* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    154    248     463
    1     0 S   NP   _N1_     1    29.40333    99.31527   -23.85769
    2     1 S   H    _HN1     2     1.02816   109.38947   -80.58079
    3     1 S   H    _H1_     3     1.02934    45.85580    16.59501
    4     1 S   H    _H2_     4     1.02823    63.00347   178.69524
    5     1 S   CT   _CA1     5     1.50091   137.53518    86.85192
    6     5 S   HC   _HA1     6     1.09595   105.02511   131.44026
    7     5 S   CO3  _C1_     7     1.53814   113.12056    11.72703
    8     7 S   O2Z  _O11     8     1.26359   115.03696   -32.21045
    9     7 S   O2Z  _O12     9     1.26337   115.06736   147.03113
   10     5 S   CT   _CB1    10     1.53144   107.39499  -110.78314
   11    10 S   HC   HB11    11     1.09828   109.10819   -51.25082
   12    10 S   HC   HB12    12     1.09794   110.56773    65.41953
   13    10 S   CT   _CG1    13     1.52865   112.39670  -172.33732
   14    13 S   HC   HG11    14     1.09543   110.50189   -75.44252
   15    13 S   HC   HG12    15     1.09670   109.37772    43.70475
   16    13 S   C    _CD1    16     1.51614   112.47833   164.32031
   17    16 S   O    _OE1    17     1.22718   123.17129    21.78739
   18    16 S   N    _N2_    18     1.38614   111.58570  -157.99658
   19    18 S   H    _HN2    19     1.01697   118.96859    -1.39437
   20    18 S   CT1  _CA2    20     1.46185   123.75715   174.08242
   21    20 S   HC   _HA2    21     1.09720   109.22871    14.30917
   22    20 S   C    _C2_    22     1.53913   109.57976  -101.55745
   23    22 S   O    _O2_    23     1.23132   121.98422  -154.98404
   24    20 S   CT   _CB2    32     1.53207   110.83189   136.55680
   25    24 S   HC   HB21    33     1.09484   109.42609    54.40966
   26    24 S   HC   HB22    34     1.09492   111.05871   172.93175
   27    22 S   N    _N3_    24     1.38215   114.30238    32.33281
   28    27 S   H    _HN3    25     1.01460   119.63207    -3.52737
   29    24 S   S    _SG2    35     1.82803   111.48340   -67.80519
   30    27 S   CT   _CA3    26     1.45255   123.54423   177.43677
   31    30 S   HC   HA31    27     1.09541   107.56334   -64.47441
   32    30 S   HC   HA32    28     1.09550   107.98836    52.04539
   33    29 S   CT   _C10    36     1.84233    99.52518   147.89109
   34    33 S   HC   _H3_    37     1.09583   106.34910    29.14272
   35    30 S   CO3  _C3_    29     1.53038   113.88496   174.02063
   36    35 S   O2Z  _O31    30     1.26420   116.08834     0.64285
   37    35 S   O2Z  _O32    31     1.26423   114.42209  -179.31557
   38    33 S   CA   _C9_    38     1.52245   111.14862   145.83522
   39    33 S   CM   _C11    50     1.51440   108.82334   -90.10360
   40    39 S   HC   _H13    51     1.09136   114.85993   -65.12154
   41    38 S   CA   _C4_    39     1.40540   119.43712  -120.17525
   42    41 S   HA   _H9_    40     1.08766   120.36586     0.20367
   43    39 S   CMA  _C12    52     1.35710   125.95544   115.73580
   44    43 S   OM   _O41    53     1.26507   129.78645    -1.13866
   45    41 S   CA   _C5_    41     1.39619   120.85393  -179.64337
   46    45 S   HA   _H10    42     1.08617   119.82220  -179.96574
   47    43 S   CA   _C13    54     1.50120   110.27571   177.99162
   48    45 S   CA   _C6_    43     1.39059   119.64794     0.14537
   49    47 S   CA   _C14    55     1.40617   120.91703   -92.25640
   50    48 S   CA   _C7_    44     1.39165   120.69475     0.07402
   51    50 S   HA   _H11    45     1.08593   121.02464   179.85735
   52    48 S   OH   _O42    48     1.36620   118.22724  -179.97202
   53    52 S   HO   _H24    49     0.97234   108.51469  -179.86730
   54    49 S   CA   _C15    56     1.39866   121.18540   178.80597
   55    54 S   HA   _H14    57     1.08738   120.18105  -179.94065
   56    49 S   OH   _O40    87     1.37172   119.61423    -0.61198
   57    56 S   HO   _H23    88     0.97135   108.94467  -179.03450
   58    38 S   CA   _C8_    46     1.40660   122.18558    60.55920
   59    58 S   HA   _H12    47     1.08751   120.48438    -0.36904
   60    54 S   CA   _C16    58     1.39746   120.38188    -0.82945
   61    60 S   CA   _C17    59     1.39550   119.30019     1.07082
   62    61 S   HA   _H15    60     1.08489   121.32029   179.51624
   63    60 S   OS   _O34    64     1.37019   114.85516  -179.32681
   64    47 S   CA   _C18    61     1.40580   121.46412    86.46475
   65    63 S   CO   _C19    65     1.43678   117.63270   167.98294
   66    65 S   HC   _H4_    66     1.09845   109.20581    57.56244
   67    64 S   OH   _O33    62     1.37223   119.70225     1.52187
