* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    218     411
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02066    33.45024   179.64337
    3     1 S   H    _H1_     3     1.02104    94.11127   -62.11164
    4     1 S   H    _H2_     4     1.02098    86.17428    46.40227
    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   _C19    36     1.83125    97.86996   161.85576
   34    33 S   HC   _H3_    37     1.09643   104.47698   -37.11568
   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   CA   _C7_    38     1.51726   112.03362    79.97432
   39    33 S   CM   _C10    51     1.51519   108.75624  -154.20705
   40    39 S   HC   _H29    52     1.09164   115.37369   -66.34352
   41    38 S   CA   _C4_    39     1.39471   120.02248  -114.73525
   42    41 S   HA   _H26    40     1.08727   120.51686     0.05234
   43    39 S   CMA  _C11    53     1.35664   126.96583   113.75722
   44    43 S   OM   _O17    54     1.26872   125.71809    -0.03956
   45    41 S   CA   _C5_    41     1.39522   120.01093   179.85598
   46    45 S   HA   _H27    42     1.08655   119.59663   180.00000
   47    43 S   OS   _O24    55     1.42632   109.39341   179.64064
   48    45 S   CA   _C8_    43     1.39458   119.99023     0.07402
   49    47 S   CT   _C18    56     1.42268   115.77555   119.96651
   50    48 S   CA   _C9_    44     1.39471   119.99881    -0.07662
   51    48 S   OH   _O19    49     1.36218   119.40425  -179.97202
   52    51 S   HO   _H39    50     0.96993   110.22960    -0.10087
   53    49 S   CT   _C14    57     1.52916   110.46566   -58.88193
   54    53 S   HC   _H32    58     1.09935   110.48975   168.52242
   55    53 S   HC   _H33    59     1.09830   110.50543    52.10708
   56    49 S   C    _C12    74     1.50122   104.63255    60.03183
   57    56 S   O    _O18    75     1.22192   125.05182  -122.61050
   58    38 S   CA   _C6_    45     1.39545   119.98685    65.17586
   59    58 S   HA   _H28    46     1.08724   120.13865     0.06561
   60    50 S   OH   _O20    47     1.36289   120.51701   180.00000
   61    60 S   HO   _H40    48     0.97032   110.17870  -179.90935
   62    53 S   CT   _C16    60     1.53030   112.08198   -69.08626
   63    62 S   HC   _H36    61     1.09657   110.24023    67.09048
   64    56 S   OH   _O21    76     1.35571   110.70464    57.39878
   65    64 S   HO   _H41    77     0.98055   111.94287   179.89347
   66    62 S   CT   _C13    62     1.52991   111.22167   -54.94776
   67    66 S   HC   _H30    63     1.09812   109.46471   -67.09972
   68    66 S   HC   _H31    64     1.09721   108.64956   177.34377
   69    62 S   OH   _O22    72     1.42437   109.52452  -174.81866
   70    69 S   HO   _H42    73     0.96991   106.57760   -58.42180
   71    66 S   CT   _C17    65     1.52643   112.18173    55.15440
   72    71 S   HC   _H37    66     1.09596   109.22551  -174.71331
   73    49 S   CT   _C15    67     1.53531   109.39626   177.65807
   74    73 S   HC   _H34    68     1.09814   109.50884   -50.10195
   75    73 S   HC   _H35    69     1.09771   109.41659  -167.29845
   76    71 S   OH   _O23    70     1.42488   108.71625    68.69487
   77    76 S   HO   _H43    71     0.96931   106.53857    60.03895
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  12   7
  17   6   3   1  16   7   6   8   3   3   1   1   1  10   6   2
   1  11   6   5   2   1   6   5   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    58    59    39    40    43    44    47  
   38    41    58    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    58    59    60    39    40    43  
   40    43    44    47    49    41    58  
   43    44    47  
   42    45    46    48    50    58    59    51  
   45    46    48    58  
   44    47    49    53    73    56  
   47    49  
   46    48    50    58    60    51    52  
   48    50    51  
   49    53    54    55    62    71    73    74    75    56    57    64  
   50    58    59    60    61    51    52  
   53    54    55    62    63    66    71    72    73    74    75    76    69    56    57    64    65  
   58    59    60    61    51    52  
   52    58    60  
    0  
   54    55    62    63    66    67    68    71    73    74    75    69    70    56    57    64  
   55    62    63    66    73    69    56  
   62    63    66    73    69    56  
   57    64    65    62    71    73    74    75  
