* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    232     419
    1     0 S   NP   _N1_     1    34.28871    99.65574   -19.56849
    2     1 S   H    _HN1     2     1.03199   129.98105   -64.75878
    3     1 S   H    _H1_     3     1.02791    77.28425  -167.36491
    4     1 S   H    _H2_     4     1.03250   119.49205    89.50219
    5     1 S   CT   _CA1     5     1.49823    33.83866     7.74732
    6     5 S   HC   _HA1     6     1.09048   104.65739   156.08766
    7     5 S   CO3  _C1_     7     1.54137   113.58245    37.31893
    8     7 S   O2Z  _O11     8     1.26487   115.17174   -15.54395
    9     7 S   O2Z  _O12     9     1.26321   115.35189   165.10316
   10     5 S   CT   _CB1    10     1.53530   109.06389   -84.69678
   11    10 S   HC   HB11    11     1.09621   111.38051   -21.04668
   12    10 S   HC   HB12    12     1.09809   109.28519    95.57960
   13    10 S   CT   _CG1    13     1.53774   112.46488  -144.29441
   14    13 S   HC   HG11    14     1.09699   108.88204  -139.04813
   15    13 S   HC   HG12    15     1.09468   112.72253   -20.55393
   16    13 S   C    _CD1    16     1.51851   112.14926   102.85316
   17    16 S   O    _OE1    17     1.22958   121.49589   115.11979
   18    16 S   N    _N2_    18     1.38293   113.75845   -63.85267
   19    18 S   H    _HN2    19     1.01584   119.20161   -10.76256
   20    18 S   CT1  _CA2    20     1.46170   122.79228   177.00278
   21    20 S   HC   _HA2    21     1.09671   108.43617    45.65973
   22    20 S   C    _C2_    22     1.53263   109.10240   -71.26777
   23    22 S   O    _O2_    23     1.23083   121.33199   149.12363
   24    20 S   CT   _CB2    32     1.53158   111.35767   169.67021
   25    24 S   HC   HB21    33     1.09103   109.52679    51.68850
   26    24 S   HC   HB22    34     1.09545   110.30320   169.72980
   27    22 S   N    _N3_    24     1.38147   114.08231   -37.83909
   28    27 S   H    _HN3    25     1.01562   118.99554     0.30901
   29    24 S   S    _SG2    35     1.82541   111.65660   -70.74696
   30    27 S   CT   _CA3    26     1.45199   123.42600  -179.69226
   31    30 S   HC   HA31    27     1.09566   107.96080   -47.76511
   32    30 S   HC   HA32    28     1.09495   107.64628    68.59333
   33    29 S   CT   _C18    36     1.85040   101.61628   139.25185
   34    33 S   OM   _O38    37     1.32023   109.11852   164.84006
   35    30 S   CO3  _C3_    29     1.52988   113.82528  -169.85241
   36    35 S   O2Z  _O31    30     1.26473   115.98447   -10.45941
   37    35 S   O2Z  _O32    31     1.26422   114.54606   169.29049
   38    33 S   CM   _C19    38     1.51774   111.71678   -73.58010
   39    33 S   CO4  _C17    71     1.53461   109.63141    51.43019
   40    39 S   O    _O33    72     1.23562   122.49069    31.43060
   41    38 S   CMA  _C20    39     1.36671   127.35832   121.76394
   42    41 S   OM   _O36    40     1.27349   128.17630  -175.91337
   43    38 S   C    _C23    73     1.51078   116.81663   -57.91952
   44    43 S   O    _O37    74     1.22655   122.70414    73.09756
   45    41 S   CT   _C21    41     1.58367   118.25881     3.72988
   46    45 S   OM   _O35    42     1.33198   112.01549   143.62646
   47    43 S   N    _N4_    75     1.37520   113.23217  -106.49862
   48    47 S   H    _H12    76     1.01423   121.44764    -1.49161
   49    47 S   H    _H13    77     1.01226   120.70142  -179.55020
   50    45 S   CO4  _C22    43     1.54582   110.40563   -99.17240
   51    50 S   O    _O34    44     1.23295   121.89341   -24.52608
   52    50 S   CA   _C13    45     1.50958   119.87983   156.12511
   53    52 S   CA   _C14    46     1.40418   120.45123    -6.24513
   54    52 S   CA   _C12    57     1.41161   120.39552   173.73302
   55    53 S   CA   _C5_    47     1.42313   119.47463   177.50943
   56    54 S   OH   _O39    58     1.37618   120.76723    -2.40664
   57    56 S   HO   _H14    59     0.97283   110.14469     1.48596
   58    53 S   CT   _C15    66     1.51436   120.80937    -0.60523
   59    58 S   HC   _H10    67     1.09785   107.86672   102.06862
   60    58 S   HC   _H11    68     1.09687   109.86353  -141.98052
   61    55 S   CA   _C6_    48     1.42999   120.82335     6.02187
   62    55 S   CT   _C4_    62     1.51822   119.77764  -175.68071
