* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    239     431
    1     0 S   NP   _N1_     1    28.75524    97.68633   -22.28486
    2     1 S   H    _HN1     2     1.02792   101.07633   -93.93665
    3     1 S   H    _H1_     3     1.02948    63.95875    11.25031
    4     1 S   H    _H2_     4     1.02826    48.38721   161.88709
    5     1 S   CT   _CA1     5     1.50137   145.81966    99.58879
    6     5 S   HC   _HA1     6     1.09575   105.14598   104.32870
    7     5 S   CO3  _C1_     7     1.53770   112.46219   -15.83672
    8     7 S   O2Z  _O11     8     1.26378   115.00210   -42.17007
    9     7 S   O2Z  _O12     9     1.26237   114.94530   136.78227
   10     5 S   CT   _CB1    10     1.53055   107.39026  -137.72677
   11    10 S   HC   HB11    11     1.09841   109.30413   -49.33897
   12    10 S   HC   HB12    12     1.09810   110.48681    67.25336
   13    10 S   CT   _CG1    13     1.53016   112.64757  -170.27587
   14    13 S   HC   HG11    14     1.09570   110.72098   -67.79168
   15    13 S   HC   HG12    15     1.09672   109.69954    51.45350
   16    13 S   C    _CD1    16     1.51819   111.99498   171.90670
   17    16 S   O    _OE1    17     1.22757   123.18197    12.28268
   18    16 S   N    _N2_    18     1.38635   111.81785  -167.65151
   19    18 S   H    _HN2    19     1.01573   119.03391     0.83134
   20    18 S   CT1  _CA2    20     1.46242   123.42871   176.65789
   21    20 S   HC   _HA2    21     1.09741   109.23395     8.43438
   22    20 S   C    _C2_    22     1.53720   109.08556  -107.09165
   23    22 S   O    _O2_    23     1.23093   122.20783  -150.67108
   24    20 S   CT   _CB2    32     1.53431   111.52885   130.39395
   25    24 S   HC   HB21    33     1.09515   109.64627    56.74287
   26    24 S   HC   HB22    34     1.09446   109.75570   175.64405
   27    22 S   N    _N3_    24     1.38303   113.96786    36.89981
   28    27 S   H    _HN3    25     1.01530   119.60792    -3.31440
   29    24 S   S    _SG2    35     1.83357   111.05713   -64.84858
   30    27 S   CT   _CA3    26     1.45271   123.28999   177.18353
   31    30 S   HC   HA31    27     1.09547   107.52746   -64.58679
   32    30 S   HC   HA32    28     1.09556   107.98373    51.87055
   33    29 S   CT   _C20    36     1.85338   101.88116   172.38918
   34    33 S   OM   _O39    37     1.31864   110.22734   -64.80296
   35    30 S   CO3  _C3_    29     1.52973   114.04239   173.87663
   36    35 S   O2Z  _O31    30     1.26385   116.09290     0.14402
   37    35 S   O2Z  _O32    31     1.26427   114.41166  -179.81025
   38    33 S   CO4  _C19    38     1.54108   108.16038    54.07993
   39    38 S   O    _O36    39     1.23711   122.38594  -101.31653
   40    33 S   CT   _C21    70     1.55338   111.74415   174.16918
   41    40 S   HC   _H4_    71     1.10309   109.31751  -177.37527
   42    38 S   CT   _C17    40     1.54157   118.03852    73.09438
   43    42 S   HC   _H3_    41     1.09984   104.55779   -80.99270
   44    40 S   C    _C23    72     1.53966   114.09737    63.75037
   45    44 S   O    _O38    73     1.22869   124.05722   -82.83008
   46    42 S   CT   _C18    42     1.53900   111.71467   164.26229
   47    46 S   HC   _H11    43     1.09714   110.90948   170.85748
   48    46 S   HC   _H12    44     1.09500   107.68228    53.85800
   49    44 S   N    _N4_    74     1.37759   113.61024    97.34505
   50    49 S   H    _H13    75     1.01432   122.26648    -3.73219
   51    49 S   H    _H14    76     1.01328   120.36284  -179.86878
   52    46 S   CA   _C6_    45     1.51684   110.55173   -68.21637
   53    52 S   CA   _C7_    46     1.40004   118.30971   -40.19598
   54    53 S   CA   _C8_    47     1.42055   123.31677   174.04020
   55    54 S   OM   _O34    48     1.28377   121.11642  -177.74971
   56    53 S   CO4  _C15    65     1.50145   115.60053    -9.06343
   57    56 S   O    _O35    66     1.23000   120.84721  -139.17070
   58    54 S   CA   _C9_    49     1.45626   116.44352     0.06853
   59    42 S   CT   _C16    67     1.52428   114.98566    38.21289
   60    58 S   CA   _C10    50     1.44178   121.51889     0.63118
   61    59 S   CO4  _C22    68     1.52369   113.76503   -33.93046
