* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    145    232     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02043   105.49284   -28.94306
    3     1 S   H    _H1_     3     1.02027    64.99849    74.85419
    4     1 S   H    _H2_     4     1.02102    47.52169  -130.28617
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.83134    97.90532  -178.14987
   34    33 S   HC   _H3_    37     1.10261   104.78692    44.92212
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C9_    38     1.53647   110.45133   159.95719
   39    38 S   HC   _H27    39     1.09474   110.92727    60.07589
   40    38 S   HC   _H28    40     1.09517   108.07583   -56.17885
   41    38 S   CT   _C12    41     1.54890   110.80614  -176.32603
   42    41 S   HC   _H31    42     1.10323   104.59799    53.76027
   43    41 S   CT   _C14    43     1.57569   111.54997   -58.81945
   44    43 S   CT   _C7_    44     1.55492   108.26371   174.43694
   45    44 S   HC   _H23    45     1.09814   109.44503   -68.44590
   46    44 S   HC   _H24    46     1.09719   110.36989   174.93771
   47    43 S   CT   _C11    62     1.57350   106.81809    57.08309
   48    47 S   HC   _H30    63     1.10180   106.48818    61.69068
   49    43 S   CT   _C16    72     1.54854   113.81688   -65.17442
   50    49 S   HC   _H33    73     1.08227   108.75511    59.60700
   51    49 S   HC   _H34    74     1.08213   108.76138   -60.38016
   52    49 S   HC   _H35    75     1.08135   108.75181   179.57756
   53    44 S   CT   _C6_    47     1.52804   113.83494    52.59996
   54    53 S   HC   _H21    48     1.09348   111.01897    68.41940
   55    53 S   HC   _H22    49     1.09744   108.75122  -175.64985
   56    33 S   CT   _C10    64     1.53827   113.33229   -71.43479
   57    56 S   HC   _H29    65     1.10150   108.36153    64.96610
   58    47 S   CO4  _C5_    69     1.50760   113.35271   174.78782
   59    58 S   O    _O17    70     1.22570   123.45325  -114.92134
   60    58 S   HC   _H20    71     1.10329   115.53900    65.13936
   61    53 S   CT   _C8_    50     1.52349   112.05941   -55.23800
   62    61 S   HC   _H25    51     1.09746   108.96478   177.90473
   63    61 S   HC   _H26    52     1.09925   107.70451   -67.65599
   64    56 S   CO4  _C4_    66     1.50628   113.43680   -50.32136
   65    64 S   O    _O16    67     1.22649   123.46215   147.62446
   66    64 S   HC   _H19    68     1.10357   115.62984   -32.24646
   67    41 S   CT   _C15    53     1.57037   114.80282   166.59100
   68    67 S   CT   _C17    54     1.53942   114.30736    58.89581
   69    68 S   HC   _H36    55     1.08549   109.17735   -56.57426
   70    68 S   HC   _H37    56     1.08453   109.23192  -176.58970
   71    68 S   HC   _H38    57     1.08442   109.22308    63.39100
   72    67 S   CT   _C18    58     1.55129   109.96506   -60.56306
   73    72 S   HC   _H39    59     1.08022   108.59568    61.96385
   74    72 S   HC   _H40    60     1.08010   108.59445   -58.07640
   75    72 S   HC   _H41    61     1.08117   108.55529  -178.06528
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   6   5  26   8  22  17   7   6  15   7
   7   2   1   1   8   5   4   7   4   3   1   1  11   4   3   2
   1   1   8   7   3   2   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    56    57    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    67    47    48    56    57    64    65    66    58  
   38    39    40    41    47    56    57    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    61    67    68    72    47    56    57    64    49  
   40    41    42    43    67    56  
   41    42    43    67    56  
   42    43    44    45    46    53    61    62    63    67    68    69    70    71    72    73    74    75    47    48    56    58    49    50    51    52  
   43    44    61    67    68    72    47    49  
   44    45    46    53    54    55    61    67    68    72    47    48    56    57    64    58    59    60    49    50    51    52  
   45    46    53    54    55    61    62    63    67    47    48    56    58    49    50    51    52  
   46    53    54    55    61    47    49  
   53    54    55    61    47    49  
   48    56    57    64    65    66    58    59    60    49    50    51    52    53    67  
   56    57    64    58    59    60    49  
   50    51    52    53    56    58    67  
   51    52  
   52  
    0  
   54    55    61    62    63    67    68    72  
   55    61    62    63    67  
   61    62    63    67  
   57    64    65    66    58    59    60  
   64    65    66    58  
   59    60    64  
   60  
    0  
   62    63    67    68    69    70    71    72    73    74    75  
   63    67    68    72  
   67    68    72  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   66   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    67   268.000  1.529