   63    62 S   HC   _H4_    63     1.09423   110.00103   -98.14089
   64    62 S   HC   _H5_    64     1.09306   112.86047    23.57060
   65    62 S   HC   _H6_    65     1.09477   111.13630   140.12172
   66    45 S   CT   _C16    69     1.54402   112.08058    23.03664
   67    66 S   HC   _H3_    70     1.10245   110.53193    65.76015
   68    61 S   CA   _C7_    49     1.41898   122.17951   174.63845
   69    68 S   HA   _H7_    50     1.08773   121.01141    -1.49685
   70    68 S   CA   _C8_    51     1.39352   122.73409   179.27638
   71    70 S   HA   _H8_    52     1.08594   120.09966  -179.97202
   72    70 S   CA   _C9_    53     1.38076   119.56558     0.19683
   73    72 S   HA   _H9_    54     1.08593   119.49843   179.95154
   74    72 S   CA   _C10    55     1.39547   119.28217     0.37168
   75    61 S   CA   _C11    56     1.41819   119.77055    -5.19305
   76    74 S   OH   _O40    60     1.37445   117.26878   179.26671
   77    76 S   HO   _H15    61     0.97136   109.61208    -0.23070
  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   8   5   4   3
  13   6   2   1   1  13  12   4  12   5   5   3  11   6   2   1
   1  10   4  13  15  10  14   4   1   6   3   2  12   5   2   1
   1   1   1   7   4   6   3   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    66    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    58    66    67    39    40    43    44    47  
   38    41    66    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    50    66    39    40    43    44    47    48    49  
   40    43    41    45    46    50    53    58    59    60    66    67  
   45    58    66    67  
   42    45    46    50    51    52    58    66    67    43    44    47  
   45    46    50    66    43  
   44    47    48    49    45  
   47    48    49  
   46    50    51    52    53    54    58    59    60    66    67  
   50    51    52    58    66    67  
   48    49  
   49  
    0  
   51    52    53    55    75    54    56    58    66    67  
   52    53    54    66  
   53    55    61    74    75    54    56    57    62    58    59    60    66  
   55    61    68    75    54    56    62    63    64    65    58    59    60    66    67  
   56    57    76    58    55    61    68    72    74    75  
   61    68    69    70    74    75    62    63    64    65    58    59    60    66  
   57    61    74    75  
   75  
   59    60    66    67    61    62  
   60    66    67  
   66    67  
   68    69    70    71    72    74    75    76    62    63    64    65  
   63    64    65    68    75  
   64    65  
   65  
    0  
   67  
    0  
   69    70    71    72    73    74    75  
   70    71    72    75  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76    77  
   74    75    76  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    46   570.000  1.307
   45    50   317.000  1.522
   45    66   268.000  1.529
   50    51   570.000  1.229
   50    52   310.000  1.470
   52    53   469.000  1.400
   52    54   469.000  1.400
   53    55   469.000  1.400
   53    58   317.000  1.510
   55    61   469.000  1.400
   55    62   317.000  1.510
   61    68   469.000  1.400
   61    75   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    54   469.000  1.400
   54    56   450.000  1.364
   56    57   553.000  0.945
   76    77   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    39   317.000  1.522
   39    40   570.000  1.229
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    49   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    66    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    47    80.00000  111.56200
   41    45    46    85.00000  110.90400
   41    45    50    70.00000  109.06800
   41    45    66    70.00000  112.02700
   45    41    42    85.00000  112.85300
   45    50    51    80.00000  120.40000
   45    50    52    65.00000  115.47100
   45    66    58    58.35000  112.70000
   45    66    67    37.50000  110.70000
   45    66    39    63.00000  111.10000
   50    45    46    90.00000  108.74100
   50    52    53    60.00000  119.52600
   50    52    54    60.00000  119.52600
   52    50    51    75.00000  123.78400
   52    53    55    63.00000  120.00000
   52    53    58    70.00000  120.00000
   52    54    75    63.00000  120.00000
