* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    149    241     435
    1     0 S   NP   _N1_     1    29.18130    94.01775   -24.66954
    2     1 S   H    _HN1     2     1.02788   111.73477  -106.74109
    3     1 S   H    _H1_     3     1.02948    84.34467     0.86071
    4     1 S   H    _H2_     4     1.02828    23.19691   168.40019
    5     1 S   CT   _CA1     5     1.50149   125.27833   111.89989
    6     5 S   HC   _HA1     6     1.09570   105.13004    79.73813
    7     5 S   CO3  _C1_     7     1.53821   112.63396   -40.33772
    8     7 S   O2Z  _O11     8     1.26376   115.01456   -36.31840
    9     7 S   O2Z  _O12     9     1.26239   115.00625   142.87692
   10     5 S   CT   _CB1    10     1.53097   107.40030  -162.22016
   11    10 S   HC   HB11    11     1.09838   109.39946   -48.27113
   12    10 S   HC   HB12    12     1.09792   110.40221    68.28228
   13    10 S   CT   _CG1    13     1.52997   112.68549  -169.14496
   14    13 S   HC   HG11    14     1.09534   110.78712   -66.36280
   15    13 S   HC   HG12    15     1.09670   109.67292    52.85394
   16    13 S   C    _CD1    16     1.51778   112.16931   173.38461
   17    16 S   O    _OE1    17     1.22734   123.24092    11.26428
   18    16 S   N    _N2_    18     1.38647   111.72832  -168.96952
   19    18 S   H    _HN2    19     1.01574   118.96738     1.48293
   20    18 S   CT1  _CA2    20     1.46152   123.41470   176.99313
   21    20 S   HC   _HA2    21     1.09577   109.25362     5.08785
   22    20 S   C    _C2_    22     1.53616   108.83489  -110.03316
   23    22 S   O    _O2_    23     1.23066   122.22252  -148.85479
   24    20 S   CT   _CB2    32     1.53287   111.63065   127.56195
   25    24 S   HC   HB21    33     1.09650   109.69522    60.71126
   26    24 S   HC   HB22    34     1.09562   111.08440   178.25527
   27    22 S   N    _N3_    24     1.38307   113.79139    38.64254
   28    27 S   H    _HN3    25     1.01559   119.60724    -3.23580
   29    24 S   S    _SG2    35     1.82715   114.08979   -59.00830
   30    27 S   CT   _CA3    26     1.45283   123.28789   177.17936
   31    30 S   HC   HA31    27     1.09547   107.52235   -64.64517
   32    30 S   HC   HA32    28     1.09555   107.99238    51.82070
   33    29 S   CT   _C17    36     1.82126    99.68079   -69.56376
   34    33 S   HC   _H3_    37     1.09445   108.43022   -54.57635
   35    33 S   HC   _H4_    38     1.09381   110.04824    62.75936
   36    30 S   CO3  _C3_    29     1.52976   114.01332   173.81708
   37    36 S   O2Z  _O31    30     1.26386   116.05331    -0.28871
   38    36 S   O2Z  _O32    31     1.26419   114.42636   179.76261
   39    33 S   CM   _C4_    39     1.49615   110.32234  -176.73889
   40    39 S   CMA  _C5_    40     1.35704   128.59191   110.19139
   41    40 S   OM   _O16    41     1.26283   128.19714    -1.13453
   42    40 S   OS   _O17    42     1.44362   109.27603   179.95154
   43    42 S   CT   _C10    43     1.42533   102.17150   -24.05514
   44    43 S   HC   _H28    44     1.10259   107.65751   -78.13401
   45    39 S   CT   _C7_    45     1.49120   121.91543   -67.69984
   46    45 S   HC   _H25    46     1.09945   106.42503    88.42888
   47    45 S   CT   _C6_    47     1.53227   122.94193   -37.93681
   48    47 S   HC   _H23    48     1.09855   109.32151   -55.50843
   49    47 S   HC   _H24    49     1.09331   111.10586    60.97009
   50    47 S   CT   _C9_    50     1.56059   110.46432  -175.14441
   51    50 S   HC   _H27    51     1.09893   107.76120   167.42728
   52    50 S   C3T  _C13    52     1.51514   107.83273    50.19425
   53    50 S   CT   _C18    68     1.54719   114.28383   -72.89552
   54    53 S   HC   _H39    69     1.09485   111.15936    71.81646
   55    43 S   CT   _C8_    53     1.52131   116.33827   158.83955
   56    55 S   HC   _H26    54     1.09842   109.69940   -59.07369
