* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    207     397
    1     0 S   NP   _N1_     1    29.15636    96.80579   -22.96671
    2     1 S   H    _HN1     2     1.02948    74.74843    -1.70571
    3     1 S   H    _H1_     3     1.02832    37.27001   147.78586
    4     1 S   H    _H2_     4     1.02795   101.52088  -107.80597
    5     1 S   CT   _CA1     5     1.50122   141.14758   102.10790
    6     5 S   HC   _HA1     6     1.09568   105.19679    86.88990
    7     5 S   CO3  _C1_     7     1.53781   112.40372   -33.40221
    8     7 S   O2Z  _O11     8     1.26390   115.04573   -43.33811
    9     7 S   O2Z  _O12     9     1.26232   114.98739   135.82395
   10     5 S   CT   _CB1    10     1.53079   107.41722  -155.07166
   11    10 S   HC   HB11    11     1.09835   109.46508   -48.62924
   12    10 S   HC   HB12    12     1.09814   110.40965    67.99576
   13    10 S   CT   _CG1    13     1.53010   112.62484  -169.54953
   14    13 S   HC   HG11    14     1.09592   110.65182   -64.64151
   15    13 S   HC   HG12    15     1.09661   109.79608    54.61444
   16    13 S   C    _CD1    16     1.51830   112.11559   175.16835
   17    16 S   O    _OE1    17     1.22746   123.20925     8.12755
   18    16 S   N    _N2_    18     1.38607   111.73338  -172.22772
   19    18 S   H    _HN2    19     1.01565   119.04294     2.12385
   20    18 S   CT1  _CA2    20     1.46369   123.50809  -179.90721
   21    20 S   HC   _HA2    21     1.09738   109.27242     4.46256
   22    20 S   C    _C2_    22     1.53539   108.95350  -111.20612
   23    22 S   O    _O2_    23     1.23066   122.29356  -149.60477
   24    20 S   CT   _CB2    32     1.53525   111.26234   126.25012
   25    24 S   HC   HB21    33     1.09345   109.12389    58.81009
   26    24 S   HC   HB22    34     1.09498   110.16714   177.46812
   27    22 S   N    _N3_    24     1.38338   113.78346    37.92007
   28    27 S   H    _HN3    25     1.01570   119.54901    -3.41208
   29    24 S   S    _SG2    35     1.83296   110.44780   -62.95906
   30    27 S   CT   _CA3    26     1.45275   123.21267   177.08772
   31    30 S   HC   HA31    27     1.09549   107.51108   -64.61917
   32    30 S   HC   HA32    28     1.09557   107.98491    51.81551
   33    29 S   CT   _C14    36     1.86467   103.01738   165.90200
   34    33 S   OM   _O36    37     1.31744   111.42031    50.93113
   35    30 S   CO3  _C3_    29     1.52953   114.09515   173.82143
   36    35 S   O2Z  _O31    30     1.26374   116.08567    -0.43115
   37    35 S   O2Z  _O32    31     1.26429   114.40906   179.63096
   38    33 S   CM   _C13    38     1.50721   108.01550   -67.03816
   39    38 S   HC   _H8_    39     1.08785   119.36970    61.34201
   40    38 S   CM   _C12    40     1.33944   123.85887  -119.20896
   41    40 S   HC   _H7_    41     1.08845   118.08427  -179.82417
   42    40 S   CT   _C11    42     1.53129   124.70627    -1.36916
   43    42 S   CA   _C9_    43     1.57363   107.25250   126.62670
   44    42 S   CMA  _C18    65     1.58475   113.18171     3.04086
   45    44 S   OM   _O35    66     1.27044   111.40593   177.71090
   46    42 S   CT   _C19    74     1.56050   101.61222  -110.50826
   47    46 S   HC   _H12    75     1.09915   111.11843    61.96015
   48    46 S   HC   _H13    76     1.09749   112.08610   -56.96527
   49    46 S   HC   _H14    77     1.09607   112.79365  -179.03288
   50    43 S   CA   _C8_    44     1.41100   124.41538   117.58984
   51    33 S   CM   _C15    67     1.53165   107.76365   171.16329
   52    50 S   CA   _C7_    45     1.41140   121.28124   177.58313
   53    50 S   OH   _O37    63     1.37021   119.60899    -1.16231
   54    53 S   HO   _H15    64     0.97215   110.24437  -167.04652
   55    51 S   CO4  _C16    68     1.50920   118.26570   -59.97636
   56    55 S   O    _O34    69     1.23057   121.19694   -79.16133
   57    52 S   CA   _C6_    46     1.40012   120.49066     3.27279
   58    52 S   CO4  _C20    57     1.48641   119.53630  -176.89606
   59    58 S   O    _O38    58     1.22849   119.24172   -48.88233