   52    54    56    70.00000  120.00000
   53    55    61    63.00000  120.00000
   53    55    62    70.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    66    70.00000  112.17500
   55    61    68    63.00000  120.00000
   55    61    75    63.00000  120.00000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    65    35.00000  109.50000
   61    68    69    35.00000  120.00000
   61    68    70    63.00000  120.00000
   61    75    74    63.00000  120.00000
   61    75    54    63.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    54    63.00000  120.00000
   74    76    77    35.00000  113.00000
   75    61    68    63.00000  120.00000
   75    54    56    70.00000  120.00000
   54    52    53    63.00000  120.00000
   54    56    57    35.00000  113.00000
   76    74    75    70.00000  120.00000
   62    55    61    70.00000  120.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   58    53    55    70.00000  120.00000
   58    66    67    37.50000  110.70000
   58    66    39    63.00000  111.10000
   60    58    59    33.00000  107.80000
   66    45    46    50.00000  109.50000
   66    45    50    63.00000  111.10000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    66    67    35.00000  109.50000
   43    38    41    60.00000  120.04000
   43    47    48    35.00000  119.80000
   43    47    49    35.00000  119.80000
   47    43    44    80.00000  122.90000
   49    47    48    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    66   0.65300  1.0 1.0
   29    33    39    66  -0.03850 -1.0 2.0
   29    33    39    66   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    47   1.59650  1.0 1.0
   33    38    43    47   0.42750 -1.0 2.0
   33    38    43    47  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    66   0.55300  1.0 1.0
   34    33    39    66   1.25850 -1.0 2.0
   34    33    39    66  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    66   0.65300  1.0 1.0
   38    33    39    66  -0.03850 -1.0 2.0
   38    33    39    66   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    46   0.39000  1.0 1.0
   38    41    45    46  -0.05800 -1.0 2.0
   38    41    45    46  -0.55150  1.0 3.0
   38    41    45    50  -0.51250  1.0 1.0
   38    41    45    50  -0.88800 -1.0 2.0
   38    41    45    50   0.08850  1.0 3.0
   38    41   -45    66   0.09850  1.0 1.0
   38    41   -45    66   0.15250 -1.0 2.0
   38    41   -45    66  -0.50650  1.0 3.0
   38    43    47    48   2.56700 -1.0 2.0
   38    43    47    49   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    47   0.49500  1.0 1.0
   41    38    43    47   1.31600 -1.0 2.0
   41    38    43    47  -0.02300  1.0 3.0
   41    45    50    51   0.30150 -1.0 2.0
   41    45    50    52   0.65300  1.0 1.0
   41    45    50    52  -0.03850 -1.0 2.0
   41    45    50    52   0.33900  1.0 3.0
   41    45    66    58   0.34400  1.0 1.0
   41    45    66    58   0.09450 -1.0 2.0
   41    45    66    58   0.11100  1.0 3.0
   41    45    66    67   0.15000  1.0 3.0
   41    45    66    39  -0.98800  1.0 1.0
   41    45    66    39   0.48800 -1.0 2.0
   41    45    66    39   0.76800  1.0 3.0
   42    41    45    46   0.09700  1.0 1.0
   42    41    45    46   0.15600 -1.0 2.0
   42    41    45    46  -0.50800  1.0 3.0
   42    41    45    50   0.09700  1.0 1.0
   42    41    45    50   0.15600 -1.0 2.0
   42    41    45    50  -0.50800  1.0 3.0
   42    41    45    66   0.09700  1.0 1.0
   42    41    45    66   0.15600 -1.0 2.0
   42    41    45    66  -0.50800  1.0 3.0
   45    50    52    53   2.26350  1.0 1.0
   45    50    52    53   0.76750 -1.0 2.0
   45    50    52    53   0.22500  1.0 3.0
   45    50    52    54   2.26350  1.0 1.0
   45    50    52    54   0.76750 -1.0 2.0
   45    50    52    54   0.22500  1.0 3.0
   45    66   -39    33   0.60050  1.0 1.0
   45    66   -39    33   0.05600 -1.0 2.0
   45    66   -39    33   0.26150  1.0 3.0
   45    66    39    40   0.30150 -1.0 2.0
   46    45    50    51   0.30150 -1.0 2.0
   46    45    50    52   0.65300  1.0 1.0
   46    45    50    52  -0.03850 -1.0 2.0
   46    45    50    52   0.33900  1.0 3.0
   46    45    66    58   0.62750  1.0 1.0
   46    45    66    58  -0.30950 -1.0 2.0
   46    45    66    58   0.27300  1.0 3.0
