* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.83029    94.84611   -19.72862
    2     1 S   H    _HN1     2     1.02961    96.65520    37.34562
    3     1 S   H    _H1_     3     1.02833    35.47676   147.30058
    4     1 S   H    _H2_     4     1.02771    79.75425   -70.22707
    5     1 S   CT   _CA1     5     1.50191   143.63943   175.79989
    6     5 S   HC   _HA1     6     1.09552   105.22437    42.12486
    7     5 S   CO3  _C1_     7     1.54012   112.44330   -78.13751
    8     7 S   O2Z  _O11     8     1.26391   115.03674   -34.49209
    9     7 S   O2Z  _O12     9     1.26258   115.09154   144.70348
   10     5 S   CT   _CB1    10     1.53124   107.40224   160.43094
   11    10 S   HC   HB11    11     1.09818   109.83136   -44.64650
   12    10 S   HC   HB12    12     1.09834   110.09583    71.96592
   13    10 S   CT   _CG1    13     1.53065   112.74468  -165.61616
   14    13 S   HC   HG11    14     1.09435   110.53084   -54.30898
   15    13 S   HC   HG12    15     1.09605   110.23431    64.68566
   16    13 S   C    _CD1    16     1.51792   111.79023  -175.30289
   17    16 S   O    _OE1    17     1.22757   122.95769   -22.28128
   18    16 S   N    _N2_    18     1.38580   111.91499   158.62184
   19    18 S   H    _HN2    19     1.01569   119.08664     2.13166
   20    18 S   CT1  _CA2    20     1.46241   123.42877  -176.02103
   21    20 S   HC   _HA2    21     1.09728   109.38500   -16.76144
   22    20 S   C    _C2_    22     1.53353   108.24572  -132.62129
   23    22 S   O    _O2_    23     1.23002   122.30608  -145.04980
   24    20 S   CT   _CB2    32     1.53527   111.11827   105.33687
   25    24 S   HC   HB21    33     1.09465   109.64182    55.15937
   26    24 S   HC   HB22    34     1.09512   110.69227   173.56608
   27    22 S   N    _N3_    24     1.38528   113.28136    42.26304
   28    27 S   H    _HN3    25     1.01537   118.90999    -0.44279
   29    24 S   S    _SG2    35     1.82792   111.62746   -67.22516
   30    27 S   CT   _CA3    26     1.45445   123.38456   175.18037
   31    30 S   HC   HA31    27     1.09528   109.15594    25.82624
   32    30 S   HC   HA32    28     1.09493   107.13853   142.81412
   33    29 S   CT   _C25    36     1.84215   100.13880   153.07992
   34    33 S   HC   _H3_    37     1.09771   107.00309    42.37024
   35    30 S   CO3  _C3_    29     1.52930   113.18484   -97.59825
   36    35 S   O2Z  _O31    30     1.26396   115.43665   -43.90442
   37    35 S   O2Z  _O32    31     1.26360   114.96277   137.04619
   38    33 S   CT   _C23    38     1.54624   109.72535   158.62536
   39    38 S   HC   _H38    39     1.09375   106.13933   -48.78001
   40    33 S   CT   _C24    70     1.53175   112.99153   -77.16067
   41    40 S   HC   _H39    71     1.09587   110.17957    52.57281
   42    38 S   CA   _C21    40     1.52156   115.83900    73.45817
   43    40 S   OH   _O25    72     1.43236   108.54009   167.38379
   44    43 S   HO   _H43    73     0.97259   107.78693  -176.41275
   45    38 S   OH   _O24    76     1.43005   109.39365  -165.86889
   46    45 S   HO   _H42    77     0.97189   108.04642    49.06130
   47    42 S   CA   _C19    41     1.47412   122.04461  -154.11242
   48    47 S   CA   _C15    42     1.42279   114.19304   173.27005
   49    48 S   CA   _C9_    43     1.38817   121.69600  -174.33085
   50    49 S   HA   _H32    44     1.08966   120.97812   178.86823
   51    48 S   CA   _C12    63     1.39654   122.80687     5.38325
   52    51 S   HA   _H35    64     1.08931   121.02322   178.48393
   53    49 S   CA   _C11    45     1.38473   121.42609    -0.19584
   54    53 S   HA   _H34    46     1.08613   115.74108   178.90836
   55    51 S   CA   _C13    65     1.38009   121.27318    -1.73641
   56    55 S   HA   _H36    66     1.08805   118.97829   179.94405
   57    53 S   CA   _C17    47     1.39877   122.26427    -3.06842
   58    42 S   CA   _C20    67     1.42479   116.24101    24.60128
   59    57 S   CA   _C16    48     1.45084   120.28724  -178.16368
   60    47 S   CA   _C18    62     1.49047   130.42710    -5.98959
   61    58 S   CT   _C22    68     1.51715   124.51207     1.59888
   62    61 S   HC   _H37    69     1.09806   107.32695   123.75684
   63    59 S   CA   _C7_    49     1.42349   125.26841    -3.74214
   64    63 S   HA   _H30    50     1.08662   121.23261    -0.59578
   65    61 S   OH   _O23    74     1.43109   107.57945  -121.05255
   66    65 S   HO   _H41    75     0.97281   107.42824  -158.68487
   67    63 S   CA   _C5_    51     1.39910   122.76266   179.86583
   68    67 S   HA   _H28    52     1.08624   119.93109   179.88131
   69    67 S   CA   _C4_    53     1.38426   119.90253    -0.07133
   70    69 S   HA   _H27    54     1.08558   120.41504  -179.94766
   71    69 S   CA   _C6_    55     1.38967   119.26440     0.01978
   72    71 S   HA   _H29    56     1.08856   118.48619  -179.86152
   73    59 S   CA   _C14    57     1.40978   119.16784   176.11445
   74    73 S   CA   _C8_    58     1.38460   119.04412    -0.56855
   75    74 S   HA   _H31    59     1.08870   120.83366  -178.01042
   76    74 S   CA   _C10    60     1.39714   120.86847     1.57446
