* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    149    248     449
    1     0 S   NP   _N1_     1    28.05528    95.77328   -24.27024
    2     1 S   H    _HN1     2     1.02776   108.59359  -118.54459
    3     1 S   H    _H1_     3     1.02957    84.05159   -11.16144
    4     1 S   H    _H2_     4     1.02835    24.47163   148.96528
    5     1 S   CT   _CA1     5     1.50138   128.58613   100.24039
    6     5 S   HC   _HA1     6     1.09575   105.19829    78.60664
    7     5 S   CO3  _C1_     7     1.53778   112.36174   -41.54836
    8     7 S   O2Z  _O11     8     1.26367   114.99206   -43.59534
    9     7 S   O2Z  _O12     9     1.26236   114.92993   135.44056
   10     5 S   CT   _CB1    10     1.53092   107.41703  -163.50179
   11    10 S   HC   HB11    11     1.09828   109.29693   -50.46224
   12    10 S   HC   HB12    12     1.09815   110.44221    66.08513
   13    10 S   CT   _CG1    13     1.53025   112.69011  -171.52882
   14    13 S   HC   HG11    14     1.09593   110.50466   -65.15486
   15    13 S   HC   HG12    15     1.09660   109.89640    54.04718
   16    13 S   C    _CD1    16     1.51850   112.29840   174.39580
   17    16 S   O    _OE1    17     1.22757   123.27797     1.56248
   18    16 S   N    _N2_    18     1.38565   111.73520  -178.37683
   19    18 S   H    _HN2    19     1.01554   119.06013     4.02253
   20    18 S   CT1  _CA2    20     1.45852   122.84303   177.70518
   21    20 S   HC   _HA2    21     1.09723   108.88492    25.58511
   22    20 S   C    _C2_    22     1.52918   106.85120   -91.54800
   23    22 S   O    _O2_    23     1.22995   122.98483   -29.01962
   24    20 S   CT   _CB2    32     1.53183   112.26504   148.83444
   25    24 S   HC   HB21    33     1.09501   110.01614    54.24942
   26    24 S   HC   HB22    34     1.09528   110.13946   173.17493
   27    22 S   N    _N3_    24     1.38490   112.64146   153.66047
   28    27 S   H    _HN3    25     1.01659   120.37822    -1.56260
   29    24 S   S    _SG2    35     1.82586   111.11135   -66.69731
   30    27 S   CT   _CA3    26     1.45363   122.41862   178.76014
   31    30 S   HC   HA31    27     1.09568   107.65174   -59.62397
   32    30 S   HC   HA32    28     1.09572   107.74019    56.67812
   33    29 S   CT   _C12    36     1.84556    99.66255  -176.67669
   34    33 S   HC   _H7_    37     1.09140   103.54057    48.53178
   35    30 S   CO3  _C3_    29     1.52886   114.40101   178.61931
   36    35 S   O2Z  _O31    30     1.26327   116.08401     1.32766
   37    35 S   O2Z  _O32    31     1.26448   114.40414  -178.67973
   38    33 S   CT   _C11    38     1.53466   111.27246   -70.72057
   39    38 S   HC   _H11    39     1.09900   110.71581   -49.10713
   40    38 S   HC   _H12    40     1.09523   112.88349    70.09655
   41    38 S   CT   _C10    41     1.54564   105.74782  -167.84836
   42    41 S   CT   _C9_    42     1.55591   112.99699   -92.28962
   43    42 S   HC   _H6_    43     1.09538   112.21025   -72.68732
   44    41 S   CT   _C5_    64     1.57616   103.37636    34.56483
   45    41 S   OH   _O36    74     1.43325   106.58279   151.81545
   46    45 S   HO   _H13    75     0.97233   108.16447    56.33126
   47    42 S   CO4  _C15    44     1.50916   110.92740    49.87626
   48    47 S   O    _O37    45     1.21952   126.78502   -94.46322
   49    33 S   CT   _C13    65     1.54655   119.09792   168.65846
   50    49 S   OM   _O35    66     1.31934   113.18923    25.07217
   51    44 S   CT   _C4_    70     1.56020   111.96500   105.56702
