.15000  1.0 3.0
   68    72    77    80  -0.47750  1.0 1.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.23400  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    77    80    81   0.29150  1.0 1.0
   72    77    80    81  -0.28350 -1.0 2.0
   72    77    80    81   0.43600  1.0 3.0
   73    72    76    60   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    60    62    63   0.23400  1.0 3.0
   76    60   -62    64   0.62750  1.0 1.0
   76    60   -62    64  -0.30950 -1.0 2.0
   76    60   -62    64   0.27300  1.0 3.0
   76    60    62    66   1.51850  1.0 1.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   1.51850  1.0 1.0
   77    72    76    60   0.06250  1.0 1.0
   77    72    76    60  -0.01100 -1.0 2.0
   77    72    76    60   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   1.51850  1.0 1.0
   74    68    72    77  -0.47750  1.0 1.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72  -0.47750  1.0 1.0
   70    64    68    74   3.77950  1.0 1.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68  -0.47750  1.0 1.0
   66    62    64    70   3.77950  1.0 1.0
   47    42    45    46   7.00000 -1.0 2.0
   47    42    45    56   7.00000 -1.0 2.0
   43    40    42    45   0.09850  1.0 1.0
   43    40    42    45   0.15250 -1.0 2.0
   43    40    42    45  -0.50650  1.0 3.0
   43    40    42    47   0.46850  1.0 1.0
   43    40    42    47   0.08550 -1.0 2.0
   43    40    42    47   0.09800  1.0 3.0
   44    43    51    33   0.15000  1.0 3.0
   44    43    51    52   0.23400  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    54    55   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    57   3.97050  1.0 1.0
   51    43    54    55  -0.11600  1.0 1.0
   51    43    54    55  -0.09450 -1.0 2.0
   51    43    54    55   0.21250  1.0 3.0
   54    43    51    33   0.86500  1.0 1.0
   54    43    51    33  -0.17500 -1.0 2.0
   54    43    51    33   0.20800  1.0 3.0
   54    43    51    52   3.69350  1.0 1.0
   54    43    51    52  -1.82950 -1.0 2.0
   54    43    51    53   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   40    47    42    45   1.10000 -1.0 2.0
   56    46    45    42   1.10000 -1.0 2.0
END