   57    53 S   CT   _C16    70     1.52430   113.73988   -51.96890
   58    57 S   HC   _H34    71     1.09445   110.65671   -52.34851
   59    57 S   HC   _H35    72     1.09558   110.72683  -170.42472
   60    57 S   HC   _H36    73     1.09323   111.89008    69.30083
   61    53 S   OH   _O20    74     1.43148   107.78951  -171.26423
   62    61 S   HO   _H41    75     0.97253   107.64163  -178.74664
   63    55 S   CT   _C14    55     1.55397   118.68089    65.26845
   64    63 S   CT   _C12    56     1.56894   103.70889   149.18847
   65    64 S   Cl   CL22    57     1.78427   113.72465    87.44728
   66    64 S   HC   _H30    58     1.09454   112.07806  -149.28850
   67    63 S   CT   _C15    62     1.52735   112.50390   -84.96957
   68    67 S   HC   _H31    63     1.09588   110.62982  -173.67498
   69    67 S   HC   _H32    64     1.09581   110.69433    68.75784
   70    67 S   HC   _H33    65     1.09400   112.65052   -52.01220
   71    63 S   OH   _O19    66     1.43406   109.92411    33.71721
   72    71 S   HO   _H40    67     0.97233   108.06923   178.81139
   73    52 S   C3T  _C11    59     1.48832   128.12748   156.49871
   74    73 S   HC   _H29    60     1.07643   122.96152    12.39850
   75    52 S   O3T  _O18    61     1.44508   112.11026    90.14557
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  16   7  11   5  12   5
   4  17   8  15  10   6  14   6   5   3   2   1   1   1  12  11
   6   5   6   3   2   1   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    47  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    50    55  
   41    42    43    44    45    46    47    55  
   42    43    45  
   43    44    45    46    47    52    55    56    63  
   44    45    46    47    48    49    50    52    55    56    63    64    73    75    67    71  
   45    46    47    52    55    56    63  
   46    47    48    49    50    51    52    55    56    63    53  
   47    48    49    50    55  
   48    49    50    51    52    55    73    75    53    54    57    61  
   49    50    51    52    53  
   50    51    52    53  
   51    52    55    56    63    64    73    74    75    53    54    57    58    59    60    61    62  
   52    55    73    75    53    54    57    61  
   55    56    63    64    65    66    73    74    75    67    71    53    54    57    61  
   54    57    58    59    60    61    62    55    73    75  
   57    58    59    60    61    62  
   56    63    64    65    66    73    74    75    67    68    69    70    71    72  
   63    64    73    75    67    71  
   58    59    60    61    62  
   59    60    61  
   60    61  
   61  
   62  
    0  
   64    65    66    73    74    75    67    68    69    70    71    72  
   65    66    73    74    75    67    68    69    70    71    72  
   66    73    74    75    67    71  
   73    74    75    67    71  
   68    69    70    71    72    73  
   69    70    71  
   70    71  
   71  
   72    73  
    0  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   66   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    55   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   275.000  1.510
   50    53   268.000  1.529
   52    55   275.000  1.510
   52    73   260.000  1.509
   52    75   335.000  1.432
   55    56   340.000  1.090
   55    63   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   63    71   320.000  1.410
   64    65   245.000  1.781
   64    66   340.000  1.090
   64    73   275.000  1.510
   73    74   340.000  1.088
   73    75   335.000  1.432
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    61   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    47    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    55    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    55    52    70.00000  112.37300
   43    55    56    37.50000  110.70000
   43    55    63    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    70.00000  112.37300