   52    51 S   HC   _H8_    71     1.09659   111.53518   -58.15812
   53    51 S   HC   _H9_    72     1.09690   111.42662  -179.24983
   54    51 S   HC   _H10    73     1.08980   112.87288    61.52936
   55    47 S   OS   _O38    46     1.37155   107.75308    84.59397
   56    49 S   CO4  _C14    67     1.51571   113.02285   -95.49965
   57    56 S   O    _O33    68     1.22404   126.45683    59.92103
   58    55 S   CT   _C7_    47     1.44893   108.03554     6.85349
   59    58 S   HC   _H4_    48     1.09471   106.77465   144.85589
   60    63 S   OS   _O34    69     1.43737   107.40728   -52.71202
   61    42 S   CT   _C8_    49     1.53475   116.43617   158.93508
   62    61 S   HC   _H5_    50     1.10538   105.88791  -176.39337
   63    58 S   CT   _C6_    62     1.53931   109.79719   -94.89936
   64    63 S   HC   _H3_    63     1.09608   107.76775  -167.07837
   65    61 S   CT   _C16    51     1.54066   121.61922    65.15084
   66    65 S   CT   _C17    52     1.53594   110.05645   176.57715
   67    66 S   HC   _H14    53     1.09642   110.90197  -178.36745
   68    66 S   HC   _H15    54     1.09557   111.09970    64.00843
   69    66 S   HC   _H16    55     1.09489   111.76456   -57.55717
   70    65 S   CT   _C18    56     1.53424   110.58751    55.77327
   71    70 S   HC   _H17    57     1.09635   110.92333   177.34613
   72    70 S   HC   _H18    58     1.09480   111.30887   -64.94260
   73    70 S   HC   _H19    59     1.09492   111.64764    56.60356
   74    65 S   OH   _O39    60     1.41373   112.04209   -64.74655
   75    74 S   HO   _H20    61     0.97231   108.74915   176.80341
  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
  15   8   2   1   1  15   6   5  22  18   9  18   6   1   8   3
  11   5   8   3   2   1   8   5   2  10   6   3  14   5   2   1
  10   9   4   3   2   5   3   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    63    44    49    50    56    57    60    51    45  
   38    39    40    41    44    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    43    47    61    63    44    49    50    56    51    45    46  
   40    41    42    44    49    45  
   41    42    44    49    45  
   42    43    47    48    55    58    61    62    65    63    64    44    49    50    56    60    51    52    53    54    45    46  
   43    47    48    55    58    59    61    62    65    66    70    74    63    44    49    51    45    46  
   47    48    55    58    61    62    65    44    45  
   49    50    56    57    60    51    52    53    54    45    46    47    55    58    59    61    63    64  
   46    47    49    51    61    63  
    0  
   48    55    58    59    61    62    65    63  
   55    58    61  
   50    56    57    60    51    52    53    54    58    63    64  
   56    57    60    51    63  
   52    53    54    56    58    60    63    64  
   53    54    63  
   54    63  
   63  
   58    59    61    62    65    63    64    60  
   57    60    58    63    64  
   60    63  
   59    61    62    65    66    70    74    63    64    60  
   61    62    65    63    64    60  
   61    63    64  
   62    65    66    67    68    69    70    71    72    73    74    75    63    64  
   65    66    70    74    63  
   64    65  
    0  
   66    67    68    69    70    71    72    73    74    75  
   67    68    69    70    71    72    73    74    75  
   68    69    70    74  
   69    70    74  
   70    74  
   71    72    73    74    75  
   72    73    74  
   73    74  
   74  