   60    55 S   CT   _C17    70     1.50916   117.58818   100.37847
   61    60 S   HC   _H9_    71     1.09341   111.52059     2.33867
   62    60 S   HC   _H10    72     1.09313   109.18775  -117.76818
   63    60 S   HC   _H11    73     1.09331   109.11388   122.05144
   64    57 S   CA   _C5_    47     1.39989   120.52014    -0.60263
   65    57 S   OH   _O39    55     1.37104   118.12571   177.83012
   66    65 S   HO   _H19    56     0.97035   110.15360   167.54047
   67    58 S   CT   _C21    59     1.50629   118.81328   129.21059
   68    67 S   HC   _H16    60     1.09266   109.66524   105.44106
   69    67 S   HC   _H17    61     1.09340   111.44240   -16.39934
   70    67 S   HC   _H18    62     1.09405   108.78559  -134.67817
   71    43 S   CA   _C10    48     1.42478   119.44055   -62.91889
   72    64 S   CT   _C4_    51     1.50713   121.05598   177.30921
   73    72 S   HC   _H3_    52     1.09402   110.07364    82.21074
   74    72 S   HC   _H4_    53     1.09428   112.08035  -156.48752
   75    72 S   HC   _H5_    54     1.09503   111.09892   -39.14528
   76    71 S   OH   _O33    49     1.37416   118.00153    -0.91941
   77    76 S   HO   _H6_    50     0.97073   109.12482  -145.25310
  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
  12   6   2   1   1   9   4  12   4  15  18  11   3   6   2   1
   1  11   6  14   4   1   5   4  12   7   4   3   2   1   1   9
   3   1   3   2   1   1   6   4   2   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    51    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    55    56    60  
   38    39    40    44    51    55  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    55    46  
   40    41    42    51  
   41    42    43    50    71    44    45    51    46    47    48    49  
   42    43    44    46  
   43    50    52    64    71    76    53    44    45    51    55    46    47    48    49  
   50    52    57    64    71    76    77    72    58    53    54    44    45    51    46    47    48    49  
   45    51    55    56    60    46    47    48    49    50    71  
   51    55    46  
   47    48    49    50    51    71  
   48    49  
   49  
    0  
   52    57    64    71    76    65    58    59    67    53    54  
   55    56    60    61    62    63  
   57    64    71    72    65    66    58    59    67    68    69    70    53    54  
   54    57    58    71  
    0  
   56    60    61    62    63  
   60    61    62    63  
   64    71    76    72    73    74    75    65    66    58    59    67  
   59    67    68    69    70    64    65  
   67    68    69    70  
   61    62    63  
   62    63  
   63  
    0  
   71    76    77    72    73    74    75    65    66  
   66    71    72  
    0  
   68    69    70  
   69    70  
   70  
    0  
   76    77    72    73    74    75  
   73    74    75    76  
   74    75  
   75  
    0  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   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
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    51   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   317.000  1.510
   42    44   270.000  1.512
   42    46   268.000  1.529
   43    50   469.000  1.400
   43    71   469.000  1.400
   50    52   469.000  1.400
   50    53   450.000  1.364
   52    57   469.000  1.400
   52    58   310.000  1.470
   57    64   469.000  1.400
   57    65   450.000  1.364
   64    71   469.000  1.400
   64    72   317.000  1.510
   71    76   450.000  1.364
   76    77   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
   58    59   570.000  1.229
   58    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   53    54   553.000  0.945
   44    45   745.000  1.250
   44    51   465.000  1.376
   51    55   320.000  1.462
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    51    44    70.00000  124.00000
   33    51    55    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    70.00000  112.99600
   40    42    44    70.00000  110.12100
   40    42    46    70.00000  112.02700
