* LIGAND DATABASE FILE (OPLS2005)
*
001      78    83    147    253     439
    1     0 S   NP   _N1_     1    29.12543    95.60159   -26.76081
    2     1 S   H    _HN1     2     1.02795   125.55363   -98.61392
    3     1 S   H    _H1_     3     1.02947    75.73966     3.98222
    4     1 S   H    _H2_     4     1.02827    32.12079  -163.23936
    5     1 S   CT   _CA1     5     1.50127   116.70715   109.95498
    6     5 S   HC   _HA1     6     1.09574   105.15742    93.86535
    7     5 S   CO3  _C1_     7     1.53766   112.45779   -26.33693
    8     7 S   O2Z  _O11     8     1.26377   115.00577   -42.71175
    9     7 S   O2Z  _O12     9     1.26235   114.93859   136.27891
   10     5 S   CT   _CB1    10     1.53055   107.40174  -148.17592
   11    10 S   HC   HB11    11     1.09842   109.32021   -49.35508
   12    10 S   HC   HB12    12     1.09810   110.48110    67.23365
   13    10 S   CT   _CG1    13     1.53026   112.64946  -170.28517
   14    13 S   HC   HG11    14     1.09567   110.74167   -67.54845
   15    13 S   HC   HG12    15     1.09669   109.69121    51.70577
   16    13 S   C    _CD1    16     1.51816   111.94926   172.18902
   17    16 S   O    _OE1    17     1.22761   123.15959    12.92245
   18    16 S   N    _N2_    18     1.38649   111.87071  -167.05737
   19    18 S   H    _HN2    19     1.01571   118.99633     0.95900
   20    18 S   CT1  _CA2    20     1.46221   123.35832   176.46919
   21    20 S   HC   _HA2    21     1.09739   109.25490     8.24984
   22    20 S   C    _C2_    22     1.53701   108.88788  -107.26732
   23    22 S   O    _O2_    23     1.23090   122.22158  -148.75291
   24    20 S   CT   _CB2    32     1.53344   111.71064   130.22533
   25    24 S   HC   HB21    33     1.09589   110.11230    56.78100
   26    24 S   HC   HB22    34     1.09419   109.96021   175.71655
   27    22 S   N    _N3_    24     1.38305   113.90056    38.72988
   28    27 S   H    _HN3    25     1.01539   119.62369    -3.10388
   29    24 S   S    _SG2    35     1.82639   111.61793   -63.98762
   30    27 S   CT   _CA3    26     1.45287   123.31182   177.24999
   31    30 S   HC   HA31    27     1.09546   107.49744   -65.24040
   32    30 S   HC   HA32    28     1.09554   108.01946    51.22847
   33    29 S   CT   _C26    36     1.86123    99.41354   179.19400
   34    33 S   HC   _H5_    37     1.10041   106.52436   -35.69055
   35    30 S   CO3  _C3_    29     1.52985   114.02259   173.23723
   36    35 S   O2Z  _O31    30     1.26387   116.07020    -0.56752
   37    35 S   O2Z  _O32    31     1.26423   114.42258   179.49681
   38    33 S   CT   _C27    38     1.57055   110.61139  -156.01552
   39    38 S   OM   _O33    39     1.32907   105.18018    79.42567
   40    38 S   HC   _H6_    40     1.09582   103.39035   -50.86329
   41    38 S   CA   _C18    41     1.55880   115.09920  -163.08939
   42    41 S   CA   _C17    42     1.48010   122.46216  -173.17128
   43    41 S   CA   _C19    68     1.41821   116.99599     4.41255
   44    42 S   CA   _C7_    43     1.46835   128.37359   -15.03908
   45    43 S   CT   _C24    69     1.51320   124.40215    10.31584
   46    45 S   HC   _H3_    70     1.09798   108.16726   133.92842
   47    42 S   CR3  _C16    77     1.42718   115.87263   164.16325
   48    44 S   CA   _C6_    44     1.42323   123.78759   -14.49029
   49    48 S   HA   _H9_    45     1.08036   121.32113    -5.93273
   50    33 S   CT   _C25    71     1.53043   109.56063    81.41904
   51    50 S   HC   _H4_    72     1.09607   110.45478   -54.66389
   52    45 S   OH   _O35    75     1.42819   108.12028  -109.59221
   53    52 S   HO   _H18    76     0.97206   107.64424  -176.04542
   54    64 S   CR3  _C15    78     1.41185   119.19270     2.21505
   55    48 S   CA   _C5_    46     1.39629   124.71388   176.45624
   56    55 S   HA   _H8_    47     1.08563   120.09859  -178.95807
   57    50 S   OH   _O34    73     1.42783   111.45097    64.75886
   58    57 S   HO   _H17    74     0.97194   107.76227  -179.18627
   59    55 S   CA   _C4_    48     1.37198   119.24903     1.39227
   60    59 S   HA   _H7_    49     1.08499   120.78133  -179.64173
   61    59 S   CA   _C9_    50     1.38929   118.62085     2.41208
   62    61 S   HA   _H10    51     1.08622   115.09315   177.36448
   63    44 S   CA   _C8_    52     1.42832   121.16327   168.06108
   64    63 S   CA   _C10    53     1.42557   120.08802     5.90930
   65    64 S   CA   _C11    54     1.42277   123.58048  -179.93439
   66    65 S   HA   _H11    55     1.08612   121.64813     2.92114
   67    65 S   CA   _C12    56     1.39173   122.91590  -176.58344