   77    76 S   HA   _H33    61     1.07910   113.52954  -176.72703
  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
  15   8   2   1   1  13   6  11   6  15   5   1   3   1  15  12
   9   4   7   3   7   3   5   2  10   5  12   6   3   2   8   4
   1   1   6   3   5   3   5   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    61    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    58    61    62    40    41    43    44    65    45    46  
   38    39    42    61    40    41    43    45  
   36    37  
   37  
    0  
   39    42    47    48    60    55    58    61    40    41    43    45    46  
   42    47    58    40    45    46  
   41    43    44    65    66    45    42    55    58    61    62  
   43    44    65    58    61    62  
   47    48    49    57    76    60    51    55    56    58    61    62    65    45    46  
   44    65    58    61    62  
   61  
   46    47    58  
    0  
   48    49    50    53    57    59    74    76    77    60    51    52    55    58    61  
   49    50    53    54    57    76    60    51    52    55    56    58  
   50    53    54    57    59    60    51    52    55  
   53    54    57    51  
   52    55    56    58    61    53    60  
   55    56    58  
   54    57    59    63    73    76    60  
   57    59    60  
   56    58    61    62    65  
   58    61  
   59    63    64    67    71    73    74    76    77    60  
   61    62    65    66    60  
   63    64    67    68    69    71    72    73    74    75    76    60  
   63    73    74    75    76    77  
   62    65    66  
   65    66  
   64    67    68    69    70    71    73    74  
   67    68    69    73  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74  
   71    72    73  
   72    73    74    75    76  
   73    74  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    45   320.000  1.410
   42    47   469.000  1.400
   42    58   469.000  1.400
   47    48   469.000  1.400
   47    60   469.000  1.400
   48    49   469.000  1.400
   48    51   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    59   469.000  1.400
   57    60   469.000  1.400
   59    63   469.000  1.400
   59    73   469.000  1.400
   63    64   367.000  1.080
   63    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   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    60   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    61   317.000  1.510
   61    62   340.000  1.090
   61    40   268.000  1.529
   61    65   320.000  1.410
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   65    66   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    38    45    50.00000  109.50000
   33    40    61    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    70.00000  120.00000
   38    42    58    70.00000  120.00000
   38    45    46    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    47    48    63.00000  120.00000
   42    47    60    63.00000  120.00000
   42    58    55    63.00000  120.00000
   42    58    61    70.00000  120.00000
   47    48    49    63.00000  120.00000
   47    48    51    63.00000  120.00000
   47    60    57    63.00000  120.00000
   47    60    76    63.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    53    63.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    57    59    63.00000  120.00000
   53    57    60    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    59    63    63.00000  120.00000
   57    59    73    63.00000  120.00000
   57    60    76    63.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    67    63.00000  120.00000
   59    73    71    63.00000  120.00000
   59    73    74    63.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    69    63.00000  120.00000
   67    63    64    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    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   73    59    63    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    60    63.00000  120.00000
   76    74    75    35.00000  120.00000
   60    47    48    63.00000  120.00000
   60    57    59    63.00000  120.00000
   60    76    77    35.00000  120.00000
   51    48    49    63.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    58    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    58    61    70.00000  120.00000
   58    42    47    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    40    70.00000  112.17500
   58    61    65    90.00000  112.51600
   61    40    41    37.50000  110.70000
   61    40    43    50.00000  109.50000
   61    65    66    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    61    62    37.50000  110.70000
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    40    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    90.00000  112.51600
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    47   0.04150 -1.0 2.0
   33    38    42    58   0.04150 -1.0 2.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    38    45   0.23400  1.0 3.0
   34    33    40    61   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    61   0.56750  1.0 1.0
   38    33    40    61  -0.07550 -1.0 2.0
   38    33    40    61   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.86500  1.0 1.0
