* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    153    239     453
    1     0 S   NP   _N1_     1    29.65459    93.30653   -25.96147
    2     1 S   H    _HN1     2     1.02794   110.10103  -128.14258
    3     1 S   H    _H1_     3     1.02948    97.32300   -15.47831
    4     1 S   H    _H2_     4     1.02829     9.92811   153.06773
    5     1 S   CT   _CA1     5     1.50109   117.21042   102.03832
    6     5 S   HC   _HA1     6     1.09559   105.23482    67.48080
    7     5 S   CO3  _C1_     7     1.53842   112.47629   -52.93802
    8     7 S   O2Z  _O11     8     1.26381   115.01091   -40.76064
    9     7 S   O2Z  _O12     9     1.26230   114.98334   138.41821
   10     5 S   CT   _CB1    10     1.53049   107.43521  -174.30577
   11    10 S   HC   HB11    11     1.09838   109.67983   -47.64278
   12    10 S   HC   HB12    12     1.09759   110.23518    68.89479
   13    10 S   CT   _CG1    13     1.53015   112.60780  -168.44936
   14    13 S   HC   HG11    14     1.09558   110.85719   -62.28019
   15    13 S   HC   HG12    15     1.09645   109.67592    56.99253
   16    13 S   C    _CD1    16     1.51717   111.96823   177.95302
   17    16 S   O    _OE1    17     1.22758   123.09861    14.57636
   18    16 S   N    _N2_    18     1.38663   111.95701  -166.37400
   19    18 S   H    _HN2    19     1.01562   119.15270     3.42983
   20    18 S   CT1  _CA2    20     1.46113   123.21054  -179.31300
   21    20 S   HC   _HA2    21     1.09591   109.05016     8.18067
   22    20 S   C    _C2_    22     1.53618   109.64627  -107.14312
   23    22 S   O    _O2_    23     1.23100   122.01139  -151.65276
   24    20 S   CT   _CB2    32     1.53494   111.85273   130.07978
   25    24 S   HC   HB21    33     1.09661   109.54109    69.12600
   26    24 S   HC   HB22    34     1.09581   110.67935  -173.77257
   27    22 S   N    _N3_    24     1.38238   114.03123    35.75752
   28    27 S   H    _HN3    25     1.01545   119.63549    -3.25750
   29    24 S   S    _SG2    35     1.82781   115.03200   -50.38950
   30    27 S   CT   _CA3    26     1.45291   123.27066   177.13885
   31    30 S   HC   HA31    27     1.09548   107.52117   -64.49527
   32    30 S   HC   HA32    28     1.09555   107.98715    51.96193
   33    29 S   CT   _C19    36     1.82192   100.21604   -64.17170
   34    33 S   HC   _H3_    37     1.09436   108.05370   -64.06958
   35    33 S   HC   _H4_    38     1.09175   110.33505    52.95140
   36    30 S   CO3  _C3_    29     1.52972   114.03751   173.95467
   37    36 S   O2Z  _O31    30     1.26385   116.05927    -0.47847
   38    36 S   O2Z  _O32    31     1.26420   114.42560   179.58035
   39    33 S   CM   _C4_    39     1.50213   109.91121   173.69877
   40    39 S   CMA  _C5_    40     1.34937   127.49937   110.81603
   41    40 S   OM   _O18    41     1.26272   128.19336     0.95162
   42    40 S   OS   _O21    42     1.41897   109.38413  -179.81762
   43    42 S   CT   _C15    43     1.44147   106.27430    16.89766
   44    43 S   HC   _H35    44     1.10244   105.36082    84.56276
   45    39 S   CT   _C12    45     1.50431   121.13470   -70.92559
   46    45 S   HC   _H32    46     1.09654   110.46910    49.45550
   47    43 S   CT   _C16    65     1.55202   111.41804  -158.68750
   48    45 S   CT   _C10    47     1.53369   111.80076   -72.62043
   49    48 S   HC   _H28    48     1.09690   109.07175    43.76944
   50    48 S   HC   _H29    49     1.09336   111.97062   -72.24463
   51    47 S   CT   _C20    66     1.54648   114.75292    27.71465
   52    51 S   HC   _H44    67     1.09526   111.11208   176.37518
   53    51 S   HC   _H45    68     1.09119   110.53241    54.95243
   54    48 S   CT   _C11    50     1.52860   112.74243   161.16463
   55    54 S   HC   _H30    51     1.09801   108.31943  -161.82175
   56    54 S   HC   _H31    52     1.09795   108.70664   -47.92553
   57    51 S   OS   _O22    69     1.44176   111.32024   -64.18958
   58    54 S   CT   _C14    53     1.53573   116.57385    75.19969
   59    58 S   HC   _H34    54     1.10073   105.12028  -166.58467
   60    57 S   CO4  _C7_    70     1.36123   116.03376   175.37073
   61    60 S   O    _O20    71     1.22345   126.27709     1.73562
   62    58 S   CT   _C13    55     1.54383   112.94085   -52.43592