   68    67 S   HA   _H12    57     1.08587   120.18782   179.68410
   69    67 S   CA   _C13    58     1.38024   119.44934     0.25101
   70    69 S   HA   _H13    59     1.08773   118.84002   179.40752
   71    69 S   CA   _C14    60     1.39527   119.95943    -0.96753
   72    71 S   CA   _C23    61     1.39006   118.26977  -179.83098
   73    72 S   HA   _H16    62     1.08777   121.26991    -0.68643
   74    72 S   CA   _C22    63     1.38311   119.97669   179.01563
   75    74 S   HA   _H15    64     1.08851   118.33425  -179.69290
   76    74 S   CA   _C21    65     1.39619   120.63191    -0.83626
   77    76 S   CA   _C20    66     1.38472   117.47028  -178.45275
   78    77 S   HA   _H14    67     1.09002   119.99173    -2.37174
  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  10   5   4   3
  14   8   2   1   1  12   5   4  14  15  13  13  10   6  13   8
   4   6   3   3   1  14   6   3   1   1   5   3   4   2   5   8
   6   3   5   3   5   2   5   5   3   4   2   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    50    51    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    50    51    57    58    52  
   38    39    40    41    45    50    51    57  
   36    37  
   37  
    0  
   39    40    41    42    44    77    43    45    50    51    57    47  
   40    41    42    43    50  
   41    42    43    50  
   42    44    48    63    76    77    78    43    45    46    50    52    47    54  
   44    48    49    55    61    63    64    71    74    76    77    43    45    47    54  
   45    46    50    51    57    52    53    47    44    74    76    77    78  
   48    49    55    56    59    61    62    63    64    65    76    47    54  
   46    50    51    57    58    52    53    76    77    78  
   50    51    57    52    53    77  
   54    48    63    64    65    69    71    72    74    75    76    77    78  
   49    55    56    59    60    61    63    64  
   55    56    59    63  
   51    57    58    52    53    77  
   57    58    52  
   53    57    77  
    0  
   61    63    64    65    66    67    69    70    71    72    73    74    76    77  
   56    59    60    61    62    63  
   59    60    61  
   58  
    0  
   60    61    62    63    64  
   61    62    63  
   62    63    64    65  
   63    64  
   64    65    66    67    71  
   65    66    67    68    69    71    72    76  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73    74  
   71    72  
   72    73    74    75    76  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78  
   76    77  
   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   0.107500   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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   268.000  1.529
   33    50   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   469.000  1.400
   41    43   469.000  1.400
   42    44   375.000  1.464
   42    47   490.000  1.398
   44    48   469.000  1.400
   44    63   469.000  1.400
   48    49   367.000  1.080
   48    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   375.000  1.464
   64    65   469.000  1.400
   64    54   490.000  1.398
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    54   490.000  1.398
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    47   490.000  1.398
   77    78   367.000  1.080
   77    43   469.000  1.400
   43    45   317.000  1.510
   45    46   340.000  1.090
   45    50   268.000  1.529
   45    52   320.000  1.410
   50    51   340.000  1.090
   50    57   320.000  1.410
   57    58   553.000  0.945
   52    53   553.000  0.945
   47    54   490.000  1.398
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    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    50    45    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  120.00000
   38    41    43    70.00000  120.00000
   40    38    39    45.00000  125.66300
   41    38    39    85.00000  111.85700
   41    38    40    35.00000  109.50000
   41    42    44    60.00000  122.76000
   41    42    47    70.00000  112.88000
   41    43    77    63.00000  120.00000
   41    43    45    70.00000  120.00000
   42    44    48    60.00000  122.76000
   42    44    63    60.00000  122.76000
   42    47    76    60.00000  130.80000
   42    47    54    60.00000  130.80000
   44    48    49    35.00000  120.00000
   44    48    55    63.00000  120.00000
   44    63    61    63.00000  120.00000
   44    63    64    60.00000  122.76000
   48    55    56    35.00000  120.00000
   48    55    59    63.00000  120.00000
   55    48    49    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    61    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    60.00000  122.76000