   64    65    73  
   59    60    61  
   60  
   61  
    0  
   63    66    67    68    71    72    73    76    69    70  
   66    67    68    71    69    70  
   65    73  
    0  
   67    68    71    72    73    74    75    76    77    69    70  
   68    71    72    73    76    69  
   71    72    73    76    69  
   70    71  
    0  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75    76    77  
   75    76  
   76  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    58   469.000  1.400
   50    60   450.000  1.364
   58    59   367.000  1.080
   60    61   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    53   268.000  1.529
   49    73   268.000  1.529
   49    56   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   76    77   553.000  0.945
   69    70   553.000  0.945
   56    57   570.000  1.229
   56    64   450.000  1.364
   64    65   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    58    50    63.00000  120.00000
   38    58    59    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    51    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    58    63.00000  120.00000
   48    50    60    70.00000  120.00000
   48    51    52    35.00000  113.00000
   50    58    59    35.00000  120.00000
   50    60    61    35.00000  113.00000
   58    38    41    63.00000  120.00000
   60    50    58    70.00000  120.00000
   51    48    50    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    53    50.00000  109.50000
   47    49    73    50.00000  109.50000
   47    49    56    90.00000  108.55600
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   49    73    71    58.35000  112.70000
   49    73    74    37.50000  110.70000
   49    73    75    37.50000  110.70000
   49    56    57    80.00000  120.40000
   49    56    64    70.00000  108.00000
   53    62    63    37.50000  110.70000
   53    62    66    58.35000  112.70000
   53    62    69    50.00000  109.50000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    71    58.35000  112.70000
   62    69    70    55.00000  108.50000
   66    62    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    58.35000  112.70000
   66    71    76    50.00000  109.50000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    76    77    55.00000  108.50000
   73    49    53    58.35000  112.70000
   73    71    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    50.00000  109.50000
   69    62    63    35.00000  109.50000
   69    62    66    50.00000  109.50000
   56    49    53    63.00000  111.10000
   56    49    73    63.00000  111.10000
   56    64    65    35.00000  113.00000
   64    56    57   100.00000  123.32000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    58    50   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    58    50   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    51   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    58   3.62500 -1.0 2.0
   45    48    50    60   3.62500 -1.0 2.0
   45    48    51    52   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    50   -58    38   3.62500 -1.0 2.0
   48    50    58    59   3.62500 -1.0 2.0
   48    50    60    61   0.84100 -1.0 2.0
   50    48    51    52   0.84100 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   58    50    60    61   0.84100 -1.0 2.0
   60    50    58    38   3.62500 -1.0 2.0
   60    50    58    59   3.62500 -1.0 2.0
   51    48    50    58   3.62500 -1.0 2.0
   51    48    50    60   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    58   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    53  -0.46850  1.0 1.0
   43    47    49    53   0.09300 -1.0 2.0
   43    47    49    53  -0.12850  1.0 3.0
   43    47    49    73  -0.46850  1.0 1.0
   43    47    49    73   0.09300 -1.0 2.0
   43    47    49    73  -0.12850  1.0 3.0
   43    47    49    56  -0.48150  1.0 1.0
   43    47    49    56   0.09250 -1.0 2.0
   43    47    49    56  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    53    54   0.23400  1.0 3.0
   47    49    53    55   0.23400  1.0 3.0
   47    49    53    62   0.62750  1.0 1.0
   47    49    53    62  -0.30950 -1.0 2.0
   47    49    53    62   0.27300  1.0 3.0
   47    49    73    71   0.62750  1.0 1.0
   47    49    73    71  -0.30950 -1.0 2.0
   47    49    73    71   0.27300  1.0 3.0