   75  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   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
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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    45   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.522
   42    61   268.000  1.529
   47    48   570.000  1.229
   47    55   214.000  1.327
   55    58   320.000  1.410
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   65    66   268.000  1.529
   65    70   268.000  1.529
   65    74   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   553.000  0.945
   63    64   340.000  1.090
   63    44   268.000  1.529
   63    60   320.000  1.410
   44    49   268.000  1.529
   44    51   268.000  1.529
   49    50   570.000  1.307
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    60   214.000  1.327
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    50    50.00000  109.50000
   33    49    56    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    45    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    47    63.00000  111.10000
   41    42    61    58.35000  112.70000
   41    44    63    58.35000  112.70000
   41    44    49    58.35000  112.70000
   41    44    51    58.35000  112.70000
   41    45    46    55.00000  108.50000
   42    47    48    80.00000  120.40000
   42    47    55    81.00000  111.40000
   42    61    58    58.35000  112.70000
   42    61    62    37.50000  110.70000
   42    61    65    58.35000  112.70000
   47    42    43    35.00000  109.50000
   47    55    58    83.00000  116.90000
   55    47    48    83.00000  123.40000
   55    58    59    35.00000  109.50000
   55    58    61    50.00000  109.50000
   55    58    63    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    65    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    44    58.35000  112.70000
   58    63    60    50.00000  109.50000
   61    42    43    37.50000  110.70000
   61    42    47    63.00000  111.10000
   61    58    59    37.50000  110.70000
   61    65    66    58.35000  112.70000
   61    65    70    58.35000  112.70000
   61    65    74    50.00000  109.50000
   65    61    62    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    69    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   65    74    75    55.00000  108.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    66    50.00000  109.50000
   74    65    70    50.00000  109.50000
   63    58    59    37.50000  110.70000
   63    58    61    58.35000  112.70000
   63    44    49    58.35000  112.70000
   63    44    51    58.35000  112.70000
   63    60    56    83.00000  116.90000
   44    41    42    58.35000  112.70000
   44    63    64    37.50000  110.70000
   44    49    50    50.00000  109.50000
   44    49    56    63.00000  111.10000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    60    81.00000  111.40000
   56    49    50    90.00000  108.74100
   60    63    64    35.00000  109.50000
   60    63    44    50.00000  109.50000
   60    56    57    83.00000  123.40000
   51    44    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    41    42    50.00000  109.50000
   45    41    44    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    41    42   0.56750  1.0 1.0
   33    38    41    42  -0.07550 -1.0 2.0
   33    38    41    42   0.20000  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    38    41    45   0.86500  1.0 1.0
   33    38    41    45  -0.17500 -1.0 2.0
   33    38    41    45   0.20800  1.0 3.0
   33    49    56    57   0.30150 -1.0 2.0
