* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02052    86.13124   -75.16199
    3     1 S   H    _H1_     3     1.02064    94.12424    33.35060
    4     1 S   H    _H2_     4     1.02075    33.43174   151.62833
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C19    36     1.84376    97.55602   161.84905
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C20    37     1.53732   109.82235  -179.96044
   38    37 S   O    _O34    38     1.23561   121.10573    16.20565
   39    33 S   CT   _C18    71     1.52871   108.93522    57.73778
   40    39 S   HC   _H12    72     1.07042   112.61791   -66.33196
   41    33 S   C    _C23    75     1.50684   104.31814   -59.88337
   42    41 S   O    _O37    76     1.22864   122.04143   120.41831
   43    37 S   CT   _C21    39     1.55215   116.66812  -169.92893
   44    43 S   OM   _O36    40     1.32270   106.86272   165.27403
   45    39 S   OH   _O38    73     1.42197   111.72134    55.44882
   46    45 S   HO   _H15    74     0.97157   106.80268   179.87489
   47    41 S   N    _N4_    77     1.37452   113.80877   -58.68854
   48    47 S   H    _H13    78     1.01462   118.67788    -0.05595
   49    47 S   H    _H14    79     1.01485   122.60834  -180.00000
   50    43 S   CO4  _C22    41     1.53531   110.89479   -82.08780
   51    50 S   O    _O35    42     1.23178   121.73349   -36.81811
   52    50 S   CA   _C13    43     1.48973   119.51817   143.73535
   53    52 S   CA   _C14    44     1.39720   120.72251     5.66794
   54    52 S   CA   _C12    55     1.40235   119.10690  -174.64738
   55    53 S   CA   _C5_    45     1.40318   119.06766   178.53046
   56    54 S   OH   _O39    56     1.36860   119.64628     1.10394
   57    56 S   HO   _H16    57     0.96767   109.89421    -0.35553
   58    53 S   CT   _C15    64     1.50323   121.71001     0.87335
   59    58 S   HC   _H10    65     1.09850   108.18827    92.72892
   60    58 S   HC   _H11    66     1.09606   110.97063  -150.65023
   61    55 S   CA   _C6_    46     1.40403   121.38353     1.21112
   62    55 S   CT   _C4_    60     1.50349   119.14320  -178.01328
   63    62 S   HC   _H4_    61     1.09283   109.77162   -90.75579
   64    62 S   HC   _H5_    62     1.09337   110.69479    29.74091
   65    62 S   HC   _H6_    63     1.09377   110.67973   148.75721
   66    43 S   CT   _C16    67     1.54202   112.21341    45.71143
   67    66 S   HC   _H3_    68     1.10356   108.96696    68.78637
   68    61 S   CA   _C7_    47     1.40559   121.44242   179.48036
   69    68 S   HA   _H7_    48     1.08724   121.74947    -0.00000
   70    66 S   CO4  _C17    69     1.53161   110.96732   -44.60259
   71    70 S   O    _O33    70     1.23077   123.02802  -129.78035
   72    68 S   CA   _C8_    49     1.39511   120.67294  -179.97202
   73    72 S   HA   _H8_    50     1.08587   119.94845   179.95577
   74    72 S   CA   _C9_    51     1.39139   120.02635     0.03426
   75    74 S   HA   _H9_    52     1.08691   119.47598  -179.96574
   76    74 S   CA   _C10    53     1.39519   119.96038    -0.10835
   77    61 S   CA   _C11    54     1.41166   119.22125    -0.52414
   78    76 S   OH   _O40    58     1.36577   116.06250  -179.96044
   79    78 S   HO   _H17    59     0.96858   110.02829     0.07913
  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  11   5   4   3
  17   2   1   1  16   6  12   6   7   3  13   7   4   1   2   1
   1  11   4  13  16  10  14   4   1   8   4   3  12   5   2   1
   1   3   2   7   4   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    70    39    40    45    41    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    50    66    70    71    39    40    45    46    41    42    47    48    49  
   35    36  
   36  
    0  
   38    43    44    50    51    52    58    66    67    70    39    40    45    41    42    47  
   43    44    50    66    39    41  
   40    45    46    41    42    47    43    58    66    67    70    71  
   45    46    41    66    70    71  
   42    47    48    49    43    45    70  
   47    48    49  
   44    50    51    52    53    54    58    59    60    66    67    70    71  
   50    51    52    58    66    67    70  
   46    66    70    71  
   70  
   48    49  
   49  
    0  
   51    52    53    55    77    54    56    58    66    67    70  
   52    53    54    66  
   53    55    61    76    77    54    56    57    62    58    59    60    66  
   55    61    68    77    54    56    62    63    64    65    58    59    60    66    67    70  
   56    57    78    58    55    61    68    74    76    77  
   61    68    69    72    76    77    62    63    64    65    58    59    60    66  
   57    61    76    77  
   77  
   59    60    66    67    70    71    61    62  
   60    66    67    70  
   66    67    70  
   68    69    72    73    74    76    77    78    62    63    64    65  
   63    64    65    68    77  
   64    65  
   65  