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    49   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   268.000  1.529
   67    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   47    48   340.000  1.090
   47    56   268.000  1.529
   47    58   317.000  1.522
   56    57   340.000  1.090
   56    64   317.000  1.522
   64    65   570.000  1.229
   64    66   340.000  1.090
   58    59   570.000  1.229
   58    60   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    67    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    58.35000  112.70000
   41    43    47    58.35000  112.70000
   41    43    49    58.35000  112.70000
   41    67    61    58.35000  112.70000
   41    67    68    58.35000  112.70000
   41    67    72    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    53    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    56    58.35000  112.70000
   43    47    58    63.00000  111.10000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    61    58.35000  112.70000
   46    44    45    33.00000  107.80000
   53    44    45    37.50000  110.70000
   53    44    46    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    67    68    58.35000  112.70000
   61    67    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    41    42    37.50000  110.70000
   67    41    43    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    64    63.00000  111.10000
   47    58    59    80.00000  120.40000
   47    58    60    35.00000  115.00000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    64    65    80.00000  120.40000
   56    64    66    35.00000  115.00000
   64    56    57    35.00000  109.50000
   66    64    65    35.00000  123.00000
   58    47    48    35.00000  109.50000
   58    47    56    63.00000  111.10000
   60    58    59    35.00000  123.00000
   49    43    44    58.35000  112.70000
   49    43    47    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    64   0.56750  1.0 1.0
   29    33    56    64  -0.07550 -1.0 2.0
   29    33    56    64   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    67   0.56750  1.0 1.0
   33    38    41    67  -0.07550 -1.0 2.0
   33    38    41    67   0.20000  1.0 3.0
   33    56    64    65   0.30150 -1.0 2.0
   33    56    64    66   0.74550  1.0 1.0
   33    56    64    66  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    64  -0.11250  1.0 3.0
   38    33    56    47   0.56750  1.0 1.0
   38    33    56    47  -0.07550 -1.0 2.0
   38    33    56    47   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    64  -0.95700  1.0 1.0
   38    33    56    64  -0.18200 -1.0 2.0
   38    33    56    64   0.29450  1.0 3.0
   38    41    43    44   0.56750  1.0 1.0
   38    41    43    44  -0.07550 -1.0 2.0
   38    41    43    44   0.20000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    43    49   0.56750  1.0 1.0
   38    41    43    49  -0.07550 -1.0 2.0
   38    41    43    49   0.20000  1.0 3.0
   38    41    67    61   0.56750  1.0 1.0
   38    41    67    61  -0.07550 -1.0 2.0
   38    41    67    61   0.20000  1.0 3.0
   38    41    67    68   0.56750  1.0 1.0
   38    41    67    68  -0.07550 -1.0 2.0
   38    41    67    68   0.20000  1.0 3.0
   38    41    67    72   0.56750  1.0 1.0
   38    41    67    72  -0.07550 -1.0 2.0
   38    41    67    72   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    67   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    67   0.15000  1.0 3.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    46   0.15000  1.0 3.0
   41    43    44    53   0.56750  1.0 1.0
   41    43    44    53  -0.07550 -1.0 2.0
   41    43    44    53   0.20000  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    56   0.56750  1.0 1.0
   41    43    47    56  -0.07550 -1.0 2.0
   41    43    47    56   0.20000  1.0 3.0
   41    43    47    58  -0.95700  1.0 1.0
   41    43    47    58  -0.18200 -1.0 2.0
   41    43    47    58   0.29450  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    51   0.15000  1.0 3.0
   41    43    49    52   0.15000  1.0 3.0
   41    67    68    69   0.15000  1.0 3.0
   41    67    68    70   0.15000  1.0 3.0
   41    67    68    71   0.15000  1.0 3.0
   41    67    72    73   0.15000  1.0 3.0
   41    67    72    74   0.15000  1.0 3.0
   41    67    72    75   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    67    61   0.15000  1.0 3.0
   42    41    67    68   0.15000  1.0 3.0
   42    41    67    72   0.15000  1.0 3.0
   43    41    67    61   0.56750  1.0 1.0
   43    41    67    61  -0.07550 -1.0 2.0
   43    41    67    61   0.20000  1.0 3.0
   43    41    67    68   0.56750  1.0 1.0
   43    41    67    68  -0.07550 -1.0 2.0
   43    41    67    68   0.20000  1.0 3.0
