* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    133    202     394
    1     0 S   NP   _N1_     1    28.81344    96.65352   -23.93464
    2     1 S   H    _HN1     2     1.02791   109.70730   -97.36743
    3     1 S   H    _H1_     3     1.02950    70.18154     5.72653
    4     1 S   H    _H2_     4     1.02829    38.51450   168.41685
    5     1 S   CT   _CA1     5     1.50111   134.94461   105.19994
    6     5 S   HC   _HA1     6     1.09574   105.19267    95.74924
    7     5 S   CO3  _C1_     7     1.53781   112.42033   -24.49942
    8     7 S   O2Z  _O11     8     1.26373   115.01421   -43.79541
    9     7 S   O2Z  _O12     9     1.26234   114.93847   135.28649
   10     5 S   CT   _CB1    10     1.53071   107.41806  -146.28272
   11    10 S   HC   HB11    11     1.09837   109.37191   -49.63955
   12    10 S   HC   HB12    12     1.09812   110.46230    66.96343
   13    10 S   CT   _CG1    13     1.53006   112.60750  -170.58808
   14    13 S   HC   HG11    14     1.09579   110.67779   -65.90341
   15    13 S   HC   HG12    15     1.09670   109.74946    53.33553
   16    13 S   C    _CD1    16     1.51810   112.11691   173.81388
   17    16 S   O    _OE1    17     1.22747   123.21913     9.08530
   18    16 S   N    _N2_    18     1.38633   111.72614  -170.99887
   19    18 S   H    _HN2    19     1.01596   119.06830     1.47406
   20    18 S   CT1  _CA2    20     1.46286   123.44397   177.35973
   21    20 S   HC   _HA2    21     1.09748   109.15330     6.30372
   22    20 S   C    _C2_    22     1.53680   109.44085  -109.06421
   23    22 S   O    _O2_    23     1.23069   122.15273  -154.72165
   24    20 S   CT   _CB2    32     1.53340   111.22155   128.03592
   25    24 S   HC   HB21    33     1.09533   109.85647    54.94512
   26    24 S   HC   HB22    34     1.09490   110.59517   174.19941
   27    22 S   N    _N3_    24     1.38312   114.00748    33.00056
   28    27 S   H    _HN3    25     1.01537   119.54735    -4.05487
   29    24 S   S    _SG2    35     1.83047   111.04209   -66.36796
   30    27 S   CT   _CA3    26     1.45274   123.28154   176.93778
   31    30 S   HC   HA31    27     1.09550   107.60025   -62.27810
   32    30 S   HC   HA32    28     1.09554   107.89643    54.16348
   33    29 S   CT   _C11    36     1.84008    99.48568   172.30823
   34    33 S   HC   _H3_    37     1.09602   104.06804    44.74263
   35    30 S   CO3  _C3_    29     1.52969   114.04240   176.07080
   36    35 S   O2Z  _O31    30     1.26389   116.08150    -0.94191
   37    35 S   O2Z  _O32    31     1.26430   114.43630   179.08443
   38    33 S   CA   _C7_    38     1.52120   112.10639   161.24327
   39    33 S   CM   _C12    54     1.51327   110.22551   -73.93359
   40    39 S   HC   _H15    55     1.09086   116.30195   -39.12807
   41    38 S   CA   _C8_    39     1.40319   122.25089    54.24610
   42    41 S   HA   _H12    40     1.08726   120.61344    -1.04698
   43    39 S   CMA  _C13    56     1.35576   125.56515   140.22527
   44    43 S   OM   _O35    57     1.26691   124.03581  -179.41852
   45    41 S   CA   _C9_    41     1.39435   120.57690   178.74072
   46    45 S   HA   _H13    42     1.08616   119.29262   179.47140
   47    43 S   OS   _O36    58     1.41236   111.08374     3.13475
   48    45 S   CA   _C10    43     1.39468   119.75150    -0.97719
   49    47 S   CT   _C14    59     1.43650   117.65927  -146.43038
   50    49 S   HC   _H4_    60     1.09666   110.99193   -50.27081
   51    48 S   CA   _C5_    44     1.39854   121.06331    -0.42978
   52    48 S   OH   _O34    52     1.37036   119.81080  -179.82868
   53    52 S   HO   _H14    53     0.97193   108.71585     0.13848
   54    49 S   CO3  _C19    61     1.54110   109.81538    71.87659
   55    54 S   O2Z  _O43    62     1.26564   115.91812    51.32583
   56    54 S   O2Z  _O42    63     1.26490   114.97143  -130.18703
   57    49 S   CT   _C15    64     1.54621   107.92397  -170.13271
   58    57 S   HC   _H5_    65     1.09707   108.77065  -169.85772
   59    38 S   CA   _C6_    45     1.40930   118.97126  -128.60312
   60    59 S   HA   _H11    46     1.08706   118.11330     1.45817
   61    51 S   OS   _O33    47     1.37086   116.28393  -179.07212
   62    57 S   CT   _C16    66     1.54440   112.11028    68.76807
   63    62 S   HC   _H6_    67     1.09712   109.20366   -56.31740
   64    57 S   OH   _O41    77     1.43338   110.61727   -51.55818
   65    64 S   HO   _H18    78     0.97471   107.44465   -45.02774
   66    61 S   CT   _C4_    48     1.42332   116.87388   170.36395
   67    66 S   HC   _H8_    49     1.09427   107.75266  -174.52382
   68    66 S   HC   _H9_    50     1.09476   111.00692    67.82131
   69    66 S   HC   _H10    51     1.09491   111.28862   -56.73185
   70    62 S   CT   _C17    68     1.53734   112.93802  -177.39616
   71    70 S   HC   _H7_    69     1.09675   109.38169    57.36655