   62    61 S   O    _O37    69     1.23225   120.92602  -138.85281
   63    59 S   OH   _O40    77     1.43579   106.83401  -150.80749
   64    63 S   HO   _H15    78     0.97467   107.30649   178.24364
   65    52 S   CA   _C5_    51     1.40944   122.34384   140.09681
   66    60 S   CA   _C11    56     1.44557   116.90233  -174.82979
   67    66 S   Cl   Cl1_    57     1.74208   124.36176   169.02908
   68    65 S   CT   _C4_    52     1.51437   117.15003    13.52860
   69    68 S   HC   _H5_    53     1.09343   110.90427   -95.57370
   70    68 S   HC   _H6_    54     1.09520   111.95664    25.61237
   71    68 S   HC   _H7_    55     1.09369   111.00216   139.92418
   72    66 S   CA   _C12    58     1.39869   123.06285    -5.49080
   73    72 S   HA   _H8_    59     1.08738   121.26693  -179.47661
   74    72 S   CA   _C13    60     1.37305   119.82766     1.84016
   75    74 S   HA   _H9_    61     1.08607   120.17413   179.94065
   76    58 S   CA   _C14    62     1.43722   121.81780  -179.49178
   77    76 S   OH   _O33    63     1.37978   123.00525    -1.88730
   78    77 S   HO   _H10    64     0.97494   107.50508     0.73222
  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   9   5   4   3
  14   7   2   1   1  14   5  12   6  14   8   7   4  12   5   4
   3   1   1  14  12  11   4   8   3  11   4  12   3   1   1   1
   8   7   3   3   2   1   1   5   3   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    61    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    59    61    62    40    41    44    45    49  
   38    39    42    61    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    56    59    61    40    41    44    63  
   42    43    46    59    40  
   41    44    45    49    50    51    63    42    56    59    61    62  
   44    45    49    59    61    62  
   43    46    47    48    52    53    65    56    57    59    61    62    63    64  
   46    47    48    52    56    59    61    63  
   45    49    50    51    59    61    62  
   49    50    51    61  
   47    48    52    53    54    60    65    68    56    59    61    63  
   48    52    53    65    59  
   52    53    65    59  
   50    51    61  
   51  
    0  
   53    54    55    58    60    65    68    69    70    71    66    56    57    59  
   54    55    58    60    65    68    76    56    57    59    61    63  
   55    58    60    65    66    74    76    77    56    57    59  
   58    60    76    56  
   57    59    61    62    63    64    58    65  
   59    61    63  
   60    65    68    66    67    72    74    75    76    77    78  
   61    62    63    64  
   65    68    69    70    71    66    67    72    73    74    76    77  
   62    63    64  
   63  
   64  
    0  
   68    69    70    71    66    67    72    76  
   67    72    73    74    75    76    68  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   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  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    59   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    65   469.000  1.400
   53    54   469.000  1.400
   53    56   310.000  1.470
   54    55   450.000  1.364
   54    58   469.000  1.400
   58    60   469.000  1.400
   58    76   469.000  1.400
   60    65   469.000  1.400
   60    66   469.000  1.400
   65    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   66    67   300.000  1.725
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   56    57   570.000  1.229
   56    59   317.000  1.522
   59    61   317.000  1.522
   59    63   320.000  1.410
   61    62   570.000  1.229
   61    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
   63    64   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    59    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    59    56    63.00000  111.10000
   42    59    61    63.00000  111.10000
   42    59    63    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    65    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    56    60.00000  119.52600
   52    65    60    63.00000  120.00000
   52    65    68    70.00000  120.00000
   53    54    55    70.00000  120.00000