   63    44    48    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    64    65    60.00000  122.76000
   63    64    54    60.00000  122.76000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    54    71    60.00000  130.80000
   64    54    47    60.00000  130.80000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    54    70.00000  112.88000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    54    47    60.00000  130.80000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    47    70.00000  112.88000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    43    63.00000  120.00000
   76    47    54    60.00000  130.80000
   77    43    45    70.00000  120.00000
   43    41    42    63.00000  120.00000
   43    77    78    35.00000  120.00000
   43    45    46    35.00000  109.50000
   43    45    50    70.00000  112.17500
   43    45    52    90.00000  112.51600
   45    50    51    37.50000  110.70000
   45    50    57    50.00000  109.50000
   45    52    53    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    57    58    55.00000  108.50000
   57    50    51    35.00000  109.50000
   52    45    46    35.00000  109.50000
   52    45    50    50.00000  109.50000
   47    42    44    60.00000  122.76000
   47    76    77    70.00000  112.88000
   54    64    65    70.00000  112.88000
   54    71    72    70.00000  112.88000
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   0.01700  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    45   0.44750  1.0 1.0
   29    33    50    45  -0.17800 -1.0 2.0
   29    33    50    45   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    57   0.56750  1.0 1.0
   29    33    50    57  -0.07550 -1.0 2.0
   29    33    50    57   0.20000  1.0 3.0
   33    38    41    42   0.04150 -1.0 2.0
   33    38    41    43   0.04150 -1.0 2.0
   33    50    57    58  -0.11600  1.0 1.0
   33    50    57    58  -0.09450 -1.0 2.0
   33    50    57    58   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.43200  1.0 3.0
   34    33    50    45   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    57   0.23400  1.0 3.0
   38    33    50    45   0.56750  1.0 1.0
   38    33    50    45  -0.07550 -1.0 2.0
   38    33    50    45   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    57   0.86500  1.0 1.0
   38    33    50    57  -0.17500 -1.0 2.0
   38    33    50    57   0.20800  1.0 3.0
   38    41    42    44   3.62500 -1.0 2.0
   38    41    42    47   3.62500 -1.0 2.0
   38    41    43    77   3.62500 -1.0 2.0
   38    41   -43    45   3.62500 -1.0 2.0
   39    38    41    42   0.64500  1.0 1.0
   39    38    41    42   0.14800 -1.0 2.0
   39    38    41    42   0.20650  1.0 3.0
   39    38    41    43   0.64500  1.0 1.0
   39    38    41    43   0.14800 -1.0 2.0
   39    38    41    43   0.20650  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    42    44    48  -0.19450  1.0 1.0
   41    42    44    48   0.63300 -1.0 2.0
   41    42    44    48   0.07450  1.0 3.0
   41    42    44    63  -0.19450  1.0 1.0
   41    42    44    63   0.63300 -1.0 2.0
   41    42    44    63   0.07450  1.0 3.0
   41    42    47    76   3.62500 -1.0 2.0
   41    42    47    54   3.62500 -1.0 2.0
   41    43    45    46   0.00000  1.0 1.0
   41    43    45    50   0.04150 -1.0 2.0
   41    43    45    52   0.14300 -1.0 2.0
   41    43    45    52   0.00300  1.0 3.0
   42    41    43    77   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   42    44    48    49   3.62500 -1.0 2.0
   42    44    48    55   3.62500 -1.0 2.0
   42    44    63    61   3.62500 -1.0 2.0
   42    44    63    64   3.62500 -1.0 2.0
   42    47   -54    64   3.62500 -1.0 2.0
   42    47    54    71   3.62500 -1.0 2.0
   44    42    47    76   3.62500 -1.0 2.0
   44    42    47    54   3.62500 -1.0 2.0
   44    48    55    56   3.62500 -1.0 2.0
   44    48    55    59   3.62500 -1.0 2.0
   44    63    64    65  -0.19450  1.0 1.0
   44    63    64    65   0.63300 -1.0 2.0
   44    63    64    65   0.07450  1.0 3.0
   44    63   -64    54  -0.19450  1.0 1.0
   44    63   -64    54   0.63300 -1.0 2.0
   44    63   -64    54   0.07450  1.0 3.0
   48    44    63    61   3.62500 -1.0 2.0
   48    44    63    64   3.62500 -1.0 2.0
   48    55    59    60   3.62500 -1.0 2.0
   48    55   -59    61   3.62500 -1.0 2.0
   49    48    55    56   3.62500 -1.0 2.0
   49    48    55    59   3.62500 -1.0 2.0
   55    59    61    62   3.62500 -1.0 2.0
   55    59    61    63   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   59    61   -63    44   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65  -0.19450  1.0 1.0