   63    62 S   HC   _H33    56     1.10309   105.61210   -53.11383
   64    60 S   CT   _C17    72     1.49815   109.52295  -178.40259
   65    64 S   HC   _H36    73     1.09288   109.82717   -61.47137
   66    64 S   HC   _H37    74     1.09376   109.36769   179.42563
   67    64 S   HC   _H38    75     1.09299   109.81117    60.41346
   68    58 S   CT   _C18    76     1.53159   110.59828    81.47980
   69    68 S   HC   _H39    77     1.09094   112.92311   -52.95116
   70    68 S   HC   _H40    78     1.09248   112.33560  -176.48158
   71    68 S   HC   _H41    79     1.09688   109.61289    65.16900
   72    62 S   CT   _C9_    57     1.53668   112.67316  -167.41517
   73    72 S   HC   _H26    58     1.09495   112.09886    63.84181
   74    72 S   HC   _H27    59     1.09444   112.16488   -57.32306
   75    72 S   CT   _C8_    60     1.51810   104.06204  -175.80955
   76    75 S   HC   _H24    61     1.09382   111.39492   -85.02435
   77    75 S   HC   _H25    62     1.09212   111.88045   150.41173
   78    75 S   CO4  _C6_    63     1.50668   102.42841    31.20486
   79    78 S   O    _O19    64     1.22662   122.17418   171.37477
  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  19   7  12   5  20   9
   5   4  13   5   4  11   5   4   8  12   7   5   4  13   6   3
   2   1   1   4   2   1   1   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49    50    54    47  
   41    42    43    44    45    46    48    47  
   42    43    45  
   43    44    45    46    48    62    78    47    51  
   44    45    46    48    49    50    54    58    62    63    72    75    78    79    47    51    52    53    57  
   45    46    48    62    78    47    51  
   46    48    49    50    54    55    56    58    62    78    47    51  
   48    49    50    54    47  
   51    52    53    57    60    68    48    54    58    59    62    63    72    73    74    75    76    77    78    79  
   49    50    54    55    56    58    59    62    68  
   50    54    55    56    58  
   54    55    56    58  
   52    53    57    60    61    64    58    62    63    72    75    78    79  
   53    57    60    62    78  
   57    60    62    78  
   55    56    58    59    62    63    72    68    69    70    71  
   56    58    59    62    68  
   58    59    62    68  
   60    61    64    65    66    67    62    78  
   59    62    63    72    73    74    75    78    68    69    70    71  
   62    63    72    68    69    70    71  
   61    64    65    66    67  
   64    65    66    67  
   63    72    73    74    75    76    77    78    79    68    69    70    71  
   72    73    74    75    78    68  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    47   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    68   268.000  1.529
   62    63   340.000  1.090
   62    72   268.000  1.529
   62    47   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    47   317.000  1.522
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   320.000  1.410
   57    60   214.000  1.327
   60    61   570.000  1.229
   60    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
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    48    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    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    47    62    58.35000  112.70000
   43    47    78    63.00000  111.10000
   43    47    51    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    54    58.35000  112.70000
   48    45    46    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    58    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    72    58.35000  112.70000
   58    62    47    58.35000  112.70000
   58    68    69    37.50000  110.70000
   58    68    70    37.50000  110.70000
   58    68    71    37.50000  110.70000
   62    58    59    37.50000  110.70000
   62    72    73    37.50000  110.70000
   62    72    74    37.50000  110.70000
   62    72    75    58.35000  112.70000
   62    47    78    63.00000  111.10000
   62    47    51    58.35000  112.70000
   72    62    63    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    80.00000  120.40000
   75    78    47    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    47    51    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    62    63    37.50000  110.70000