    0  
   67    70    71  
   70    71  
   69    72    73    74    75    76    77  
   72    73    74    77  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.2500   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   1.4250   1.2500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   317.000  1.522
   43    44   570.000  1.307
   43    50   317.000  1.522
   43    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    77   469.000  1.400
   68    69   367.000  1.080
   68    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   469.000  1.400
   76    78   450.000  1.364
   77    54   469.000  1.400
   54    56   450.000  1.364
   56    57   553.000  0.945
   78    79   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    70   317.000  1.522
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    45   320.000  1.410
   45    46   553.000  0.945
   41    42   570.000  1.229
   41    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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    70.00000  116.00000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    50.00000  109.50000
   33    41    42    80.00000  120.40000
   33    41    47    70.00000  116.60000
   37    43    44    90.00000  108.74100
   37    43    50    75.00000  107.99600
   37    43    66    63.00000  111.10000
   43    37    38    80.00000  120.40000
   43    50    51    80.00000  120.40000
   43    50    52    65.00000  115.47100
   43    66    58    58.35000  112.70000
   43    66    67    37.50000  110.70000
   43    66    70    63.00000  111.10000
   50    43    44    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    77    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    77    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    72    63.00000  120.00000
   61    77    76    63.00000  120.00000
   61    77    54    63.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  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    63.00000  120.00000
   74    76    78    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    54    63.00000  120.00000
   76    78    79    35.00000  113.00000
   77    61    68    63.00000  120.00000
   77    54    56    70.00000  120.00000
   54    52    53    63.00000  120.00000
   54    56    57    35.00000  113.00000
   78    76    77    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    70    63.00000  111.10000
   60    58    59    33.00000  107.80000
   66    43    44    50.00000  109.50000
   66    43    50    63.00000  111.10000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    39    70.00000  116.00000
   70    66    67    35.00000  109.50000
   70    39    40    35.00000  109.50000
   70    39    45    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    70    71    80.00000  120.40000
   39    45    46    55.00000  108.50000
   45    39    40    35.00000  109.50000
   41    33    37    70.00000  107.85200
   41    33    39    63.00000  111.10000
   41    47    48    35.00000  119.80000
   41    47    49    35.00000  119.80000
   47    41    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    47   0.00000  1.0 1.0
   33    37    43    44   0.55300  1.0 1.0
   33    37    43    44   1.25850 -1.0 2.0
   33    37    43    44  -0.23600  1.0 3.0
   33    37    43    50   0.65300  1.0 1.0
   33    37    43    50  -0.03850 -1.0 2.0
   33    37    43    50   0.33900  1.0 3.0
   33    37    43    66   0.60050  1.0 1.0
   33    37    43    66   0.05600 -1.0 2.0
   33    37    43    66   0.26150  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   33    41    47    48   2.45000 -1.0 2.0
   33    41    47    49   2.45000 -1.0 2.0
   37    33    39    70   0.11950  1.0 1.0
   37    33    39    70   0.20300 -1.0 2.0
   37    33    39    70  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    45  -0.09450  1.0 1.0
   37    33    39    45  -1.12950 -1.0 2.0
   37    33    39    45   0.54000  1.0 3.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    47   0.00000  1.0 1.0
   37    43    50    51   0.30150 -1.0 2.0
   37    43    50    52   0.65300  1.0 1.0
   37    43    50    52  -0.03850 -1.0 2.0
   37    43    50    52   0.33900  1.0 3.0
   37    43    66    58  -0.95700  1.0 1.0
   37    43    66    58  -0.18200 -1.0 2.0
   37    43    66    58   0.29450  1.0 3.0
   37    43    66    67  -0.11250  1.0 3.0
   37    43   -66    70   0.11950  1.0 1.0
   37    43   -66    70   0.20300 -1.0 2.0
   37    43   -66    70  -0.70800  1.0 3.0
   38    37    43    44   0.30150 -1.0 2.0
   38    37    43    50   0.30150 -1.0 2.0
   38    37    43    66   0.30150 -1.0 2.0
   43    50    52    53   2.26350  1.0 1.0
   43    50    52    53   0.76750 -1.0 2.0
   43    50    52    53   0.22500  1.0 3.0
   43    50    52    54   2.26350  1.0 1.0
   43    50    52    54   0.76750 -1.0 2.0
   43    50    52    54   0.22500  1.0 3.0
   43    66    70    71   0.30150 -1.0 2.0