   42    40    41    35.00000  117.00000
   42    43    50    70.00000  120.00000
   42    43    71    70.00000  120.00000
   42    44    45    85.00000  112.85300
   42    44    51    65.00000  122.18000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    52    63.00000  120.00000
   43    50    53    70.00000  120.00000
   43    71    64    63.00000  120.00000
   43    71    76    70.00000  120.00000
   50    52    57    63.00000  120.00000
   50    52    58    60.00000  119.52600
   50    53    54    35.00000  113.00000
   52    57    64    63.00000  120.00000
   52    57    65    70.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    67    65.00000  115.47100
   57    64    71    63.00000  120.00000
   57    64    72    70.00000  120.00000
   57    65    66    35.00000  113.00000
   64    71    76    70.00000  120.00000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   71    43    50    63.00000  120.00000
   71    76    77    35.00000  113.00000
   72    64    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    57    64    70.00000  120.00000
   58    52    57    60.00000  119.52600
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   67    58    59    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   53    50    52    70.00000  120.00000
   44    42    43    70.00000  112.99600
   44    51    55    60.00000  125.92000
   51    33    34    85.00000  110.90400
   51    33    38    70.00000  110.12100
   51    44    45    65.00000  137.10300
   51    55    56    80.00000  123.72100
   51    55    60    65.00000  118.62400
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   60    55    56    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   46    42    43    70.00000  112.17500
   46    42    44    70.00000  112.02700
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   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    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    51    44   0.42700  1.0 1.0
   29    33    51    44  -0.70350 -1.0 2.0
   29    33    51    44  -0.43150  1.0 3.0
   29    33    51    55   0.09700  1.0 1.0
   29    33    51    55   0.15600 -1.0 2.0
   29    33    51    55  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    51    55    56  -0.64400  1.0 1.0
   33    51    55    56   0.26850 -1.0 2.0
   33    51    55    60   0.25700  1.0 1.0
   33    51    55    60   0.66200 -1.0 2.0
   33    51    55    60   0.04450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    51    44   0.39000  1.0 1.0
   34    33    51    44  -0.05800 -1.0 2.0
   34    33    51    44  -0.55150  1.0 3.0
   34    33    51    55   0.09700  1.0 1.0
   34    33    51    55   0.15600 -1.0 2.0
   34    33    51    55  -0.50800  1.0 3.0
   38    33    51    44  -0.28300  1.0 1.0
   38    33    51    44   0.26700 -1.0 2.0
   38    33    51    44  -0.63300  1.0 3.0
   38    33    51    55   0.09700  1.0 1.0
   38    33    51    55   0.15600 -1.0 2.0
   38    33    51    55  -0.50800  1.0 3.0
   38    40    42    43   1.44450  1.0 1.0
   38    40    42    43   0.06600 -1.0 2.0
   38    40    42    43   0.29250  1.0 3.0
   38    40   -42    44  -0.28300  1.0 1.0
   38    40   -42    44   0.26700 -1.0 2.0
   38    40   -42    44  -0.63300  1.0 3.0
   38    40    42    46   0.09850  1.0 1.0
   38    40    42    46   0.15250 -1.0 2.0
   38    40    42    46  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    50   0.18050 -1.0 2.0
   40    42    43    71   0.18050 -1.0 2.0
   40    42    44    45   0.09700  1.0 1.0
   40    42    44    45   0.15600 -1.0 2.0
   40    42    44    45  -0.50800  1.0 3.0
   40    42    44    51  -0.28300  1.0 1.0
   40    42    44    51   0.26700 -1.0 2.0
   40    42    44    51  -0.63300  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    49   0.15000  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    43    50    52   3.62500 -1.0 2.0
   42    43    50    53   3.62500 -1.0 2.0
   42    43    71    64   3.62500 -1.0 2.0
   42    43    71    76   3.62500 -1.0 2.0
   42    44   -51    33   7.00000 -1.0 2.0