   68    67 S   HO   _H16    63     0.97318   108.42677  -179.72446
   69    65 S   CT   _C20    67     1.53579   107.15499   175.32974
   70    69 S   HC   _H5_    68     1.09680   110.02681    53.38233
   71    69 S   CT   _C21    69     1.53170   111.08786   175.34478
   72    71 S   HC   _H6_    70     1.09665   110.28506    72.96947
   73    69 S   OH   _O39    85     1.42965   109.97452   -63.40224
   74    73 S   HO   _H22    86     0.97233   108.21372   -62.07575
   75    71 S   CT   _C22    71     1.53212   111.29863   -49.72998
   76    75 S   HC   _H7_    72     1.09644   108.59179   -71.82723
   77    71 S   OH   _O38    83     1.42962   109.56912  -171.16598
   78    77 S   HO   _H21    84     0.97245   108.08036    61.85770
   79    75 S   CT   _C23    73     1.53389   110.59834    49.77192
   80    79 S   HC   _H8_    74     1.09806   110.29309    64.46241
   81    75 S   OH   _O37    81     1.42629   109.71256   171.55064
   82    81 S   HO   _H20    82     0.97239   108.16744   -59.91827
   83    65 S   OS   _O35    75     1.42964   111.02457   -65.18726
   84    79 S   CT   _C24    76     1.53115   112.88303  -175.68180
   85    84 S   HC   _H17    77     1.09434   110.88388   -65.79950
   86    84 S   HC   _H18    78     1.09482   110.18632   173.19629
   87    84 S   OH   _O36    79     1.42366   110.70636    54.43564
   88    87 S   HO   _H19    80     0.97238   106.87034   178.68240
  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   8   3   8   4   8   3   7   3  11   6
   9   5   3   2   1   9   4   3   1   1   1   9   6   3   9   2
  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9   6
   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    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    51    58    59    39    40    43  
   40    43    44    47    49    64    41    58  
   43    44    47  
   42    45    46    48    50    58    59    52  
   45    46    48    58  
   44    47    49    54    61    64    67    56  
   47    49    64  
   46    48    50    51    58    52    53  
   48    50    52  
   49    54    55    60    61    62    64    67    68    56    57  
   50    51    58    59    52    53  
   54    55    60    61    64    67    63    56    57  
   51    58    59    52    53  
   58    59    52  
   53    58  
    0  
   55    60    61    62    64    63    65    56    57  
   60    61    63    56  
   57    60    64  
    0  
   59  
    0  
   61    62    64    67    63    65    66    69    83  
   62    64    67    68    63    65  
   64    67    63  
   65    66    69    70    71    79    83    73    64  
   67    68  
   66    69    70    71    72    75    79    80    83    84    77    73    74  
   69    70    71    79    83    73  
   68  
    0  
   70    71    72    75    76    79    83    81    77    78    73    74  
   71    72    75    83    77    73    74  
   72    75    76    79    80    83    84    81    82    77    78    73    74  
   75    76    79    81    77    78    73  
   74    75    77    83  
    0  
   76    79    80    83    84    85    86    87    81    82    77    78  
   79    80    83    84    81    82    77  
   78    79    81  
    0  
   80    83    84    85    86    87    88    81    82  
   83    84    85    86    87    81  
   82    83    84  
    0  
   84    85    86    87  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    52   450.000  1.364
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   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   320.000  1.460
   47    49   469.000  1.400
   47    64   469.000  1.400
   49    54   469.000  1.400
   49    56   450.000  1.364
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    67   450.000  1.364
   67    68   553.000  0.945
   63    65   320.000  1.380
   65    66   340.000  1.090
   65    69   250.000  1.527
   65    83   320.000  1.380
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   320.000  1.410
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   320.000  1.410
   79    80   340.000  1.090
   79    83   320.000  1.410
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.410
   87    88   553.000  0.945
   81    82   553.000  0.945
   77    78   553.000  0.945
   73    74   553.000  0.945
   56    57   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    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    58    63.00000  120.00000
   48    52    53    35.00000  113.00000
   50    58    59    35.00000  120.00000
   58    38    41    63.00000  120.00000
   58    50    51    35.00000  120.00000
   52    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    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    64    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    54    63.00000  120.00000