   47    49    73    74   0.23400  1.0 3.0
   47    49    73    75   0.23400  1.0 3.0
   47    49    56    57   0.30150 -1.0 2.0
   47    49    56    64   0.40000  1.0 3.0
   49    53    62    63   0.15000  1.0 3.0
   49    53    62    66   0.56750  1.0 1.0
   49    53    62    66  -0.07550 -1.0 2.0
   49    53    62    66   0.20000  1.0 3.0
   49    53    62    69   0.86500  1.0 1.0
   49    53    62    69  -0.17500 -1.0 2.0
   49    53    62    69   0.20800  1.0 3.0
   49    56    64    65   1.50000  1.0 1.0
   49    56    64    65   2.45000 -1.0 2.0
   53    49    73    71   0.56750  1.0 1.0
   53    49    73    71  -0.07550 -1.0 2.0
   53    49    73    71   0.20000  1.0 3.0
   53    49    73    74   0.15000  1.0 3.0
   53    49    73    75   0.15000  1.0 3.0
   53    49    56    57   0.30150 -1.0 2.0
   53    49    56    64   0.50000  1.0 1.0
   53    49    56    64   0.27300 -1.0 2.0
   53    49    56    64   0.22500  1.0 3.0
   53    62    66    67   0.15000  1.0 3.0
   53    62    66    68   0.15000  1.0 3.0
   53    62   -66    71   0.56750  1.0 1.0
   53    62   -66    71  -0.07550 -1.0 2.0
   53    62   -66    71   0.20000  1.0 3.0
   53    62    69    70  -0.11600  1.0 1.0
   53    62    69    70  -0.09450 -1.0 2.0
   53    62    69    70   0.21250  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    66   0.15000  1.0 3.0
   54    53    62    69   0.23400  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    66   0.15000  1.0 3.0
   55    53    62    69   0.23400  1.0 3.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.56750  1.0 1.0
   62    66    71    73  -0.07550 -1.0 2.0
   62    66    71    73   0.20000  1.0 3.0
   62    66    71    76   0.86500  1.0 1.0
   62    66    71    76  -0.17500 -1.0 2.0
   62    66    71    76   0.20800  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   66    62    69    70  -0.11600  1.0 1.0
   66    62    69    70  -0.09450 -1.0 2.0
   66    62    69    70   0.21250  1.0 3.0
   66    71   -73    49   0.56750  1.0 1.0
   66    71   -73    49  -0.07550 -1.0 2.0
   66    71   -73    49   0.20000  1.0 3.0
   66    71    73    74   0.15000  1.0 3.0
   66    71    73    75   0.15000  1.0 3.0
   66    71    76    77  -0.11600  1.0 1.0
   66    71    76    77  -0.09450 -1.0 2.0
   66    71    76    77   0.21250  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    76   0.23400  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    76   0.23400  1.0 3.0
   72    71    73    49   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    76    77   0.19450  1.0 3.0
   73    49    53    54   0.15000  1.0 3.0
   73    49    53    55   0.15000  1.0 3.0
   73    49   -53    62   0.56750  1.0 1.0
   73    49   -53    62  -0.07550 -1.0 2.0
   73    49   -53    62   0.20000  1.0 3.0
   73    49    56    57   0.30150 -1.0 2.0
   73    49    56    64   0.50000  1.0 1.0
   73    49    56    64   0.27300 -1.0 2.0
   73    49    56    64   0.22500  1.0 3.0
   73    71    76    77  -0.11600  1.0 1.0
   73    71    76    77  -0.09450 -1.0 2.0
   73    71    76    77   0.21250  1.0 3.0
   76    71    73    49   0.86500  1.0 1.0
   76    71    73    49  -0.17500 -1.0 2.0
   76    71    73    49   0.20800  1.0 3.0
   76    71    73    74   0.23400  1.0 3.0
   76    71    73    75   0.23400  1.0 3.0
   69    62    66    67   0.23400  1.0 3.0
   69    62    66    68   0.23400  1.0 3.0
   69    62    66    71   0.86500  1.0 1.0
   69    62    66    71  -0.17500 -1.0 2.0
   69    62    66    71   0.20800  1.0 3.0
   56    49    53    54  -0.11250  1.0 3.0
   56    49    53    55  -0.11250  1.0 3.0
   56    49    53    62  -0.95700  1.0 1.0
   56    49    53    62  -0.18200 -1.0 2.0
   56    49    53    62   0.29450  1.0 3.0
   56    49    73    71  -0.95700  1.0 1.0
   56    49    73    71  -0.18200 -1.0 2.0
   56    49    73    71   0.29450  1.0 3.0
   56    49    73    74  -0.11250  1.0 3.0
   56    49    73    75  -0.11250  1.0 3.0
   57    56    64    65   0.92200  1.0 1.0
   57    56    64    65   3.74100 -1.0 2.0
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
   41    58    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    51    48    45   4.00000 -1.0 2.0
   58    60    50    48   4.00000 -1.0 2.0
   50    59    58    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   49    64    56    57  10.50000 -1.0 2.0
END