   72    62 S   OH   _O40    75     1.43006   108.46285    60.94011
   73    72 S   HO   _H17    76     0.97422   106.63373  -174.84083
   74    70 S   CO3  _C18    70     1.54135   115.99653   177.50762
   75    74 S   O2Z  _O38    71     1.26649   114.23251   176.07105
   76    74 S   O2Z  _O37    72     1.26210   116.49348    -4.16457
   77    70 S   OH   _O39    73     1.43230   109.86703   -60.07224
   78    77 S   HO   _H16    74     0.97397   106.69265  -174.64127
  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   9   7
  12   7   9   3   1   6   2   1  11   6   3   1   4  12   7   3
   1   3   2   1   1   8   6   3   1   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    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    59    60    61    39    40    43  
   40    43    44    47    49    41    59  
   43    44    47  
   42    45    46    48    51    59    60    52  
   45    46    48    59  
   44    47    49    50    54    57  
   47    49  
   46    48    51    59    61    52    53  
   48    51    52  
   49    50    54    55    56    57    58    62    64  
   51    59    60    61    66    52    53  
   50    54    55    56    57    58    62    63    70    72    64    65  
   54    55    56    57    58    62    64  
   59    60    61    66    67    68    69    52    53  
   53    59    61  
    0  
   55    56    57    58    62    64  
   56    57  
   57  
   58    62    63    70    71    74    77    72    73    64    65  
   62    63    70    72    64    65  
   60    61    66  
   61  
   66    67    68    69  
   63    70    71    74    75    76    77    78    72    73    64    65  
   70    71    74    77    72    73    64  
   65    70    72  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    74    75    76    77    78    72    73  
   74    75    76    77    78    72  
   73    74    77  
    0  
   75    76    77    78  
   76    77  
   77  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   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    59   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    51   469.000  1.400
   48    52   450.000  1.364
   51    59   469.000  1.400
   51    61   450.000  1.364
   59    60   367.000  1.080
   61    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   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    50   340.000  1.090
   49    54   317.000  1.522
   49    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    64   320.000  1.410
   62    63   340.000  1.090
   62    70   268.000  1.529
   62    72   320.000  1.410
   70    71   340.000  1.090
   70    74   317.000  1.522
   70    77   320.000  1.410
   74    75   656.000  1.250
   74    76   656.000  1.250
   77    78   553.000  0.945
   72    73   553.000  0.945
   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    59    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    59    51    63.00000  120.00000
   38    59    60    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    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    59    63.00000  120.00000
   48    51    61    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    59    60    35.00000  120.00000
   51    61    66    75.00000  111.00000
   59    38    41    63.00000  120.00000
   61    51    59    70.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    48    51    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    50    35.00000  109.50000
   47    49    54    85.00000  109.63000
   47    49    57    50.00000  109.50000
   49    54    55    70.00000  117.00000
   49    54    56    70.00000  117.00000
   49    57    58    37.50000  110.70000
   49    57    62    58.35000  112.70000
   49    57    64    50.00000  109.50000
   54    49    50    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    49    50    37.50000  110.70000
   57    49    54    70.00000  109.69300
   57    62    63    37.50000  110.70000
   57    62    70    58.35000  112.70000
   57    62    72    50.00000  109.50000
   57    64    65    55.00000  108.50000
   62    57    58    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    74    70.00000  109.69300
   62    70    77    50.00000  109.50000
   62    72    73    55.00000  108.50000
   70    62    63    37.50000  110.70000
   70    74    75    70.00000  117.00000
   70    74    76    70.00000  117.00000
   70    77    78    55.00000  108.50000
   74    70    71    35.00000  109.50000
   76    74    75    80.00000  126.00000
   77    70    71    35.00000  109.50000
   77    70    74    95.00000  109.52300
   72    62    63    35.00000  109.50000
   72    62    70    50.00000  109.50000
   64    57    58    35.00000  109.50000
   64    57    62    50.00000  109.50000
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    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   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    59    51   3.62500 -1.0 2.0