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    52    73    60.00000  120.94000
   50    52    75    80.00000  116.47100
   50    53    54    37.50000  110.70000
   50    53    57    58.35000  112.70000
   50    53    61    50.00000  109.50000
   52    50    51    45.00000  109.38400
   52    55    56    45.00000  109.38400
   52    55    63    70.00000  112.37300
   52    73    64    60.00000  120.94000
   52    73    74    37.50000  117.20000
   52    73    75    15.00000   60.43100
   52    75    73    15.00000   59.14900
   55    43    44    37.50000  110.70000
   55    43    45    58.35000  112.70000
   55    63    64    58.35000  112.70000
   55    63    67    58.35000  112.70000
   55    63    71    50.00000  109.50000
   63    55    56    37.50000  110.70000
   63    64    65    69.00000  109.80000
   63    64    66    37.50000  110.70000
   63    64    73    70.00000  112.37300
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   63    71    72    55.00000  108.50000
   64    73    74    40.00000  115.04500
   64    73    75    80.00000  116.47100
   66    64    65    51.00000  107.60000
   73    52    55    60.00000  120.94000
   73    64    65    69.00000  109.80000
   73    64    66    45.00000  109.38400
   75    52    55    80.00000  116.47100
   75    52    73    15.00000   60.43100
   75    73    74    50.00000  114.27700
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    63    64    50.00000  109.50000
   71    63    67    50.00000  109.50000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.37300
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   53    61    62    55.00000  108.50000
   57    53    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    54    35.00000  109.50000
   61    53    57    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.46850  1.0 1.0
   33    39    45    47   0.08550 -1.0 2.0
   33    39    45    47   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    47    48   0.15000  1.0 3.0
   39    45    47    49   0.15000  1.0 3.0
   39    45    47    50   0.34400  1.0 1.0
   39    45    47    50   0.09450 -1.0 2.0
   39    45    47    50   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.09850  1.0 1.0
   40    39    45    47   0.15250 -1.0 2.0
   40    39    45    47  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    55  -0.46850  1.0 1.0
   40    42    43    55   0.09300 -1.0 2.0
   40    42    43    55  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.62750  1.0 1.0
   42    43    45    47  -0.30950 -1.0 2.0
   42    43    45    47   0.27300  1.0 3.0
   42    43    55    52  -0.26800  1.0 1.0
   42    43    55    52   0.69150 -1.0 2.0
   42    43    55    52  -0.48750  1.0 3.0
   42    43    55    56   0.23400  1.0 3.0
   42    43    55    63   0.62750  1.0 1.0
   42    43    55    63  -0.30950 -1.0 2.0
   42    43    55    63   0.27300  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.15000  1.0 3.0
   43    45    47    50   0.56750  1.0 1.0
   43    45    47    50  -0.07550 -1.0 2.0
   43    45    47    50   0.20000  1.0 3.0
   43    55    63    64   0.56750  1.0 1.0
   43    55    63    64  -0.07550 -1.0 2.0
   43    55    63    64   0.20000  1.0 3.0
   43    55    63    67   0.56750  1.0 1.0
   43    55    63    67  -0.07550 -1.0 2.0
   43    55    63    67   0.20000  1.0 3.0
   43    55    63    71   0.86500  1.0 1.0
   43    55    63    71  -0.17500 -1.0 2.0
   43    55    63    71   0.20800  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    55    52   0.15000  1.0 3.0
   44    43    55    56   0.15000  1.0 3.0
   44    43    55    63   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    55    52   0.47050  1.0 1.0
   45    43    55    52   0.03900 -1.0 2.0
   45    43    55    52   0.20100  1.0 3.0
   45    43    55    56   0.15000  1.0 3.0
   45    43    55    63   0.56750  1.0 1.0