   43    66    70    39   0.60050  1.0 1.0
   43    66    70    39   0.05600 -1.0 2.0
   43    66    70    39   0.26150  1.0 3.0
   44    43    50    51   0.30150 -1.0 2.0
   44    43    50    52   0.65300  1.0 1.0
   44    43    50    52  -0.03850 -1.0 2.0
   44    43    50    52   0.33900  1.0 3.0
   44    43    66    58   0.62750  1.0 1.0
   44    43    66    58  -0.30950 -1.0 2.0
   44    43    66    58   0.27300  1.0 3.0
   44    43    66    67   0.23400  1.0 3.0
   44    43    66    70  -0.09450  1.0 1.0
   44    43    66    70  -1.12950 -1.0 2.0
   44    43    66    70   0.54000  1.0 3.0
   50    43    66    58  -0.95700  1.0 1.0
   50    43    66    58  -0.18200 -1.0 2.0
   50    43    66    58   0.29450  1.0 3.0
   50    43    66    67  -0.11250  1.0 3.0
   50    43    66    70   0.11950  1.0 1.0
   50    43    66    70   0.20300 -1.0 2.0
   50    43    66    70  -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    77   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    77   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    77   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    43  -0.03700  1.0 1.0
   53    58   -66    43   0.37200 -1.0 2.0
   53    58   -66    43  -0.47300  1.0 3.0
   53    58    66    67   0.43200  1.0 3.0
   53    58    66    70   0.56750  1.0 1.0
   53    58    66    70  -0.07550 -1.0 2.0
   53    58    66    70   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    72   3.62500 -1.0 2.0
   55    61    77    76   3.62500 -1.0 2.0
   55    61    77    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    72    73   3.62500 -1.0 2.0
   61    68    72    74   3.62500 -1.0 2.0
   61    77   -54    52   3.62500 -1.0 2.0
   61    77    54    56   3.62500 -1.0 2.0
   68    61    77    76   3.62500 -1.0 2.0
   68    61    77    54   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72   -74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   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    61   3.62500 -1.0 2.0
   74    76    77    54   3.62500 -1.0 2.0
   74    76    78    79   0.84100 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    77    54    52   3.62500 -1.0 2.0
   76    77    54    56   3.62500 -1.0 2.0
   77    61    68    69   3.62500 -1.0 2.0
   77    61   -68    72   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   77    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
   78    76    77    61   3.62500 -1.0 2.0
   78    76    77    54   3.62500 -1.0 2.0
   62    55    61    68   3.62500 -1.0 2.0
   62    55    61    77   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    70    71   0.30150 -1.0 2.0
   58    66    70    39   0.60050  1.0 1.0
   58    66    70    39   0.05600 -1.0 2.0
   58    66    70    39   0.26150  1.0 3.0
   59    58    66    43   0.15000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    70  -0.11250  1.0 3.0
   60    58    66    43   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    70  -0.11250  1.0 3.0
   66    43    50    51   0.30150 -1.0 2.0
   66    43   -50    52   0.05850 -1.0 2.0
   66    43   -50    52   0.17250  1.0 3.0
   66    70   -39    33   0.60050  1.0 1.0
   66    70   -39    33   0.05600 -1.0 2.0
   66    70   -39    33   0.26150  1.0 3.0
   66    70    39    40   0.00000  1.0 1.0
   66    70    39    45   0.55300  1.0 1.0
   66    70    39    45   1.25850 -1.0 2.0
   66    70    39    45  -0.23600  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    39   0.00000  1.0 1.0
   70    39    45    46   0.91850  1.0 1.0
   70    39    45    46   0.57950  1.0 3.0
   71    70    39    33   0.30150 -1.0 2.0
   71    70    39    40   0.00000  1.0 1.0
   71    70    39    45   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.60050  1.0 1.0
   39    33   -37    43   0.05600 -1.0 2.0
   39    33   -37    43   0.26150  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    47   1.39750  1.0 1.0
   39    33    41    47  -0.07950 -1.0 2.0
   39    33    41    47  -0.18750  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    70   0.11950  1.0 1.0
   41    33    39    70   0.20300 -1.0 2.0
   41    33    39    70  -0.70800  1.0 3.0
   41    33    39    40  -0.11250  1.0 3.0
   41    33    39    45  -0.09450  1.0 1.0
   41    33    39    45  -1.12950 -1.0 2.0
   41    33    39    45   0.54000  1.0 3.0
   42    41    47    48   2.45000 -1.0 2.0
   42    41    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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   43    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    77    61    55   4.00000 -1.0 2.0
   72    69    68    61   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    78    76    74   4.00000 -1.0 2.0
   76    54    77    61   4.00000 -1.0 2.0
   77    56    54    52   4.00000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
   33    47    41    42  10.50000 -1.0 2.0
   49    41    47    48   1.00000 -1.0 2.0
END
