* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    28.26048    97.47746   -23.81171
    2     1 S   H    _HN1     2     1.02776   110.73550  -100.61822
    3     1 S   H    _H1_     3     1.02958    68.94070     1.78893
    4     1 S   H    _H2_     4     1.02835    39.43443   166.10896
    5     1 S   CT   _CA1     5     1.50142   134.29225   100.15461
    6     5 S   HC   _HA1     6     1.09576   105.20455    97.49523
    7     5 S   CO3  _C1_     7     1.53780   112.36131   -22.67616
    8     7 S   O2Z  _O11     8     1.26368   114.98746   -43.50213
    9     7 S   O2Z  _O12     9     1.26234   114.93016   135.54103
   10     5 S   CT   _CB1    10     1.53092   107.41354  -144.60137
   11    10 S   HC   HB11    11     1.09828   109.30940   -50.40042
   12    10 S   HC   HB12    12     1.09816   110.43257    66.14657
   13    10 S   CT   _CG1    13     1.53025   112.69461  -171.46678
   14    13 S   HC   HG11    14     1.09592   110.50717   -64.93302
   15    13 S   HC   HG12    15     1.09658   109.90458    54.27886
   16    13 S   C    _CD1    16     1.51847   112.28733   174.63348
   17    16 S   O    _OE1    17     1.22758   123.28435     1.38367
   18    16 S   N    _N2_    18     1.38571   111.74996  -178.61549
   19    18 S   H    _HN2    19     1.01562   119.02103     4.19054
   20    18 S   CT1  _CA2    20     1.45801   122.82003   177.73462
   21    20 S   HC   _HA2    21     1.09745   108.89519    24.34114
   22    20 S   C    _C2_    22     1.52946   107.20437   -92.58121
   23    22 S   O    _O2_    23     1.22957   123.09989   -26.02549
   24    20 S   CT   _CB2    32     1.53284   112.27361   147.49277
   25    24 S   HC   HB21    33     1.09515   110.01147    53.17169
   26    24 S   HC   HB22    34     1.09384   109.63218   172.10318
   27    22 S   N    _N3_    24     1.38509   112.45812   156.74290
   28    27 S   H    _HN3    25     1.01658   120.32831    -2.23169
   29    24 S   S    _SG2    35     1.82624   110.80716   -67.65490
   30    27 S   CT   _CA3    26     1.45351   122.59827   178.41539
   31    30 S   HC   HA31    27     1.09565   107.88045   -54.58512
   32    30 S   HC   HA32    28     1.09558   107.57026    61.79141
   33    29 S   CT   _C20    36     1.84051   101.32389  -178.03079
   34    30 S   CO3  _C3_    29     1.52917   114.22545  -176.47941
   35    34 S   O2Z  _O31    30     1.26353   116.02601     1.01626
   36    34 S   O2Z  _O32    31     1.26427   114.42991  -179.03389
   37    33 S   CM   _C21    37     1.51153   110.49533  -177.68480
   38    33 S   CO4  _C19    70     1.52272   108.51679    62.52989
   39    38 S   O    _O36    71     1.23244   121.45257  -101.36073
   40    33 S   OH   _O39    77     1.42467   111.86823   -56.40734
   41    40 S   HO   _H15    78     0.97146   107.54658    69.96235
   42    37 S   CMA  _C22    38     1.36606   127.35571  -107.44869
   43    42 S   OM   _O37    39     1.27241   128.03981   179.97202
   44    37 S   C    _C23    72     1.50887   114.44179    75.13571
   45    44 S   O    _O38    73     1.22672   122.48534   -60.45716
   46    42 S   CT   _C16    40     1.59034   118.57313    -1.95755
   47    46 S   OM   _O40    41     1.32880   112.21756   142.10530
   48    44 S   N    _N4_    74     1.37482   113.80741   116.51055
   49    48 S   H    _H13    75     1.01500   121.54656     4.84129
   50    48 S   H    _H14    76     1.01247   120.73912  -179.22267
   51    46 S   CO4  _C15    42     1.54734   109.89212   -98.97636
   52    51 S   O    _O35    43     1.23232   122.29853   -18.67890
   53    51 S   CA   _C7_    44     1.50833   119.91232   160.71447
   54    53 S   CA   _C6_    45     1.39666   120.44361   -13.50770
   55    54 S   CA   _C5_    46     1.42927   119.49626   179.41449
   56    54 S   CT   _C18    65     1.51492   120.53929     1.23115
   57    56 S   HC   _H11    66     1.09809   107.64139   105.03260
   58    56 S   HC   _H12    67     1.09758   109.46524  -138.67889
   59    55 S   CA   _C10    47     1.45276   121.87658     7.26066
   60    55 S   CT   _C4_    61     1.51827   117.46396  -171.49058
   61    60 S   HC   _H4_    62     1.09354   110.52642   -99.56976
   62    60 S   HC   _H5_    63     1.09302   113.23100    21.33756
   63    60 S   HC   _H6_    64     1.09383   110.56524   136.35213
   64    46 S   CT   _C17    68     1.54015   112.19637    20.95383
   65    64 S   HC   _H3_    69     1.10113   110.79116    67.11290