   33    49    56    60   0.36750  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    41   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    56  -0.11250  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    50   0.62750  1.0 1.0
   38    33    49    50  -0.30950 -1.0 2.0
   38    33    49    50   0.27300  1.0 3.0
   38    33    49    56  -0.95700  1.0 1.0
   38    33    49    56  -0.18200 -1.0 2.0
   38    33    49    56   0.29450  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    47  -0.95700  1.0 1.0
   38    41    42    47  -0.18200 -1.0 2.0
   38    41    42    47   0.29450  1.0 3.0
   38    41    42    61   0.56750  1.0 1.0
   38    41    42    61  -0.07550 -1.0 2.0
   38    41    42    61   0.20000  1.0 3.0
   38    41    44    63   0.56750  1.0 1.0
   38    41    44    63  -0.07550 -1.0 2.0
   38    41    44    63   0.20000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   38    41    44    51   0.56750  1.0 1.0
   38    41    44    51  -0.07550 -1.0 2.0
   38    41    44    51   0.20000  1.0 3.0
   38    41    45    46  -0.11600  1.0 1.0
   38    41    45    46  -0.09450 -1.0 2.0
   38    41    45    46   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    45   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    45   0.23400  1.0 3.0
   41    42    47    48   0.30150 -1.0 2.0
   41    42    47    55   0.36750  1.0 3.0
   41    42    61    58   0.56750  1.0 1.0
   41    42    61    58  -0.07550 -1.0 2.0
   41    42    61    58   0.20000  1.0 3.0
   41    42    61    62   0.15000  1.0 3.0
   41    42    61    65   0.56750  1.0 1.0
   41    42    61    65  -0.07550 -1.0 2.0
   41    42    61    65   0.20000  1.0 3.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    50   0.62750  1.0 1.0
   41    44    49    50  -0.30950 -1.0 2.0
   41    44    49    50   0.27300  1.0 3.0
   41    44    49    56  -0.95700  1.0 1.0
   41    44    49    56  -0.18200 -1.0 2.0
   41    44    49    56   0.29450  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    54   0.15000  1.0 3.0
   42    41    44    63   0.56750  1.0 1.0
   42    41    44    63  -0.07550 -1.0 2.0
   42    41    44    63   0.20000  1.0 3.0
   42    41    44    49   0.56750  1.0 1.0
   42    41    44    49  -0.07550 -1.0 2.0
   42    41    44    49   0.20000  1.0 3.0
   42    41    44    51   0.56750  1.0 1.0
   42    41    44    51  -0.07550 -1.0 2.0
   42    41    44    51   0.20000  1.0 3.0
   42    41    45    46  -0.11600  1.0 1.0
   42    41    45    46  -0.09450 -1.0 2.0
   42    41    45    46   0.21250  1.0 3.0
   42    47   -55    58   1.63150  1.0 1.0
   42    47   -55    58   2.92000 -1.0 2.0
   42    61    65    66   0.56750  1.0 1.0
   42    61    65    66  -0.07550 -1.0 2.0
   42    61    65    66   0.20000  1.0 3.0
   42    61    65    70   0.56750  1.0 1.0
   42    61    65    70  -0.07550 -1.0 2.0
   42    61    65    70   0.20000  1.0 3.0
   42    61    65    74   0.86500  1.0 1.0
   42    61    65    74  -0.17500 -1.0 2.0
   42    61    65    74   0.20800  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    55   0.00000  1.0 1.0
   43    42    61    58   0.15000  1.0 3.0
   43    42    61    62   0.15000  1.0 3.0
   43    42    61    65   0.15000  1.0 3.0
   47    42   -61    58  -0.95700  1.0 1.0
   47    42   -61    58  -0.18200 -1.0 2.0
   47    42   -61    58   0.29450  1.0 3.0
   47    42    61    62  -0.11250  1.0 3.0
   47    42    61    65  -0.95700  1.0 1.0
   47    42    61    65  -0.18200 -1.0 2.0
   47    42    61    65   0.29450  1.0 3.0
   47    55    58    59   0.08050  1.0 3.0