   47    62    72    58.35000  112.70000
   47    78    79    80.00000  120.40000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    57    50.00000  109.50000
   51    57    60    83.00000  116.90000
   53    51    52    33.00000  107.80000
   57    51    52    35.00000  109.50000
   57    51    53    35.00000  109.50000
   57    60    61    83.00000  123.40000
   57    60    64    81.00000  111.40000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   64    60    61    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    58    59    37.50000  110.70000
   68    58    62    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
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    48   0.46850  1.0 1.0
   33    39    45    48   0.08550 -1.0 2.0
   33    39    45    48   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    48    49   0.15000  1.0 3.0
   39    45    48    50   0.15000  1.0 3.0
   39    45    48    54   0.34400  1.0 1.0
   39    45    48    54   0.09450 -1.0 2.0
   39    45    48    54   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    48   0.09850  1.0 1.0
   40    39    45    48   0.15250 -1.0 2.0
   40    39    45    48  -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    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -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    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43    47    62   0.62750  1.0 1.0
   42    43    47    62  -0.30950 -1.0 2.0
   42    43    47    62   0.27300  1.0 3.0
   42    43    47    78  -0.09450  1.0 1.0
   42    43    47    78  -1.12950 -1.0 2.0
   42    43    47    78   0.54000  1.0 3.0
   42    43    47    51   0.62750  1.0 1.0
   42    43    47    51  -0.30950 -1.0 2.0
   42    43    47    51   0.27300  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   43    45    48    54   0.56750  1.0 1.0
   43    45    48    54  -0.07550 -1.0 2.0
   43    45    48    54   0.20000  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    57   0.62750  1.0 1.0
   43    47    51    57  -0.30950 -1.0 2.0
   43    47    51    57   0.27300  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    48   0.15000  1.0 3.0
   44    43    47    62   0.15000  1.0 3.0
   44    43    47    78  -0.11250  1.0 3.0
   44    43    47    51   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    47    62   0.56750  1.0 1.0
   45    43    47    62  -0.07550 -1.0 2.0
   45    43    47    62   0.20000  1.0 3.0
   45    43    47    78  -0.95700  1.0 1.0
   45    43    47    78  -0.18200 -1.0 2.0
   45    43    47    78   0.29450  1.0 3.0
   45    43    47    51   0.56750  1.0 1.0
   45    43    47    51  -0.07550 -1.0 2.0
   45    43    47    51   0.20000  1.0 3.0
   45    48    54    55   0.15000  1.0 3.0
   45    48    54    56   0.15000  1.0 3.0
   45    48    54    58   0.56750  1.0 1.0
   45    48    54    58  -0.07550 -1.0 2.0
   45    48    54    58   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    54   0.15000  1.0 3.0
   48    54    58    59   0.15000  1.0 3.0
   48    54    58    62   0.56750  1.0 1.0
   48    54    58    62  -0.07550 -1.0 2.0
   48    54    58    62   0.20000  1.0 3.0
   48    54    58    68   0.56750  1.0 1.0
   48    54    58    68  -0.07550 -1.0 2.0
   48    54    58    68   0.20000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    58   0.15000  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    58   0.15000  1.0 3.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    72   0.56750  1.0 1.0
   54    58    62    72  -0.07550 -1.0 2.0
   54    58    62    72   0.20000  1.0 3.0
   54    58    62    47   0.56750  1.0 1.0
   54    58    62    47  -0.07550 -1.0 2.0
   54    58    62    47   0.20000  1.0 3.0
   54    58    68    69   0.15000  1.0 3.0
   54    58    68    70   0.15000  1.0 3.0
   54    58    68    71   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    58    68   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    62   0.15000  1.0 3.0
   56    54    58    68   0.15000  1.0 3.0
   58    62    72    73   0.15000  1.0 3.0
   58    62    72    74   0.15000  1.0 3.0
   58    62    72    75   0.56750  1.0 1.0
   58    62    72    75  -0.07550 -1.0 2.0
   58    62    72    75   0.20000  1.0 3.0
   58    62    47    43   0.56750  1.0 1.0