   66    59 S   CA   _C9_    48     1.42857   117.07874    -9.36867
   67    66 S   CA   _C14    49     1.43048   118.69747  -175.13893
   68    53 S   CA   _C8_    58     1.40815   120.61835   166.72737
   69    67 S   CA   _C13    50     1.39036   123.05178    -1.92834
   70    69 S   HA   _H8_    51     1.08587   121.46421  -179.79729
   71    67 S   OH   _O33    56     1.37624   120.48941   178.25976
   72    71 S   HO   _H9_    57     0.97144   109.69892   179.91377
   73    68 S   OH   _O34    59     1.37957   119.85951    -3.31458
   74    73 S   HO   _H10    60     0.97265   109.87080     1.34407
   75    69 S   CA   _C12    52     1.37591   118.98829    -1.52251
   76    75 S   HA   _H7_    53     1.08777   118.79392  -177.27696
   77    59 S   CA   _C11    54     1.44538   126.88893   170.67174
   78    77 S   Cl   Cl1_    55     1.74019   124.39785    -9.38511
  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   9   5   4   3
  14   2   1   1  15  14   5   4   1  12   5   5   3  11   6   2
   1   1  10   4  13  15  15   7   3   2  14   5   2   1   1   1
   1  11   9   5   7   4   2   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    64    38    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    56    64    65    38    39    44    45    48    40    41  
   35    36  
   36  
    0  
   42    43    46    47    51    64    38    39    44    45    48    49    50    40    41  
   39    44    40    41    42    46    47    51    54    56    57    58    64    65  
   40    46    56    64    65  
   41    42    44    64  
    0  
   43    46    47    51    52    53    56    64    65    44    45    48  
   46    47    51    64    44  
   45    48    49    50    46  
   48    49    50  
   47    51    52    53    54    68    56    57    58    64    65  
   51    52    53    56    64    65  
   49    50  
   50  
    0  
   52    53    54    55    66    68    73    56    64    65  
   53    54    68    64  
   54    55    59    66    67    68    73    74    60    56    57    58    64  
   55    59    66    77    68    73    60    61    62    63    56    57    58    64    65  
   59    66    67    75    77    78    68    60    61    62    63    56    57    58    64  
   57    58    64    65    59    60    68  
   58    64    65  
   64    65  
   66    67    69    75    76    77    78    71    68    73    60    61    62    63  
   61    62    63    66    77  
   62    63  
   63  
    0  
   65  
    0  
   67    69    70    75    77    78    71    72    68    73    74  
   69    70    75    76    77    71    72    68    73  
   73    74    69    71    77  
   70    75    76    77    78    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78  
   77    78  
   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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.522
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    44   410.000  1.444
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   570.000  1.307
   46    51   317.000  1.522
   46    64   268.000  1.529
   51    52   570.000  1.229
   51    53   310.000  1.470
   53    54   469.000  1.400
   53    68   469.000  1.400
   54    55   469.000  1.400
   54    56   317.000  1.510
   55    59   469.000  1.400
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    77   469.000  1.400
   66    67   469.000  1.400
   66    68   469.000  1.400
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   71    72   553.000  0.945
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    38   317.000  1.522
   38    39   570.000  1.229
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    50   434.000  1.010
   40    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    38    75.00000  110.18000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    70.00000  119.70000
   33    38    64    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    80.00000  125.30000
   37    44    48    80.00000  111.56200
   42    46    47    85.00000  110.90400
   42    46    51    70.00000  109.06800
   42    46    64    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    51    52    80.00000  120.40000
   46    51    53    65.00000  115.47100
   46    64    56    58.35000  112.70000
   46    64    65    37.50000  110.70000
   46    64    38    63.00000  111.10000
   51    46    47    90.00000  108.74100
   51    53    54    60.00000  119.52600
   51    53    68    60.00000  119.52600
   53    51    52    75.00000  123.78400
