* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    232     419
    1     0 S   NP   _N1_     1    30.93640   100.63452   -22.71991
    2     1 S   H    _HN1     2     1.02748    60.08502   140.97129
    3     1 S   H    _H1_     3     1.03472   167.32118   156.95124
    4     1 S   H    _H2_     4     1.02874    74.86629   -98.32128
    5     1 S   CT   _CA1     5     1.50152    77.57906    17.46896
    6     5 S   HC   _HA1     6     1.09544   104.96167   108.95508
    7     5 S   CO3  _C1_     7     1.53669   113.35198   -11.69686
    8     7 S   O2Z  _O11     8     1.26394   115.09078   -31.55189
    9     7 S   O2Z  _O12     9     1.26250   115.04655   147.86539
   10     5 S   CT   _CB1    10     1.52918   107.30339  -132.69700
   11    10 S   HC   HB11    11     1.09562   109.26699   -41.48264
   12    10 S   HC   HB12    12     1.09839   110.53512    74.15032
   13    10 S   CT   _CG1    13     1.53216   113.18986  -163.70030
   14    13 S   HC   HG11    14     1.09524   111.08437   -88.93675
   15    13 S   HC   HG12    15     1.09619   111.42678    30.66814
   16    13 S   C    _CD1    16     1.51471   108.95616   150.89600
   17    16 S   O    _OE1    17     1.22785   122.02079    90.46068
   18    16 S   N    _N2_    18     1.38495   112.29994   -85.80835
   19    18 S   H    _HN2    19     1.01601   119.18905    -6.48035
   20    18 S   CT1  _CA2    20     1.46058   123.07152   170.07568
   21    20 S   HC   _HA2    21     1.09698   108.79516    29.36210
   22    20 S   C    _C2_    22     1.53373   108.66613   -87.04316
   23    22 S   O    _O2_    23     1.23134   121.12304   152.17177
   24    20 S   CT   _CB2    32     1.53263   111.76509   152.88364
   25    24 S   HC   HB21    33     1.09421   109.25726    54.33271
   26    24 S   HC   HB22    34     1.09460   109.72146   173.81407
   27    22 S   N    _N3_    24     1.38419   114.54964   -34.91957
   28    27 S   H    _HN3    25     1.01494   119.39970     2.51077
   29    24 S   S    _SG2    35     1.82336   110.68231   -65.49612
   30    27 S   CT   _CA3    26     1.45296   123.22558  -177.45147
   31    30 S   HC   HA31    27     1.09554   108.28388   -45.58030
   32    30 S   HC   HA32    28     1.09557   107.12373    70.73493
   33    29 S   CT   _C18    36     1.84632   102.65854  -177.01659
   34    33 S   OM   _O38    37     1.31782   109.53014    76.82015
   35    30 S   CO3  _C3_    29     1.53055   114.45855  -167.61297
   36    35 S   O2Z  _O31    30     1.26441   116.39406    10.71546
   37    35 S   O2Z  _O32    31     1.26421   114.42787  -169.72161
   38    33 S   CM   _C19    38     1.51480   114.16856   -50.34269
   39    33 S   CO4  _C17    71     1.53956   106.69627  -166.45805
   40    39 S   O    _O33    72     1.23589   123.40475  -112.15651
   41    38 S   CMA  _C21    39     1.36602   126.31172   -82.03039
   42    41 S   OM   _O35    40     1.27305   127.94620   179.61083
   43    38 S   C    _C20    73     1.51169   118.29487   101.23845
   44    43 S   O    _O34    74     1.22615   123.18677   -76.40749
   45    41 S   CT   _C22    41     1.58049   119.24231    -2.73838
   46    45 S   OM   _O37    42     1.33085   109.52303   109.50698
   47    43 S   N    _N4_    75     1.37731   112.94473   102.79045
   48    47 S   H    _H12    76     1.01404   121.56007     1.70903
   49    47 S   H    _H13    77     1.01207   120.64668  -179.86438
   50    45 S   CO4  _C23    43     1.56097   109.20972  -134.89798
   51    50 S   O    _O36    44     1.23135   125.75835   -83.10755
   52    50 S   CA   _C13    45     1.48060   117.25692    93.75321
   53    52 S   CA   _C14    46     1.39419   116.78232    46.37180
   54    52 S   CA   _C12    57     1.39942   121.81795  -136.35167
   55    53 S   CA   _C5_    47     1.41209   119.07721   174.38232
   56    54 S   OH   _O39    58     1.37484   119.88167     3.10816
   57    56 S   HO   _H14    59     0.97391   109.48974    -1.87982
   58    53 S   CT   _C15    66     1.50994   116.72533    -3.84873
   59    58 S   HC   _H10    67     1.09775   108.48813    76.31057
   60    58 S   HC   _H11    68     1.09377   112.07832  -166.39594
   61    55 S   CA   _C6_    48     1.43427   120.08072     6.08057
   62    55 S   CT   _C4_    62     1.51400   119.39045  -175.72703
   63    62 S   HC   _H4_    63     1.09393   110.13134   -90.12667
   64    62 S   HC   _H5_    64     1.09390   111.81881    31.69058
   65    62 S   HC   _H6_    65     1.09369   111.99428   147.75553
   66    45 S   CT   _C16    69     1.56965   115.96892   -10.36310
   67    66 S   HC   _H3_    70     1.10205   111.05034   104.28848
   68    61 S   CA   _C7_    49     1.41782   122.15527   174.42771
   69    68 S   HA   _H7_    50     1.08735   121.09150    -1.79253
   70    68 S   CA   _C8_    51     1.39432   122.73541   179.11840
   71    70 S   HA   _H8_    52     1.08611   120.02578  -179.94405
   72    70 S   CA   _C9_    53     1.38155   119.70876     0.19782
   73    72 S   HA   _H9_    54     1.08597   119.44969  -179.87967
   74    72 S   CA   _C10    55     1.39519   119.33771     0.53559
   75    61 S   CA   _C11    56     1.42579   120.12162    -5.24464
   76    74 S   OH   _O40    60     1.37421   117.43850   179.57710
   77    76 S   HO   _H15    61     0.97146   109.38332    -0.13122
  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