   46    45    66    67   0.23400  1.0 3.0
   46    45    66    39  -0.09450  1.0 1.0
   46    45    66    39  -1.12950 -1.0 2.0
   46    45    66    39   0.54000  1.0 3.0
   50    45    66    58  -0.95700  1.0 1.0
   50    45    66    58  -0.18200 -1.0 2.0
   50    45    66    58   0.29450  1.0 3.0
   50    45    66    67  -0.11250  1.0 3.0
   50    45    66    39   0.11950  1.0 1.0
   50    45    66    39   0.20300 -1.0 2.0
   50    45    66    39  -0.70800  1.0 3.0
   50    52    53    55   3.62500 -1.0 2.0
   50    52   -53    58   3.62500 -1.0 2.0
   50    52    54    75   3.62500 -1.0 2.0
   50    52    54    56   3.62500 -1.0 2.0
   51    50    52    53   1.05000 -1.0 2.0
   51    50    52    54   1.05000 -1.0 2.0
   52    53    55    61   3.62500 -1.0 2.0
   52    53    55    62   3.62500 -1.0 2.0
   52    53    58    59   0.00000  1.0 1.0
   52    53    58    60   0.00000  1.0 1.0
   52    53    58    66   0.04150 -1.0 2.0
   52    54    56    57   0.84100 -1.0 2.0
   53    52    54    75   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   53    55    61    68   3.62500 -1.0 2.0
   53    55   -61    75   3.62500 -1.0 2.0
   53    55    62    63   0.00000  1.0 1.0
   53    55    62    64   0.00000  1.0 1.0
   53    55    62    65   0.00000  1.0 1.0
   53    58   -66    45  -0.03700  1.0 1.0
   53    58   -66    45   0.37200 -1.0 2.0
   53    58   -66    45  -0.47300  1.0 3.0
   53    58    66    67   0.43200  1.0 3.0
   53    58    66    39   0.56750  1.0 1.0
   53    58    66    39  -0.07550 -1.0 2.0
   53    58    66    39   0.20000  1.0 3.0
   55    53    58    59   0.00000  1.0 1.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    66   0.04150 -1.0 2.0
   55    61    68    69   3.62500 -1.0 2.0
   55    61    68    70   3.62500 -1.0 2.0
   55    61    75    74   3.62500 -1.0 2.0
   55    61    75    54   3.62500 -1.0 2.0
   61    55    62    63   0.00000  1.0 1.0
   61    55    62    64   0.00000  1.0 1.0
   61    55    62    65   0.00000  1.0 1.0
   61    68    70    71   3.62500 -1.0 2.0
   61    68    70    72   3.62500 -1.0 2.0
   61    75   -54    52   3.62500 -1.0 2.0
   61    75    54    56   3.62500 -1.0 2.0
   68    61    75    74   3.62500 -1.0 2.0
   68    61    75    54   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -75    61   3.62500 -1.0 2.0
   72    74    75    54   3.62500 -1.0 2.0
   72    74    76    77   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75    54    52   3.62500 -1.0 2.0
   74    75    54    56   3.62500 -1.0 2.0
   75    61    68    69   3.62500 -1.0 2.0
   75    61   -68    70   3.62500 -1.0 2.0
   75    74    76    77   0.84100 -1.0 2.0
   75    54    56    57   0.84100 -1.0 2.0
   54    52   -53    55   3.62500 -1.0 2.0
   54    52    53    58   3.62500 -1.0 2.0
   76    74    75    61   3.62500 -1.0 2.0
   76    74    75    54   3.62500 -1.0 2.0
   62    55    61    68   3.62500 -1.0 2.0
   62    55    61    75   3.62500 -1.0 2.0
   58    53    55    61   3.62500 -1.0 2.0
   58    53    55    62   3.62500 -1.0 2.0
   58    66    39    33   0.60050  1.0 1.0
   58    66    39    33   0.05600 -1.0 2.0
   58    66    39    33   0.26150  1.0 3.0
   58    66    39    40   0.30150 -1.0 2.0
   59    58    66    45   0.15000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    39  -0.11250  1.0 3.0
   60    58    66    45   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    39  -0.11250  1.0 3.0
   66    45    50    51   0.30150 -1.0 2.0
   66    45   -50    52   0.05850 -1.0 2.0
   66    45   -50    52   0.17250  1.0 3.0
   67    66    39    33   0.00000  1.0 1.0
   67    66    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    47    48   2.45000 -1.0 2.0
   44    43    47    49   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    52    50    51  10.50000 -1.0 2.0
   53    54    52    50   4.00000 -1.0 2.0
   55    58    53    52   4.00000 -1.0 2.0
   61    62    55    53   4.00000 -1.0 2.0
   68    75    61    55   4.00000 -1.0 2.0
   70    69    68    61   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   74    54    75    61   4.00000 -1.0 2.0
   75    56    54    52   4.00000 -1.0 2.0
   33    66    39    40  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
   49    43    47    48   1.00000 -1.0 2.0
END