   53    54    55    63.00000  120.00000
   53    54    56    70.00000  120.00000
   53    68    66    63.00000  120.00000
   53    68    73    70.00000  120.00000
   54    55    59    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.17500
   55    59    66    63.00000  120.00000
   55    59    77    63.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    67    63.00000  120.00000
   59    66    68    63.00000  120.00000
   59    77    75    63.00000  120.00000
   59    77    78    75.00000  120.00000
   66    67    69    63.00000  120.00000
   66    67    71    70.00000  120.00000
   66    68    73    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    75    63.00000  120.00000
   67    71    72    35.00000  113.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    59    66    63.00000  120.00000
   77    75    76    35.00000  120.00000
   71    67    69    70.00000  120.00000
   68    53    54    63.00000  120.00000
   68    66    67    63.00000  120.00000
   68    73    74    35.00000  113.00000
   60    55    59    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    38    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    46    47    50.00000  109.50000
   64    46    51    63.00000  111.10000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    64    65    35.00000  109.50000
   44    37    42    60.00000  120.04000
   44    48    49    35.00000  119.80000
   44    48    50    35.00000  119.80000
   48    44    45    80.00000  122.90000
   50    48    49    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    90.00000  109.61100
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    64   0.65300  1.0 1.0
   29    33    38    64  -0.03850 -1.0 2.0
   29    33    38    64   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    44    45  -0.64400  1.0 1.0
   33    37    44    45   0.26850 -1.0 2.0
   33    37    44    48   1.59650  1.0 1.0
   33    37    44    48   0.42750 -1.0 2.0
   33    37    44    48  -0.48350  1.0 3.0
   37    33    38    64   0.65300  1.0 1.0
   37    33    38    64  -0.03850 -1.0 2.0
   37    33    38    64   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    46    47   0.39000  1.0 1.0
   37    42    46    47  -0.05800 -1.0 2.0
   37    42    46    47  -0.55150  1.0 3.0
   37    42    46    51  -0.51250  1.0 1.0
   37    42    46    51  -0.88800 -1.0 2.0
   37    42    46    51   0.08850  1.0 3.0
   37    42   -46    64   0.09850  1.0 1.0
   37    42   -46    64   0.15250 -1.0 2.0
   37    42   -46    64  -0.50650  1.0 3.0
   37    44    48    49   2.56700 -1.0 2.0
   37    44    48    50   2.56700 -1.0 2.0
   42    37    44    45   1.00000 -1.0 2.0
   42    37    44    48   0.49500  1.0 1.0
   42    37    44    48   1.31600 -1.0 2.0
   42    37    44    48  -0.02300  1.0 3.0
   42    46    51    52   0.30150 -1.0 2.0
   42    46    51    53   0.65300  1.0 1.0
   42    46    51    53  -0.03850 -1.0 2.0
   42    46    51    53   0.33900  1.0 3.0
   42    46    64    56   0.34400  1.0 1.0
   42    46    64    56   0.09450 -1.0 2.0
   42    46    64    56   0.11100  1.0 3.0
   42    46    64    65   0.15000  1.0 3.0
   42    46    64    38  -0.98800  1.0 1.0
   42    46    64    38   0.48800 -1.0 2.0
   42    46    64    38   0.76800  1.0 3.0
   43    42    46    47   0.09700  1.0 1.0
   43    42    46    47   0.15600 -1.0 2.0
   43    42    46    47  -0.50800  1.0 3.0
   43    42    46    51   0.09700  1.0 1.0
   43    42    46    51   0.15600 -1.0 2.0
   43    42    46    51  -0.50800  1.0 3.0
   43    42    46    64   0.09700  1.0 1.0
   43    42    46    64   0.15600 -1.0 2.0
   43    42    46    64  -0.50800  1.0 3.0
   46    51    53    54   2.26350  1.0 1.0
   46    51    53    54   0.76750 -1.0 2.0
   46    51    53    54   0.22500  1.0 3.0
   46    51    53    68   2.26350  1.0 1.0
   46    51    53    68   0.76750 -1.0 2.0
   46    51    53    68   0.22500  1.0 3.0
   46    64   -38    33   0.60050  1.0 1.0
   46    64   -38    33   0.05600 -1.0 2.0
   46    64   -38    33   0.26150  1.0 3.0
   46    64    38    39   0.30150 -1.0 2.0
   47    46    51    52   0.30150 -1.0 2.0
   47    46    51    53   0.65300  1.0 1.0
   47    46    51    53  -0.03850 -1.0 2.0
   47    46    51    53   0.33900  1.0 3.0
   47    46    64    56   0.62750  1.0 1.0
   47    46    64    56  -0.30950 -1.0 2.0
   47    46    64    56   0.27300  1.0 3.0
   47    46    64    65   0.23400  1.0 3.0