   58    62    47    43  -0.07550 -1.0 2.0
   58    62    47    43   0.20000  1.0 3.0
   58    62    47    78  -0.95700  1.0 1.0
   58    62    47    78  -0.18200 -1.0 2.0
   58    62    47    78   0.29450  1.0 3.0
   58    62    47    51   0.56750  1.0 1.0
   58    62    47    51  -0.07550 -1.0 2.0
   58    62    47    51   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    72   0.15000  1.0 3.0
   59    58    62    47   0.15000  1.0 3.0
   59    58    68    69   0.15000  1.0 3.0
   59    58    68    70   0.15000  1.0 3.0
   59    58    68    71   0.15000  1.0 3.0
   62    58    68    69   0.15000  1.0 3.0
   62    58    68    70   0.15000  1.0 3.0
   62    58    68    71   0.15000  1.0 3.0
   62    72    75    76   0.15000  1.0 3.0
   62    72    75    77   0.15000  1.0 3.0
   62    72   -75    78  -0.95700  1.0 1.0
   62    72   -75    78  -0.18200 -1.0 2.0
   62    72   -75    78   0.29450  1.0 3.0
   62    47    51    52   0.15000  1.0 3.0
   62    47    51    53   0.15000  1.0 3.0
   62    47    51    57   0.62750  1.0 1.0
   62    47    51    57  -0.30950 -1.0 2.0
   62    47    51    57   0.27300  1.0 3.0
   63    62    72    73   0.15000  1.0 3.0
   63    62    72    74   0.15000  1.0 3.0
   63    62    72    75   0.15000  1.0 3.0
   63    62    47    43   0.15000  1.0 3.0
   63    62    47    78  -0.11250  1.0 3.0
   63    62    47    51   0.15000  1.0 3.0
   72    62    47    43   0.56750  1.0 1.0
   72    62    47    43  -0.07550 -1.0 2.0
   72    62    47    43   0.20000  1.0 3.0
   72    62   -47    78  -0.95700  1.0 1.0
   72    62   -47    78  -0.18200 -1.0 2.0
   72    62   -47    78   0.29450  1.0 3.0
   72    62    47    51   0.56750  1.0 1.0
   72    62    47    51  -0.07550 -1.0 2.0
   72    62    47    51   0.20000  1.0 3.0
   72    75    78    79   0.30150 -1.0 2.0
   72    75   -78    47   0.60050  1.0 1.0
   72    75   -78    47   0.05600 -1.0 2.0
   72    75   -78    47   0.26150  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78  -0.11250  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78  -0.11250  1.0 3.0
   75    78    47    43   0.60050  1.0 1.0
   75    78    47    43   0.05600 -1.0 2.0
   75    78    47    43   0.26150  1.0 3.0
   75    78   -47    62   0.60050  1.0 1.0
   75    78   -47    62   0.05600 -1.0 2.0
   75    78   -47    62   0.26150  1.0 3.0
   75    78    47    51   0.60050  1.0 1.0
   75    78    47    51   0.05600 -1.0 2.0
   75    78    47    51   0.26150  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    47   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    47   0.00000  1.0 1.0
   78    47    51    52  -0.11250  1.0 3.0
   78    47    51    53  -0.11250  1.0 3.0
   78    47    51    57  -0.09450  1.0 1.0
   78    47    51    57  -1.12950 -1.0 2.0
   78    47    51    57   0.54000  1.0 3.0
   79    78    47    43   0.30150 -1.0 2.0
   79    78    47    62   0.30150 -1.0 2.0
   79    78    47    51   0.30150 -1.0 2.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    48   0.56750  1.0 1.0
   47    43    45    48  -0.07550 -1.0 2.0
   47    43    45    48   0.20000  1.0 3.0
   47    62    72    73   0.15000  1.0 3.0
   47    62    72    74   0.15000  1.0 3.0
   47    62   -72    75   0.56750  1.0 1.0
   47    62   -72    75  -0.07550 -1.0 2.0
   47    62   -72    75   0.20000  1.0 3.0
   47    51    57    60  -0.25900  1.0 1.0
   47    51    57    60  -0.47000 -1.0 2.0
   47    51    57    60   0.11750  1.0 3.0
   51    57    60    61   3.00000 -1.0 2.0
   51    57    60    64   1.63150  1.0 1.0
   51    57    60    64   2.92000 -1.0 2.0
   52    51    57    60   0.08050  1.0 3.0
   53    51    57    60   0.08050  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    66   0.00000  1.0 1.0
   57    60    64    67   0.00000  1.0 1.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    67   0.00000  1.0 1.0
   68    58    62    63   0.15000  1.0 3.0
   68    58    62    72   0.56750  1.0 1.0
   68    58    62    72  -0.07550 -1.0 2.0
   68    58    62    72   0.20000  1.0 3.0
   68    58    62    47   0.56750  1.0 1.0
   68    58    62    47  -0.07550 -1.0 2.0
   68    58    62    47   0.20000  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
   75    47    78    79  10.50000 -1.0 2.0
   57    64    60    61  10.50000 -1.0 2.0
END