   43    41    67    72   0.56750  1.0 1.0
   43    41    67    72  -0.07550 -1.0 2.0
   43    41    67    72   0.20000  1.0 3.0
   43    44    53    54   0.15000  1.0 3.0
   43    44    53    55   0.15000  1.0 3.0
   43    44   -53    61   0.56750  1.0 1.0
   43    44   -53    61  -0.07550 -1.0 2.0
   43    44   -53    61   0.20000  1.0 3.0
   43    47   -56    33   0.56750  1.0 1.0
   43    47   -56    33  -0.07550 -1.0 2.0
   43    47   -56    33   0.20000  1.0 3.0
   43    47    56    57   0.15000  1.0 3.0
   43    47    56    64  -0.95700  1.0 1.0
   43    47    56    64  -0.18200 -1.0 2.0
   43    47    56    64   0.29450  1.0 3.0
   43    47    58    59   0.30150 -1.0 2.0
   43    47    58    60   0.74550  1.0 1.0
   43    47    58    60  -0.00500 -1.0 2.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    56   0.56750  1.0 1.0
   44    43    47    56  -0.07550 -1.0 2.0
   44    43    47    56   0.20000  1.0 3.0
   44    43    47    58  -0.95700  1.0 1.0
   44    43    47    58  -0.18200 -1.0 2.0
   44    43    47    58   0.29450  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   44    53    61    62   0.15000  1.0 3.0
   44    53    61    63   0.15000  1.0 3.0
   44    53    61    67   0.56750  1.0 1.0
   44    53    61    67  -0.07550 -1.0 2.0
   44    53    61    67   0.20000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    61   0.15000  1.0 3.0
   46    44    53    54   0.15000  1.0 3.0
   46    44    53    55   0.15000  1.0 3.0
   46    44    53    61   0.15000  1.0 3.0
   53    61   -67    41   0.56750  1.0 1.0
   53    61   -67    41  -0.07550 -1.0 2.0
   53    61   -67    41   0.20000  1.0 3.0
   53    61    67    68   0.56750  1.0 1.0
   53    61    67    68  -0.07550 -1.0 2.0
   53    61    67    68   0.20000  1.0 3.0
   53    61    67    72   0.56750  1.0 1.0
   53    61    67    72  -0.07550 -1.0 2.0
   53    61    67    72   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    67   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    67   0.15000  1.0 3.0
   61    67    68    69   0.15000  1.0 3.0
   61    67    68    70   0.15000  1.0 3.0
   61    67    68    71   0.15000  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67    72    74   0.15000  1.0 3.0
   61    67    72    75   0.15000  1.0 3.0
   62    61    67    41   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   63    61    67    41   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    72   0.15000  1.0 3.0
   67    41   -43    44   0.56750  1.0 1.0
   67    41   -43    44  -0.07550 -1.0 2.0
   67    41   -43    44   0.20000  1.0 3.0
   67    41    43    47   0.56750  1.0 1.0
   67    41    43    47  -0.07550 -1.0 2.0
   67    41    43    47   0.20000  1.0 3.0
   67    41    43    49   0.56750  1.0 1.0
   67    41    43    49  -0.07550 -1.0 2.0
   67    41    43    49   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   72    67    68    69   0.15000  1.0 3.0
   72    67    68    70   0.15000  1.0 3.0
   72    67    68    71   0.15000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    53   0.56750  1.0 1.0
   47    43    44    53  -0.07550 -1.0 2.0
   47    43    44    53   0.20000  1.0 3.0
   47    43    49    50   0.15000  1.0 3.0
   47    43    49    51   0.15000  1.0 3.0
   47    43    49    52   0.15000  1.0 3.0
   47    56    64    65   0.30150 -1.0 2.0
   47    56    64    66   0.74550  1.0 1.0
   47    56    64    66  -0.00500 -1.0 2.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    64  -0.11250  1.0 3.0
   48    47    58    59   0.00000  1.0 1.0
   48    47    58    60   0.00000  1.0 1.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   56    47    58    59   0.30150 -1.0 2.0
   56    47    58    60   0.74550  1.0 1.0
   56    47    58    60  -0.00500 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    66   0.00000  1.0 1.0
   58    47    56    33  -0.95700  1.0 1.0
   58    47    56    33  -0.18200 -1.0 2.0
   58    47    56    33   0.29450  1.0 3.0
   58    47    56    57  -0.11250  1.0 3.0
   58    47    56    64   0.11950  1.0 1.0
   58    47    56    64   0.20300 -1.0 2.0
   58    47    56    64  -0.70800  1.0 3.0
   49    43    44    45   0.15000  1.0 3.0
   49    43    44    46   0.15000  1.0 3.0
   49    43    44    53   0.56750  1.0 1.0
   49    43    44    53  -0.07550 -1.0 2.0
   49    43    44    53   0.20000  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    56   0.56750  1.0 1.0
   49    43    47    56  -0.07550 -1.0 2.0
   49    43    47    56   0.20000  1.0 3.0
   49    43    47    58  -0.95700  1.0 1.0
   49    43    47    58  -0.18200 -1.0 2.0
   49    43    47    58   0.29450  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   56    66    64    65  10.50000 -1.0 2.0
   47    60    58    59  10.50000 -1.0 2.0
END