   47    55   -58    61  -0.25900  1.0 1.0
   47    55   -58    61  -0.47000 -1.0 2.0
   47    55   -58    61   0.11750  1.0 3.0
   47    55    58    63  -0.25900  1.0 1.0
   47    55    58    63  -0.47000 -1.0 2.0
   47    55    58    63   0.11750  1.0 3.0
   48    47    55    58   3.00000 -1.0 2.0
   55    58   -61    42   0.62750  1.0 1.0
   55    58   -61    42  -0.30950 -1.0 2.0
   55    58   -61    42   0.27300  1.0 3.0
   55    58    61    62   0.23400  1.0 3.0
   55    58    61    65   0.62750  1.0 1.0
   55    58    61    65  -0.30950 -1.0 2.0
   55    58    61    65   0.27300  1.0 3.0
   55    58    63    64   0.23400  1.0 3.0
   55    58    63    44   0.62750  1.0 1.0
   55    58    63    44  -0.30950 -1.0 2.0
   55    58    63    44   0.27300  1.0 3.0
   55    58    63    60   1.11900  1.0 1.0
   55    58    63    60  -1.16350 -1.0 2.0
   55    58    63    60  -0.34150  1.0 3.0
   58    61    65    66   0.56750  1.0 1.0
   58    61    65    66  -0.07550 -1.0 2.0
   58    61    65    66   0.20000  1.0 3.0
   58    61    65    70   0.56750  1.0 1.0
   58    61    65    70  -0.07550 -1.0 2.0
   58    61    65    70   0.20000  1.0 3.0
   58    61    65    74   0.86500  1.0 1.0
   58    61    65    74  -0.17500 -1.0 2.0
   58    61    65    74   0.20800  1.0 3.0
   58    63   -44    41   0.56750  1.0 1.0
   58    63   -44    41  -0.07550 -1.0 2.0
   58    63   -44    41   0.20000  1.0 3.0
   58    63    44    49   0.56750  1.0 1.0
   58    63    44    49  -0.07550 -1.0 2.0
   58    63    44    49   0.20000  1.0 3.0
   58    63    44    51   0.56750  1.0 1.0
   58    63    44    51  -0.07550 -1.0 2.0
   58    63    44    51   0.20000  1.0 3.0
   58    63    60    56  -0.25900  1.0 1.0
   58    63    60    56  -0.47000 -1.0 2.0
   58    63    60    56   0.11750  1.0 3.0
   59    58    61    42   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    44   0.15000  1.0 3.0
   59    58    63    60   0.23400  1.0 3.0
   61    42    47    48   0.30150 -1.0 2.0
   61    42   -47    55   0.36750  1.0 3.0
   61    58    63    64   0.15000  1.0 3.0
   61    58    63    44   0.56750  1.0 1.0
   61    58    63    44  -0.07550 -1.0 2.0
   61    58    63    44   0.20000  1.0 3.0
   61    58    63    60   0.62750  1.0 1.0
   61    58    63    60  -0.30950 -1.0 2.0
   61    58    63    60   0.27300  1.0 3.0
   61    65    66    67   0.15000  1.0 3.0
   61    65    66    68   0.15000  1.0 3.0
   61    65    66    69   0.15000  1.0 3.0
   61    65    70    71   0.15000  1.0 3.0
   61    65    70    72   0.15000  1.0 3.0
   61    65    70    73   0.15000  1.0 3.0
   61    65    74    75  -0.11600  1.0 1.0
   61    65    74    75  -0.09450 -1.0 2.0
   61    65    74    75   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    70   0.15000  1.0 3.0
   62    61    65    74   0.23400  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   66    65    74    75  -0.11600  1.0 1.0
   66    65    74    75  -0.09450 -1.0 2.0
   66    65    74    75   0.21250  1.0 3.0
   70    65    66    67   0.15000  1.0 3.0
   70    65    66    68   0.15000  1.0 3.0
   70    65    66    69   0.15000  1.0 3.0
   70    65    74    75  -0.11600  1.0 1.0
   70    65    74    75  -0.09450 -1.0 2.0
   70    65    74    75   0.21250  1.0 3.0
   74    65    66    67   0.23400  1.0 3.0
   74    65    66    68   0.23400  1.0 3.0
   74    65    66    69   0.23400  1.0 3.0
   74    65    70    71   0.23400  1.0 3.0
   74    65    70    72   0.23400  1.0 3.0
   74    65    70    73   0.23400  1.0 3.0
   63    58   -61    42   0.56750  1.0 1.0