   47    49    56    70.00000  120.00000
   47    64    61    63.00000  120.00000
   47    64    67    70.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    60    63.00000  120.00000
   49    56    57    35.00000  113.00000
   54    60    61    63.00000  120.00000
   54    60    63    70.00000  120.00000
   60    54    55    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    64    63.00000  120.00000
   60    63    65   100.00000  112.36700
   61    64    67    70.00000  120.00000
   64    47    49    63.00000  120.00000
   64    61    62    35.00000  120.00000
   64    67    68    35.00000  113.00000
   63    60    61    70.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    69    90.00000  108.56700
   63    65    83    92.60000  111.55000
   65    69    70    45.00000  108.72000
   65    69    71    75.00000  109.43000
   65    69    73    90.00000  111.58700
   65    83    79    60.00000  109.50000
   69    65    66    45.00000  112.01100
   69    71    72    37.50000  110.70000
   69    71    75    58.35000  112.70000
   69    71    77    50.00000  109.50000
   69    73    74    55.00000  108.50000
   71    69    70    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    58.35000  112.70000
   71    75    81    50.00000  109.50000
   71    77    78    55.00000  108.50000
   75    71    72    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    83    50.00000  109.50000
   75    79    84    58.35000  112.70000
   75    81    82    55.00000  108.50000
   79    75    76    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    50.00000  109.50000
   83    65    66    35.00000  109.50000
   83    65    69    90.00000  108.56700
   83    79    80    35.00000  109.50000
   84    79    80    37.50000  110.70000
   84    79    83    50.00000  109.50000
   84    87    88    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   81    75    76    35.00000  109.50000
   81    75    79    50.00000  109.50000
   77    71    72    35.00000  109.50000
   77    71    75    50.00000  109.50000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   56    49    54    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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    50    51   3.62500 -1.0 2.0
   45    48    50    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    52   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
   50    48    52    53   0.84100 -1.0 2.0
   51    50    58    38   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    58   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   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    64   0.15800  1.0 1.0
   39    43    47    64   1.85350 -1.0 2.0
   39    43    47    64  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    49    56   3.62500 -1.0 2.0
   43    47    64    61   3.62500 -1.0 2.0
   43    47    64    67   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    64  -0.01750  1.0 1.0
   44    43    47    64  -0.32000 -1.0 2.0
   44    43    47    64   0.00600  1.0 3.0
   47    49    54    55   3.62500 -1.0 2.0
   47    49    54    60   3.62500 -1.0 2.0
   47    49    56    57   0.84100 -1.0 2.0
   47    64    67    68   0.84100 -1.0 2.0
   49    47    64    61   3.62500 -1.0 2.0
   49    47    64    67   3.62500 -1.0 2.0
   49    54   -60    61   3.62500 -1.0 2.0
   49    54    60    63   3.62500 -1.0 2.0
   54    49    56    57   0.84100 -1.0 2.0
   54    60    61    62   3.62500 -1.0 2.0
   54    60    61    64   3.62500 -1.0 2.0
   54    60    63    65   1.63200 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    63   3.62500 -1.0 2.0
   60    61   -64    47   3.62500 -1.0 2.0
   60    61    64    67   3.62500 -1.0 2.0
   60    63    65    66   0.08050  1.0 3.0
   60    63    65    69  -0.32850  1.0 1.0
   60    63    65    69  -0.35800 -1.0 2.0
   60    63    65    69   0.33950  1.0 3.0
   60    63    65    83  -0.25600  1.0 1.0
   60    63    65    83  -0.40050 -1.0 2.0
   60    63    65    83   0.34700  1.0 3.0
   61    60    63    65   1.63200 -1.0 2.0
   61    64    67    68   0.84100 -1.0 2.0
   62    61    64    47   3.62500 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   64    47   -49    54   3.62500 -1.0 2.0
   64    47    49    56   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    64   3.62500 -1.0 2.0
   63    65    69    70   0.23400  1.0 3.0
   63    65    69    71   0.62750  1.0 1.0
   63    65    69    71  -0.30950 -1.0 2.0
   63    65    69    71   0.27300  1.0 3.0
   63    65    69    73   3.69350  1.0 1.0
   63    65    69    73  -1.82950 -1.0 2.0