   47    46    64    38  -0.09450  1.0 1.0
   47    46    64    38  -1.12950 -1.0 2.0
   47    46    64    38   0.54000  1.0 3.0
   51    46    64    56  -0.95700  1.0 1.0
   51    46    64    56  -0.18200 -1.0 2.0
   51    46    64    56   0.29450  1.0 3.0
   51    46    64    65  -0.11250  1.0 3.0
   51    46    64    38   0.11950  1.0 1.0
   51    46    64    38   0.20300 -1.0 2.0
   51    46    64    38  -0.70800  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53   -54    56   3.62500 -1.0 2.0
   51    53    68    66   3.62500 -1.0 2.0
   51    53    68    73   3.62500 -1.0 2.0
   52    51    53    54   1.05000 -1.0 2.0
   52    51    53    68   1.05000 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    55    60   3.62500 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.04150 -1.0 2.0
   53    68    73    74   0.84100 -1.0 2.0
   54    53    68    66   3.62500 -1.0 2.0
   54    53    68    73   3.62500 -1.0 2.0
   54    55   -59    66   3.62500 -1.0 2.0
   54    55    59    77   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    46  -0.03700  1.0 1.0
   54    56   -64    46   0.37200 -1.0 2.0
   54    56   -64    46  -0.47300  1.0 3.0
   54    56    64    65   0.43200  1.0 3.0
   54    56    64    38   0.56750  1.0 1.0
   54    56    64    38  -0.07550 -1.0 2.0
   54    56    64    38   0.20000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.04150 -1.0 2.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    66    68   3.62500 -1.0 2.0
   55    59    77    75   3.62500 -1.0 2.0
   55    59    77    78   3.62500 -1.0 2.0
   59    55    60    61   0.00000  1.0 1.0
   59    55    60    62   0.00000  1.0 1.0
   59    55    60    63   0.00000  1.0 1.0
   59    66    67    69   3.62500 -1.0 2.0
   59    66    67    71   3.62500 -1.0 2.0
   59    66   -68    53   3.62500 -1.0 2.0
   59    66    68    73   3.62500 -1.0 2.0
   66    59    77    75   3.62500 -1.0 2.0
   66    59    77    78   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67   -69    75   3.62500 -1.0 2.0
   66    67    71    72   0.84100 -1.0 2.0
   66    68    73    74   0.84100 -1.0 2.0
   67    66    68    53   3.62500 -1.0 2.0
   67    66    68    73   3.62500 -1.0 2.0
   67    69    75    76   3.62500 -1.0 2.0
   67    69    75    77   3.62500 -1.0 2.0
   69    67    71    72   0.84100 -1.0 2.0
   69    75   -77    59   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    59   -66    67   3.62500 -1.0 2.0
   77    59    66    68   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   71    67    69    75   3.62500 -1.0 2.0
   68    53   -54    55   3.62500 -1.0 2.0
   68    53    54    56   3.62500 -1.0 2.0
   68    66    67    69   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   60    55    59    66   3.62500 -1.0 2.0
   60    55    59    77   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   56    64    38    33   0.60050  1.0 1.0
   56    64    38    33   0.05600 -1.0 2.0
   56    64    38    33   0.26150  1.0 3.0
   56    64    38    39   0.30150 -1.0 2.0
   57    56    64    46   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    38  -0.11250  1.0 3.0
   58    56    64    46   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    38  -0.11250  1.0 3.0
   64    46    51    52   0.30150 -1.0 2.0
   64    46   -51    53   0.05850 -1.0 2.0
   64    46   -51    53   0.17250  1.0 3.0
   65    64    38    33   0.00000  1.0 1.0
   65    64    38    39   0.00000  1.0 1.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    40    41   0.91850  1.0 1.0
   38    33    40    41   0.57950  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    50   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    64   0.55300  1.0 1.0
   40    33    38    64   1.25850 -1.0 2.0
   40    33    38    64  -0.23600  1.0 3.0
   40    33    38    39   0.30150 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   46    53    51    52  10.50000 -1.0 2.0
   54    68    53    51   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   59    60    55    54   4.00000 -1.0 2.0
   66    77    59    55   4.00000 -1.0 2.0
   67    68    66    59   4.00000 -1.0 2.0
   69    71    67    66   4.00000 -1.0 2.0
   75    70    69    67   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    59   4.00000 -1.0 2.0
   66    73    68    53   4.00000 -1.0 2.0
   33    64    38    39  10.50000 -1.0 2.0
   37    48    44    45  10.50000 -1.0 2.0
   50    44    48    49   1.00000 -1.0 2.0
END