   53    54    58    63.00000  120.00000
   53    56    57    75.00000  123.78400
   53    56    59    65.00000  115.47100
   54    58    60    63.00000  120.00000
   54    58    76    63.00000  120.00000
   58    54    55    70.00000  120.00000
   58    60    65    63.00000  120.00000
   58    60    66    63.00000  120.00000
   58    76    74    63.00000  120.00000
   58    76    77    70.00000  120.00000
   60    65    68    70.00000  120.00000
   60    66    67    75.00000  120.00000
   60    66    72    63.00000  120.00000
   65    52    53    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   66    60    65    63.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    74    63.00000  120.00000
   72    66    67    75.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    58    60    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   56    53    54    60.00000  119.52600
   56    59    61    75.00000  107.99600
   56    59    63    90.00000  109.61100
   59    42    43    37.50000  110.70000
   59    42    46    58.35000  112.70000
   59    56    57    80.00000  120.40000
   59    61    62    80.00000  120.40000
   59    61    40    70.00000  116.00000
   59    63    64    55.00000  108.50000
   61    40    41    35.00000  109.50000
   61    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    61    62    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
   63    59    61    90.00000  109.61100
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   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    61   0.56750  1.0 1.0
   29    33    40    61  -0.07550 -1.0 2.0
   29    33    40    61   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    59   0.60050  1.0 1.0
   33    38    42    59   0.05600 -1.0 2.0
   33    38    42    59   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    61  -0.09450  1.0 1.0
   34    33    40    61  -1.12950 -1.0 2.0
   34    33    40    61   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    61   0.11950  1.0 1.0
   38    33    40    61   0.20300 -1.0 2.0
   38    33    40    61  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    59    56   0.11950  1.0 1.0
   38    42    59    56   0.20300 -1.0 2.0
   38    42    59    56  -0.70800  1.0 3.0
   38    42   -59    61   0.11950  1.0 1.0
   38    42   -59    61   0.20300 -1.0 2.0
   38    42   -59    61  -0.70800  1.0 3.0
   38    42    59    63  -0.09450  1.0 1.0
   38    42    59    63  -1.12950 -1.0 2.0
   38    42    59    63   0.54000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    59   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    65   0.04150 -1.0 2.0
   42    59    61    62   0.30150 -1.0 2.0
   42    59    61    40   0.60050  1.0 1.0
   42    59    61    40   0.05600 -1.0 2.0
   42    59    61    40   0.26150  1.0 3.0
   42    59    63    64  -0.11600  1.0 1.0
   42    59    63    64  -0.09450 -1.0 2.0
   42    59    63    64   0.21250  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    59    56  -0.11250  1.0 3.0
   43    42    59    61  -0.11250  1.0 3.0
   43    42    59    63   0.23400  1.0 3.0
   46    42    59    56  -0.95700  1.0 1.0
   46    42    59    56  -0.18200 -1.0 2.0
   46    42    59    56   0.29450  1.0 3.0
   46    42    59    61  -0.95700  1.0 1.0
   46    42    59    61  -0.18200 -1.0 2.0
   46    42    59    61   0.29450  1.0 3.0
   46    42    59    63   0.86500  1.0 1.0
   46    42    59    63  -0.17500 -1.0 2.0
   46    42    59    63   0.20800  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    56   3.62500 -1.0 2.0
   46    52    65    60   3.62500 -1.0 2.0
   46    52    65    68   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    65   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    65   0.00000  1.0 1.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    56    57   1.05000 -1.0 2.0
   52    53    56    59   2.26350  1.0 1.0
   52    53    56    59   0.76750 -1.0 2.0
   52    53    56    59   0.22500  1.0 3.0
   52    65    68    69   0.00000  1.0 1.0
   52    65    68    70   0.00000  1.0 1.0
   52    65    68    71   0.00000  1.0 1.0
   53    52    65    60   3.62500 -1.0 2.0
   53    52    65    68   3.62500 -1.0 2.0