   63    58   -61    42  -0.07550 -1.0 2.0
   63    58   -61    42   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    65   0.56750  1.0 1.0
   63    58    61    65  -0.07550 -1.0 2.0
   63    58    61    65   0.20000  1.0 3.0
   63    44    49    33   0.56750  1.0 1.0
   63    44    49    33  -0.07550 -1.0 2.0
   63    44    49    33   0.20000  1.0 3.0
   63    44    49    50   0.62750  1.0 1.0
   63    44    49    50  -0.30950 -1.0 2.0
   63    44    49    50   0.27300  1.0 3.0
   63    44   -49    56  -0.95700  1.0 1.0
   63    44   -49    56  -0.18200 -1.0 2.0
   63    44   -49    56   0.29450  1.0 3.0
   63    44    51    52   0.15000  1.0 3.0
   63    44    51    53   0.15000  1.0 3.0
   63    44    51    54   0.15000  1.0 3.0
   64    63    44    41   0.15000  1.0 3.0
   64    63    44    49   0.15000  1.0 3.0
   64    63    44    51   0.15000  1.0 3.0
   64    63    60    56   0.08050  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    47  -0.95700  1.0 1.0
   44    41    42    47  -0.18200 -1.0 2.0
   44    41    42    47   0.29450  1.0 3.0
   44    41   -42    61   0.56750  1.0 1.0
   44    41   -42    61  -0.07550 -1.0 2.0
   44    41   -42    61   0.20000  1.0 3.0
   44    41    45    46  -0.11600  1.0 1.0
   44    41    45    46  -0.09450 -1.0 2.0
   44    41    45    46   0.21250  1.0 3.0
   44    63   -60    56  -0.25900  1.0 1.0
   44    63   -60    56  -0.47000 -1.0 2.0
   44    63   -60    56   0.11750  1.0 3.0
   44    49    56    57   0.30150 -1.0 2.0
   44    49   -56    60   0.36750  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    44    51    52   0.15000  1.0 3.0
   49    44    51    53   0.15000  1.0 3.0
   49    44    51    54   0.15000  1.0 3.0
   49    56   -60    63   1.63150  1.0 1.0
   49    56   -60    63   2.92000 -1.0 2.0
   50    49    56    57   0.30150 -1.0 2.0
   50    49    56    60   0.40000  1.0 3.0
   57    56    60    63   3.00000 -1.0 2.0
   60    63    44    41   0.62750  1.0 1.0
   60    63    44    41  -0.30950 -1.0 2.0
   60    63    44    41   0.27300  1.0 3.0
   60    63   -44    49   0.62750  1.0 1.0
   60    63   -44    49  -0.30950 -1.0 2.0
   60    63   -44    49   0.27300  1.0 3.0
   60    63    44    51   0.62750  1.0 1.0
   60    63    44    51  -0.30950 -1.0 2.0
   60    63    44    51   0.27300  1.0 3.0
   51    44    49    33   0.56750  1.0 1.0
   51    44    49    33  -0.07550 -1.0 2.0
   51    44    49    33   0.20000  1.0 3.0
   51    44    49    50   0.62750  1.0 1.0
   51    44    49    50  -0.30950 -1.0 2.0
   51    44    49    50   0.27300  1.0 3.0
   51    44    49    56  -0.95700  1.0 1.0
   51    44    49    56  -0.18200 -1.0 2.0
   51    44    49    56   0.29450  1.0 3.0
   45    41    42    43   0.23400  1.0 3.0
   45    41    42    47  -0.09450  1.0 1.0
   45    41    42    47  -1.12950 -1.0 2.0
   45    41    42    47   0.54000  1.0 3.0
   45    41    42    61   0.86500  1.0 1.0
   45    41    42    61  -0.17500 -1.0 2.0
   45    41    42    61   0.20800  1.0 3.0
   45    41    44    63   0.86500  1.0 1.0
   45    41    44    63  -0.17500 -1.0 2.0
   45    41    44    63   0.20800  1.0 3.0
   45    41    44    49   0.86500  1.0 1.0
   45    41    44    49  -0.17500 -1.0 2.0
   45    41    44    49   0.20800  1.0 3.0
   45    41    44    51   0.86500  1.0 1.0
   45    41    44    51  -0.17500 -1.0 2.0
   45    41    44    51   0.20800  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
   42    55    47    48  10.50000 -1.0 2.0
   49    60    56    57  10.50000 -1.0 2.0
END