   33    38    59    60   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    59   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    59    51   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   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    51    59   3.62500 -1.0 2.0
   45    48    51    61   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -59    38   3.62500 -1.0 2.0
   48    51    59    60   3.62500 -1.0 2.0
   48    51    61    66   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    61    66    67   0.08050  1.0 3.0
   51    61    66    68   0.08050  1.0 3.0
   51    61    66    69   0.08050  1.0 3.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    51    61    66   1.63200 -1.0 2.0
   61    51    59    38   3.62500 -1.0 2.0
   61    51    59    60   3.62500 -1.0 2.0
   52    48    51    59   3.62500 -1.0 2.0
   52    48    51    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   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    50   0.08050  1.0 3.0
   43    47    49    54  -0.48150  1.0 1.0
   43    47    49    54   0.09250 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    57  -0.46850  1.0 1.0
   43    47    49    57   0.09300 -1.0 2.0
   43    47    49    57  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    56   0.30150 -1.0 2.0
   47    49    57    58   0.23400  1.0 3.0
   47    49    57    62   0.62750  1.0 1.0
   47    49    57    62  -0.30950 -1.0 2.0
   47    49    57    62   0.27300  1.0 3.0
   47    49    57    64   3.69350  1.0 1.0
   47    49    57    64  -1.82950 -1.0 2.0
   49    57    62    63   0.15000  1.0 3.0
   49    57    62    70   0.56750  1.0 1.0
   49    57    62    70  -0.07550 -1.0 2.0
   49    57    62    70   0.20000  1.0 3.0
   49    57    62    72   0.86500  1.0 1.0
   49    57    62    72  -0.17500 -1.0 2.0
   49    57    62    72   0.20800  1.0 3.0
   49    57    64    65  -0.11600  1.0 1.0
   49    57    64    65  -0.09450 -1.0 2.0
   49    57    64    65   0.21250  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    62   0.15000  1.0 3.0
   50    49    57    64   0.23400  1.0 3.0
   54    49    57    58  -0.11250  1.0 3.0
   54    49    57    62  -1.63150  1.0 1.0
   54    49    57    62  -0.43550 -1.0 2.0
   54    49    57    62   0.24500  1.0 3.0
   54    49    57    64  -5.33000  1.0 1.0
   54    49    57    64  -0.54250 -1.0 2.0
   54    49    57    64  -0.07300  1.0 3.0
   57    49    54    55   0.41150 -1.0 2.0
   57    49    54    56   0.41150 -1.0 2.0
   57    62    70    71   0.15000  1.0 3.0
   57    62    70    74  -1.63150  1.0 1.0
   57    62    70    74  -0.43550 -1.0 2.0
   57    62    70    74   0.24500  1.0 3.0
   57    62    70    77   0.86500  1.0 1.0
   57    62    70    77  -0.17500 -1.0 2.0
   57    62    70    77   0.20800  1.0 3.0
   57    62    72    73  -0.11600  1.0 1.0
   57    62    72    73  -0.09450 -1.0 2.0
   57    62    72    73   0.21250  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    70   0.15000  1.0 3.0
   58    57    62    72   0.23400  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   62    57    64    65  -0.11600  1.0 1.0
   62    57    64    65  -0.09450 -1.0 2.0
   62    57    64    65   0.21250  1.0 3.0
   62    70    74    75   0.41150 -1.0 2.0
   62    70    74    76   0.41150 -1.0 2.0
   62    70    77    78  -0.11600  1.0 1.0
   62    70    77    78  -0.09450 -1.0 2.0
   62    70    77    78   0.21250  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    74  -0.11250  1.0 3.0
   63    62    70    77   0.23400  1.0 3.0
   63    62    72    73   0.19450  1.0 3.0
   70    62    72    73  -0.11600  1.0 1.0
   70    62    72    73  -0.09450 -1.0 2.0
   70    62    72    73   0.21250  1.0 3.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   71    70    77    78   0.19450  1.0 3.0
   74    70    77    78   0.91850  1.0 1.0
   74    70    77    78   0.57950  1.0 3.0
   77    70    74    75   0.30150 -1.0 2.0
   77    70    74    76   0.30150 -1.0 2.0
   72    62    70    71   0.23400  1.0 3.0
   72    62    70    74  -5.33000  1.0 1.0
   72    62    70    74  -0.54250 -1.0 2.0
   72    62    70    74  -0.07300  1.0 3.0
   72    62    70    77   3.75450  1.0 1.0
   64    57    62    63   0.23400  1.0 3.0
   64    57    62    70   0.86500  1.0 1.0
   64    57    62    70  -0.17500 -1.0 2.0
   64    57    62    70   0.20800  1.0 3.0
   64    57    62    72   3.75450  1.0 1.0
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
   41    59    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
   51    52    48    45   4.00000 -1.0 2.0
   59    61    51    48   4.00000 -1.0 2.0
   51    60    59    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
   55    49    54    56  10.50000 -1.0 2.0
   75    70    74    76  10.50000 -1.0 2.0
END