   61    63    64    65   0.63300 -1.0 2.0
   61    63    64    65   0.07450  1.0 3.0
   61    63    64    54  -0.19450  1.0 1.0
   61    63    64    54   0.63300 -1.0 2.0
   61    63    64    54   0.07450  1.0 3.0
   62    61    63    44   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    44    48    49   3.62500 -1.0 2.0
   63    44   -48    55   3.62500 -1.0 2.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    67   3.62500 -1.0 2.0
   63    64    54    71   3.62500 -1.0 2.0
   63    64    54    47   3.62500 -1.0 2.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   65    64    54    71   3.62500 -1.0 2.0
   65    64    54    47   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67   -69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    54   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    74   3.62500 -1.0 2.0
   69    71   -54    64   3.62500 -1.0 2.0
   69    71    54    47   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    54   3.62500 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    54    64   3.62500 -1.0 2.0
   72    71    54    47   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    47   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    43   3.62500 -1.0 2.0
   74    76    47    42   3.62500 -1.0 2.0
   74    76    47    54   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    47   3.62500 -1.0 2.0
   76    77   -43    41   3.62500 -1.0 2.0
   76    77    43    45   3.62500 -1.0 2.0
   76    47    54    64   3.62500 -1.0 2.0
   76    47   -54    71   3.62500 -1.0 2.0
   77    76   -47    42   3.62500 -1.0 2.0
   77    76    47    54   3.62500 -1.0 2.0
   77    43    45    46   0.00000  1.0 1.0
   77    43    45    50   0.04150 -1.0 2.0
   77    43    45    52   0.14300 -1.0 2.0
   77    43    45    52   0.00300  1.0 3.0
   78    77    43    41   3.62500 -1.0 2.0
   78    77    43    45   3.62500 -1.0 2.0
   43    41    42    44   3.62500 -1.0 2.0
   43    41    42    47   3.62500 -1.0 2.0
   43    45   -50    33  -0.03700  1.0 1.0
   43    45   -50    33   0.37200 -1.0 2.0
   43    45   -50    33  -0.47300  1.0 3.0
   43    45    50    51   0.43200  1.0 3.0
   43    45    50    57   1.13150  1.0 1.0
   43    45    50    57  -1.01400 -1.0 2.0
   43    45    52    53   0.31900  1.0 1.0
   43    45    52    53  -0.11800 -1.0 2.0
   43    45    52    53   0.38750  1.0 3.0
   45    50    57    58  -0.11600  1.0 1.0
   45    50    57    58  -0.09450 -1.0 2.0
   45    50    57    58   0.21250  1.0 3.0
   46    45    50    33   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    57   0.23400  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   50    33    38    39   0.62750  1.0 1.0
   50    33    38    39  -0.30950 -1.0 2.0
   50    33    38    39   0.27300  1.0 3.0
   50    33    38    40   0.15000  1.0 3.0
   50    33   -38    41  -0.03700  1.0 1.0
   50    33   -38    41   0.37200 -1.0 2.0
   50    33   -38    41  -0.47300  1.0 3.0
   50    45    52    53  -0.11600  1.0 1.0
   50    45    52    53  -0.09450 -1.0 2.0
   50    45    52    53   0.21250  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   52    45    50    33   0.86500  1.0 1.0
   52    45    50    33  -0.17500 -1.0 2.0
   52    45    50    33   0.20800  1.0 3.0
   52    45    50    51   0.23400  1.0 3.0
   52    45    50    57   3.75450  1.0 1.0
   47    42    44    48  -0.19450  1.0 1.0
   47    42    44    48   0.63300 -1.0 2.0
   47    42    44    48   0.07450  1.0 3.0
   47    42   -44    63  -0.19450  1.0 1.0
   47    42   -44    63   0.63300 -1.0 2.0
   47    42   -44    63   0.07450  1.0 3.0
   47    76    77    78   3.62500 -1.0 2.0
   47    76   -77    43   3.62500 -1.0 2.0
   54    64    65    66   3.62500 -1.0 2.0
   54    64   -65    67   3.62500 -1.0 2.0
   54    71    72    73   3.62500 -1.0 2.0
   54    71   -72    74   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
   42    43    41    38   4.00000 -1.0 2.0
   44    47    42    41   4.00000 -1.0 2.0
   48    63    44    42   4.00000 -1.0 2.0
   55    49    48    44   1.10000 -1.0 2.0
   59    56    55    48   1.10000 -1.0 2.0
   61    60    59    55   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    64    63    44   4.00000 -1.0 2.0
   65    54    64    63   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    54    71    69   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    47    76    74   4.00000 -1.0 2.0
   43    78    77    76   1.10000 -1.0 2.0
   77    45    43    41   4.00000 -1.0 2.0
   76    54    47    42   4.00000 -1.0 2.0
   71    47    54    64   4.00000 -1.0 2.0
END