   45    43    55    63  -0.07550 -1.0 2.0
   45    43    55    63   0.20000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47   -50    52   0.47050  1.0 1.0
   45    47   -50    52   0.03900 -1.0 2.0
   45    47   -50    52   0.20100  1.0 3.0
   45    47    50    53   0.56750  1.0 1.0
   45    47    50    53  -0.07550 -1.0 2.0
   45    47    50    53   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   47    50    52    55   0.56750  1.0 1.0
   47    50    52    55  -0.07550 -1.0 2.0
   47    50    52    55   0.20000  1.0 3.0
   47    50    52    73   0.07850  1.0 1.0
   47    50    52    73  -0.03950 -1.0 2.0
   47    50    52    73   0.67350  1.0 3.0
   47    50    52    75   0.02550  1.0 1.0
   47    50    52    75  -0.02600 -1.0 2.0
   47    50    52    75   1.20400  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    57   0.56750  1.0 1.0
   47    50    53    57  -0.07550 -1.0 2.0
   47    50    53    57   0.20000  1.0 3.0
   47    50    53    61   0.86500  1.0 1.0
   47    50    53    61  -0.17500 -1.0 2.0
   47    50    53    61   0.20800  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    52   -55    43   0.56750  1.0 1.0
   50    52   -55    43  -0.07550 -1.0 2.0
   50    52   -55    43   0.20000  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    63   0.56750  1.0 1.0
   50    52    55    63  -0.07550 -1.0 2.0
   50    52    55    63   0.20000  1.0 3.0
   50    52    73    64   0.56750  1.0 1.0
   50    52    73    64  -0.07550 -1.0 2.0
   50    52    73    64   0.20000  1.0 3.0
   50    52    73    74   0.15000  1.0 3.0
   50    52   -73    75   0.02550  1.0 1.0
   50    52   -73    75  -0.02600 -1.0 2.0
   50    52   -73    75   1.20400  1.0 3.0
   50    52   -75    73   0.06250  1.0 1.0
   50    52   -75    73  -0.01100 -1.0 2.0
   50    52   -75    73   0.28050  1.0 3.0
   50    53    57    58   0.15000  1.0 3.0
   50    53    57    59   0.15000  1.0 3.0
   50    53    57    60   0.15000  1.0 3.0
   50    53    61    62  -0.11600  1.0 1.0
   50    53    61    62  -0.09450 -1.0 2.0
   50    53    61    62   0.21250  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    73   0.15000  1.0 3.0
   51    50    52    75   0.23400  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    53    61   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    57   0.47050  1.0 1.0
   52    50    53    57   0.03900 -1.0 2.0
   52    50    53    57   0.20100  1.0 3.0
   52    50    53    61   0.86500  1.0 1.0
   52    50    53    61  -0.17500 -1.0 2.0
   52    50    53    61   0.20800  1.0 3.0
   52    55   -63    64   0.47050  1.0 1.0
   52    55   -63    64   0.03900 -1.0 2.0
   52    55   -63    64   0.20100  1.0 3.0
   52    55    63    67   0.47050  1.0 1.0
   52    55    63    67   0.03900 -1.0 2.0
   52    55    63    67   0.20100  1.0 3.0
   52    55    63    71   0.86500  1.0 1.0
   52    55    63    71  -0.17500 -1.0 2.0
   52    55    63    71   0.20800  1.0 3.0
   55    43    45    39   0.34400  1.0 1.0
   55    43    45    39   0.09450 -1.0 2.0
   55    43    45    39   0.11100  1.0 3.0
   55    43    45    46   0.15000  1.0 3.0
   55    43   -45    47   0.56750  1.0 1.0
   55    43   -45    47  -0.07550 -1.0 2.0
   55    43   -45    47   0.20000  1.0 3.0
   55    52   -73    64   0.56750  1.0 1.0
   55    52   -73    64  -0.07550 -1.0 2.0
   55    52   -73    64   0.20000  1.0 3.0
   55    52    73    74   0.15000  1.0 3.0
   55    52   -73    75   0.02550  1.0 1.0
   55    52   -73    75  -0.02600 -1.0 2.0
   55    52   -73    75   1.20400  1.0 3.0
   55    52   -75    73   0.06250  1.0 1.0
   55    52   -75    73  -0.01100 -1.0 2.0
   55    52   -75    73   0.28050  1.0 3.0
   55    63    64    65   0.35600  1.0 1.0
   55    63    64    65  -0.14650 -1.0 2.0
   55    63    64    65   0.33350  1.0 3.0
   55    63    64    66   0.15000  1.0 3.0
   55    63   -64    73   0.47050  1.0 1.0