   63    65    83    79  -0.81800  1.0 1.0
   65    69    71    72   0.15000  1.0 3.0
   65    69    71    75   3.97050  1.0 1.0
   65    69    71    77   0.86500  1.0 1.0
   65    69    71    77  -0.17500 -1.0 2.0
   65    69    71    77   0.20800  1.0 3.0
   65    69    73    74  -0.11600  1.0 1.0
   65    69    73    74  -0.09450 -1.0 2.0
   65    69    73    74   0.21250  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   66    65    83    79   0.37050  1.0 3.0
   69    65    83    79   0.06250  1.0 1.0
   69    65    83    79  -0.01100 -1.0 2.0
   69    65    83    79   0.28050  1.0 3.0
   69    71    75    76   0.15000  1.0 3.0
   69    71   -75    79   0.56750  1.0 1.0
   69    71   -75    79  -0.07550 -1.0 2.0
   69    71   -75    79   0.20000  1.0 3.0
   69    71    75    81   0.86500  1.0 1.0
   69    71    75    81  -0.17500 -1.0 2.0
   69    71    75    81   0.20800  1.0 3.0
   69    71    77    78  -0.11600  1.0 1.0
   69    71    77    78  -0.09450 -1.0 2.0
   69    71    77    78   0.21250  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    75   0.15000  1.0 3.0
   70    69    71    77   0.23400  1.0 3.0
   70    69    73    74   0.19450  1.0 3.0
   71    69    73    74  -0.11600  1.0 1.0
   71    69    73    74  -0.09450 -1.0 2.0
   71    69    73    74   0.21250  1.0 3.0
   71    75    79    80   0.15000  1.0 3.0
   71    75    79    83   0.62750  1.0 1.0
   71    75    79    83  -0.30950 -1.0 2.0
   71    75    79    83   0.27300  1.0 3.0
   71    75    79    84   0.56750  1.0 1.0
   71    75    79    84  -0.07550 -1.0 2.0
   71    75    79    84   0.20000  1.0 3.0
   71    75    81    82  -0.11600  1.0 1.0
   71    75    81    82  -0.09450 -1.0 2.0
   71    75    81    82   0.21250  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.15000  1.0 3.0
   72    71    75    81   0.23400  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78  -0.11600  1.0 1.0
   75    71    77    78  -0.09450 -1.0 2.0
   75    71    77    78   0.21250  1.0 3.0
   75    79   -83    65   0.06250  1.0 1.0
   75    79   -83    65  -0.01100 -1.0 2.0
   75    79   -83    65   0.28050  1.0 3.0
   75    79    84    85   0.15000  1.0 3.0
   75    79    84    86   0.15000  1.0 3.0
   75    79    84    87   0.86500  1.0 1.0
   75    79    84    87  -0.17500 -1.0 2.0
   75    79    84    87   0.20800  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    83   0.23400  1.0 3.0
   76    75    79    84   0.15000  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   79    75    81    82  -0.11600  1.0 1.0
   79    75    81    82  -0.09450 -1.0 2.0
   79    75    81    82   0.21250  1.0 3.0
   79    84    87    88  -0.11600  1.0 1.0
   79    84    87    88  -0.09450 -1.0 2.0
   79    84    87    88   0.21250  1.0 3.0
   80    79    83    65   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.23400  1.0 3.0
   83    65    69    70   0.23400  1.0 3.0
   83    65   -69    71   0.62750  1.0 1.0
   83    65   -69    71  -0.30950 -1.0 2.0
   83    65   -69    71   0.27300  1.0 3.0
   83    65    69    73   3.69350  1.0 1.0
   83    65    69    73  -1.82950 -1.0 2.0
   83    79    84    85   0.23400  1.0 3.0
   83    79    84    86   0.23400  1.0 3.0
   83    79    84    87   3.69350  1.0 1.0
   83    79    84    87  -1.82950 -1.0 2.0
   84    79    83    65   0.06250  1.0 1.0
   84    79    83    65  -0.01100 -1.0 2.0
   84    79    83    65   0.28050  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   3.69350  1.0 1.0
   81    75    79    83  -1.82950 -1.0 2.0
   81    75    79    84   0.86500  1.0 1.0
   81    75    79    84  -0.17500 -1.0 2.0
   81    75    79    84   0.20800  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   0.86500  1.0 1.0
   77    71    75    79  -0.17500 -1.0 2.0
   77    71    75    79   0.20800  1.0 3.0
   77    71    75    81   3.75450  1.0 1.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    75   0.86500  1.0 1.0
   73    69    71    75  -0.17500 -1.0 2.0
   73    69    71    75   0.20800  1.0 3.0
   73    69    71    77   3.75450  1.0 1.0
   56    49    54    55   3.62500 -1.0 2.0
   56    49    54    60   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  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    52    48    45   4.00000 -1.0 2.0
   58    51    50    48   1.10000 -1.0 2.0
   50    59    58    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    64    47    43   4.00000 -1.0 2.0
   54    56    49    47   4.00000 -1.0 2.0
   60    55    54    49   1.10000 -1.0 2.0
   61    63    60    54   4.00000 -1.0 2.0
   64    62    61    60   1.10000 -1.0 2.0
   61    67    64    47   4.00000 -1.0 2.0
END