   53    54   -58    60   3.62500 -1.0 2.0
   53    54    58    76   3.62500 -1.0 2.0
   53    56   -59    42   0.05850 -1.0 2.0
   53    56   -59    42   0.17250  1.0 3.0
   53    56    59    61   0.65300  1.0 1.0
   53    56    59    61  -0.03850 -1.0 2.0
   53    56    59    61   0.33900  1.0 3.0
   53    56    59    63   0.65300  1.0 1.0
   53    56    59    63  -0.03850 -1.0 2.0
   53    56    59    63   0.33900  1.0 3.0
   54    53    56    57   1.05000 -1.0 2.0
   54    53    56    59   2.26350  1.0 1.0
   54    53    56    59   0.76750 -1.0 2.0
   54    53    56    59   0.22500  1.0 3.0
   54    58    60    65   3.62500 -1.0 2.0
   54    58    60    66   3.62500 -1.0 2.0
   54    58    76    74   3.62500 -1.0 2.0
   54    58    76    77   3.62500 -1.0 2.0
   55    54    58    60   3.62500 -1.0 2.0
   55    54    58    76   3.62500 -1.0 2.0
   58    60   -65    52   3.62500 -1.0 2.0
   58    60    65    68   3.62500 -1.0 2.0
   58    60    66    67   3.62500 -1.0 2.0
   58    60    66    72   3.62500 -1.0 2.0
   58    76    77    78   0.84100 -1.0 2.0
   60    58    76    74   3.62500 -1.0 2.0
   60    58    76    77   3.62500 -1.0 2.0
   60    65    68    69   0.00000  1.0 1.0
   60    65    68    70   0.00000  1.0 1.0
   60    65    68    71   0.00000  1.0 1.0
   60    66    72    73   3.62500 -1.0 2.0
   60    66   -72    74   3.62500 -1.0 2.0
   65    52   -53    54   3.62500 -1.0 2.0
   65    52    53    56   3.62500 -1.0 2.0
   65    60    66    67   3.62500 -1.0 2.0
   65    60    66    72   3.62500 -1.0 2.0
   66    60    65    52   3.62500 -1.0 2.0
   66    60    65    68   3.62500 -1.0 2.0
   66    72    74    75   3.62500 -1.0 2.0
   66    72    74    76   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    74   3.62500 -1.0 2.0
   72    74   -76    58   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -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    76    77    78   0.84100 -1.0 2.0
   75    74    76    58   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    58    60    65   3.62500 -1.0 2.0
   76    58   -60    66   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    58   3.62500 -1.0 2.0
   56    59    61    62   0.30150 -1.0 2.0
   56    59    61    40   0.65300  1.0 1.0
   56    59    61    40  -0.03850 -1.0 2.0
   56    59    61    40   0.33900  1.0 3.0
   56    59    63    64   0.91850  1.0 1.0
   56    59    63    64   0.57950  1.0 3.0
   57    56    59    42   0.30150 -1.0 2.0
   57    56    59    61   0.30150 -1.0 2.0
   57    56    59    63   0.30150 -1.0 2.0
   59    42    46    47   0.15000  1.0 3.0
   59    42    46    48   0.15000  1.0 3.0
   59    42   -46    52  -0.03700  1.0 1.0
   59    42   -46    52   0.37200 -1.0 2.0
   59    42   -46    52  -0.47300  1.0 3.0
   59    61   -40    33   0.60050  1.0 1.0
   59    61   -40    33   0.05600 -1.0 2.0
   59    61   -40    33   0.26150  1.0 3.0
   59    61    40    41   0.00000  1.0 1.0
   59    61    40    44   0.65300  1.0 1.0
   59    61    40    44  -0.03850 -1.0 2.0
   59    61    40    44   0.33900  1.0 3.0
   61    59    63    64   0.91850  1.0 1.0
   61    59    63    64   0.57950  1.0 3.0
   61    40    44    45   0.30150 -1.0 2.0
   61    40    44    49   0.00000  1.0 1.0
   62    61    40    33   0.30150 -1.0 2.0
   62    61    40    41   0.00000  1.0 1.0
   62    61    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -1.0 2.0
   63    59    61    62   0.30150 -1.0 2.0
   63    59    61    40   0.55300  1.0 1.0
   63    59    61    40   1.25850 -1.0 2.0
   63    59    61    40  -0.23600  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
   33    42    38    39  10.50000 -1.0 2.0
   53    65    52    46   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   58    55    54    53   4.00000 -1.0 2.0
   60    76    58    54   4.00000 -1.0 2.0
   65    66    60    58   4.00000 -1.0 2.0
   60    68    65    52   4.00000 -1.0 2.0
   72    67    66    60   4.00000 -1.0 2.0
   74    73    72    66   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    58   4.00000 -1.0 2.0
   53    59    56    57  10.50000 -1.0 2.0
   59    40    61    62  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