   55    63   -64    73   0.03900 -1.0 2.0
   55    63   -64    73   0.20100  1.0 3.0
   55    63    67    68   0.15000  1.0 3.0
   55    63    67    69   0.15000  1.0 3.0
   55    63    67    70   0.15000  1.0 3.0
   55    63    71    72  -0.11600  1.0 1.0
   55    63    71    72  -0.09450 -1.0 2.0
   55    63    71    72   0.21250  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    67   0.15000  1.0 3.0
   56    55    63    71   0.23400  1.0 3.0
   63    64   -73    52   0.07850  1.0 1.0
   63    64   -73    52  -0.03950 -1.0 2.0
   63    64   -73    52   0.67350  1.0 3.0
   63    64    73    74   0.15000  1.0 3.0
   63    64    73    75   0.02550  1.0 1.0
   63    64    73    75  -0.02600 -1.0 2.0
   63    64    73    75   1.20400  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    71    72  -0.11600  1.0 1.0
   64    63    71    72  -0.09450 -1.0 2.0
   64    63    71    72   0.21250  1.0 3.0
   64    73   -75    52   0.06250  1.0 1.0
   64    73   -75    52  -0.01100 -1.0 2.0
   64    73   -75    52   0.28050  1.0 3.0
   65    64    73    52   0.35600  1.0 1.0
   65    64    73    52  -0.14650 -1.0 2.0
   65    64    73    52   0.33350  1.0 3.0
   65    64    73    74   0.27000  1.0 3.0
   65    64    73    75   0.56750  1.0 1.0
   65    64    73    75  -0.07550 -1.0 2.0
   65    64    73    75   0.20000  1.0 3.0
   66    64    73    52   0.15000  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    75   0.23400  1.0 3.0
   73    52    55    43   0.07850  1.0 1.0
   73    52    55    43  -0.03950 -1.0 2.0
   73    52    55    43   0.67350  1.0 3.0
   73    52    55    56   0.15000  1.0 3.0
   73    52   -55    63   0.07850  1.0 1.0
   73    52   -55    63  -0.03950 -1.0 2.0
   73    52   -55    63   0.67350  1.0 3.0
   74    73   -75    52   0.36800  1.0 3.0
   75    52    55    43   0.02550  1.0 1.0
   75    52    55    43  -0.02600 -1.0 2.0
   75    52    55    43   1.20400  1.0 3.0
   75    52    55    56   0.23400  1.0 3.0
   75    52   -55    63   0.02550  1.0 1.0
   75    52   -55    63  -0.02600 -1.0 2.0
   75    52   -55    63   1.20400  1.0 3.0
   75    52   -73    64   0.02550  1.0 1.0
   75    52   -73    64  -0.02600 -1.0 2.0
   75    52   -73    64   1.20400  1.0 3.0
   75    52   -73    74   0.23400  1.0 3.0
   67    63    64    65   0.35600  1.0 1.0
   67    63    64    65  -0.14650 -1.0 2.0
   67    63    64    65   0.33350  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    73   0.47050  1.0 1.0
   67    63    64    73   0.03900 -1.0 2.0
   67    63    64    73   0.20100  1.0 3.0
   67    63    71    72  -0.11600  1.0 1.0
   67    63    71    72  -0.09450 -1.0 2.0
   67    63    71    72   0.21250  1.0 3.0
   71    63    64    65   0.56750  1.0 1.0
   71    63    64    65  -0.07550 -1.0 2.0
   71    63    64    65   0.20000  1.0 3.0
   71    63    64    66   0.23400  1.0 3.0
   71    63    64    73   0.86500  1.0 1.0
   71    63    64    73  -0.17500 -1.0 2.0
   71    63    64    73   0.20800  1.0 3.0
   71    63    67    68   0.23400  1.0 3.0
   71    63    67    69   0.23400  1.0 3.0
   71    63    67    70   0.23400  1.0 3.0
   53    50    52    55   0.56750  1.0 1.0
   53    50    52    55  -0.07550 -1.0 2.0
   53    50    52    55   0.20000  1.0 3.0
   53    50    52    73   0.07850  1.0 1.0
   53    50    52    73  -0.03950 -1.0 2.0
   53    50    52    73   0.67350  1.0 3.0
   53    50    52    75   0.02550  1.0 1.0
   53    50    52    75  -0.02600 -1.0 2.0
   53    50    52    75   1.20400  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    61    62   0.19450  1.0 3.0
   57    53    61    62  -0.11600  1.0 1.0
   57    53    61    62  -0.09450 -1.0 2.0
   57    53    61    62   0.21250  1.0 3.0
   61    53    57    58   0.23400  1.0 3.0
   61    53    57    59   0.23400  1.0 3.0
   61    53    57    60   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