   42    44    51    55   7.00000 -1.0 2.0
   43    42    44    45   0.09700  1.0 1.0
   43    42    44    45   0.15600 -1.0 2.0
   43    42    44    45  -0.50800  1.0 3.0
   43    42    44    51   1.44450  1.0 1.0
   43    42    44    51   0.06600 -1.0 2.0
   43    42    44    51   0.29250  1.0 3.0
   43    42    46    47   0.43200  1.0 3.0
   43    42    46    48   0.43200  1.0 3.0
   43    42    46    49   0.43200  1.0 3.0
   43    50    52    57   3.62500 -1.0 2.0
   43    50    52    58   3.62500 -1.0 2.0
   43    50    53    54   0.84100 -1.0 2.0
   43    71    76    77   0.84100 -1.0 2.0
   50    43    71    64   3.62500 -1.0 2.0
   50    43    71    76   3.62500 -1.0 2.0
   50    52   -57    64   3.62500 -1.0 2.0
   50    52    57    65   3.62500 -1.0 2.0
   50    52    58    59   1.05000 -1.0 2.0
   50    52    58    67   2.26350  1.0 1.0
   50    52    58    67   0.76750 -1.0 2.0
   50    52    58    67   0.22500  1.0 3.0
   52    50    53    54   0.84100 -1.0 2.0
   52    57    64    71   3.62500 -1.0 2.0
   52    57    64    72   3.62500 -1.0 2.0
   52    57    65    66   0.84100 -1.0 2.0
   52    58    67    68   0.00000  1.0 1.0
   52    58    67    69   0.00000  1.0 1.0
   52    58    67    70   0.00000  1.0 1.0
   57    52    58    59   1.05000 -1.0 2.0
   57    52    58    67   2.26350  1.0 1.0
   57    52    58    67   0.76750 -1.0 2.0
   57    52    58    67   0.22500  1.0 3.0
   57    64   -71    43   3.62500 -1.0 2.0
   57    64    71    76   3.62500 -1.0 2.0
   57    64    72    73   0.00000  1.0 1.0
   57    64    72    74   0.00000  1.0 1.0
   57    64    72    75   0.00000  1.0 1.0
   64    57    65    66   0.84100 -1.0 2.0
   64    71    76    77   0.84100 -1.0 2.0
   71    43   -50    52   3.62500 -1.0 2.0
   71    43    50    53   3.62500 -1.0 2.0
   71    64    72    73   0.00000  1.0 1.0
   71    64    72    74   0.00000  1.0 1.0
   71    64    72    75   0.00000  1.0 1.0
   72    64    71    43   3.62500 -1.0 2.0
   72    64    71    76   3.62500 -1.0 2.0
   65    57    64    71   3.62500 -1.0 2.0
   65    57    64    72   3.62500 -1.0 2.0
   58    52    57    64   3.62500 -1.0 2.0
   58    52    57    65   3.62500 -1.0 2.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    69   0.00000  1.0 1.0
   59    58    67    70   0.00000  1.0 1.0
   53    50    52    57   3.62500 -1.0 2.0
   53    50    52    58   3.62500 -1.0 2.0
   44    42    43    50   0.18050 -1.0 2.0
   44    42    43    71   0.18050 -1.0 2.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    48   0.15000  1.0 3.0
   44    42    46    49   0.15000  1.0 3.0
   44    51    55    56   1.00000 -1.0 2.0
   44    51    55    60  -0.33500  1.0 1.0
   44    51    55    60   1.06600 -1.0 2.0
   44    51    55    60  -0.14000  1.0 3.0
   45    44    51    33   7.00000 -1.0 2.0
   45    44    51    55   7.00000 -1.0 2.0
   51    33    38    39   0.00000  1.0 1.0
   51    33   -38    40  -0.28300  1.0 1.0
   51    33   -38    40   0.26700 -1.0 2.0
   51    33   -38    40  -0.63300  1.0 3.0
   51    55    60    61   0.00000  1.0 1.0
   51    55    60    62   0.00000  1.0 1.0
   51    55    60    63   0.00000  1.0 1.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    63   0.00000  1.0 1.0
   46    42    43    50   0.04150 -1.0 2.0
   46    42    43    71   0.04150 -1.0 2.0
   46    42    44    45   0.09700  1.0 1.0
   46    42    44    45   0.15600 -1.0 2.0
   46    42    44    45  -0.50800  1.0 3.0
   46    42    44    51   0.09850  1.0 1.0
   46    42    44    51   0.15250 -1.0 2.0
   46    42    44    51  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   50    71    43    42   4.00000 -1.0 2.0
   52    53    50    43   4.00000 -1.0 2.0
   57    58    52    50   4.00000 -1.0 2.0
   64    65    57    52   4.00000 -1.0 2.0
   71    72    64    57   4.00000 -1.0 2.0
   64    76    71    43   4.00000 -1.0 2.0
   52    67    58    59  10.50000 -1.0 2.0
   42    45    44    51   1.10000 -1.0 2.0
   33    55    51    44   1.10000 -1.0 2.0
   51    60    55    56  10.50000 -1.0 2.0
END