   38    33    40    43  -0.17500 -1.0 2.0
   38    33    40    43   0.20800  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    60   3.62500 -1.0 2.0
   38    42    58    55   3.62500 -1.0 2.0
   38    42   -58    61   3.62500 -1.0 2.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    58   0.00000  1.0 1.0
   39    38    45    46   0.19450  1.0 3.0
   42    38    45    46   0.31900  1.0 1.0
   42    38    45    46  -0.11800 -1.0 2.0
   42    38    45    46   0.38750  1.0 3.0
   42    47    48    49   3.62500 -1.0 2.0
   42    47    48    51   3.62500 -1.0 2.0
   42    47    60    57   3.62500 -1.0 2.0
   42    47    60    76   3.62500 -1.0 2.0
   42    58    61    62   0.00000  1.0 1.0
   42    58    61    40   0.04150 -1.0 2.0
   42    58    61    65   0.14300 -1.0 2.0
   42    58    61    65   0.00300  1.0 3.0
   47    42    58    55   3.62500 -1.0 2.0
   47    42    58    61   3.62500 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48    49    53   3.62500 -1.0 2.0
   47    48    51    52   3.62500 -1.0 2.0
   47    48   -51    55   3.62500 -1.0 2.0
   48    47    60    57   3.62500 -1.0 2.0
   48    47    60    76   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49   -53    57   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   49    53    57    59   3.62500 -1.0 2.0
   49    53    57    60   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57    59    63   3.62500 -1.0 2.0
   53    57    59    73   3.62500 -1.0 2.0
   53    57   -60    47   3.62500 -1.0 2.0
   53    57    60    76   3.62500 -1.0 2.0
   54    53    57    59   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    59    63    64   3.62500 -1.0 2.0
   57    59    63    67   3.62500 -1.0 2.0
   57    59    73    71   3.62500 -1.0 2.0
   57    59    73    74   3.62500 -1.0 2.0
   59    57    60    47   3.62500 -1.0 2.0
   59    57    60    76   3.62500 -1.0 2.0
   59    63    67    68   3.62500 -1.0 2.0
   59    63    67    69   3.62500 -1.0 2.0
   59    73    74    75   3.62500 -1.0 2.0
   59    73   -74    76   3.62500 -1.0 2.0
   63    59    73    71   3.62500 -1.0 2.0
   63    59    73    74   3.62500 -1.0 2.0
   63    67    69    70   3.62500 -1.0 2.0
   63    67   -69    71   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    69   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   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   -73    59   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   72    71    73    59   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    59    63    64   3.62500 -1.0 2.0
   73    59   -63    67   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    60   3.62500 -1.0 2.0
   74    76    60    47   3.62500 -1.0 2.0
   74    76   -60    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    60   3.62500 -1.0 2.0
   77    76    60    47   3.62500 -1.0 2.0
   77    76    60    57   3.62500 -1.0 2.0
   60    47   -48    49   3.62500 -1.0 2.0
   60    47    48    51   3.62500 -1.0 2.0
   60    57    59    63   3.62500 -1.0 2.0
   60    57   -59    73   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    53   3.62500 -1.0 2.0
   51    55   -58    42   3.62500 -1.0 2.0
   51    55    58    61   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    58    61    62   0.00000  1.0 1.0
   55    58    61    40   0.04150 -1.0 2.0
   55    58    61    65   0.14300 -1.0 2.0
   55    58    61    65   0.00300  1.0 3.0
   56    55    58    42   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    42   -47    48   3.62500 -1.0 2.0
   58    42    47    60   3.62500 -1.0 2.0
   58    61   -40    33  -0.03700  1.0 1.0
   58    61   -40    33   0.37200 -1.0 2.0
   58    61   -40    33  -0.47300  1.0 3.0
   58    61    40    41   0.43200  1.0 3.0
   58    61    40    43   1.13150  1.0 1.0
   58    61    40    43  -1.01400 -1.0 2.0
   58    61    65    66   0.31900  1.0 1.0
   58    61    65    66  -0.11800 -1.0 2.0
   58    61    65    66   0.38750  1.0 3.0
   61    40    43    44  -0.11600  1.0 1.0
   61    40    43    44  -0.09450 -1.0 2.0
   61    40    43    44   0.21250  1.0 3.0
   62    61    40    33   0.15000  1.0 3.0
   62    61    40    41   0.15000  1.0 3.0
   62    61    40    43   0.23400  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.03700  1.0 1.0
   40    33   -38    42   0.37200 -1.0 2.0
   40    33   -38    42  -0.47300  1.0 3.0
   40    33    38    45   0.86500  1.0 1.0
   40    33    38    45  -0.17500 -1.0 2.0
   40    33    38    45   0.20800  1.0 3.0
   40    61    65    66  -0.11600  1.0 1.0
   40    61    65    66  -0.09450 -1.0 2.0
   40    61    65    66   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   65    61    40    33   0.86500  1.0 1.0
   65    61    40    33  -0.17500 -1.0 2.0
   65    61    40    33   0.20800  1.0 3.0
   65    61    40    41   0.23400  1.0 3.0
   65    61    40    43   3.75450  1.0 1.0
   45    38    42    47   0.14300 -1.0 2.0
   45    38    42    47   0.00300  1.0 3.0
   45    38    42    58   0.14300 -1.0 2.0
   45    38    42    58   0.00300  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
   37    30    35    36  10.50000 -1.0 2.0
   47    58    42    38   4.00000 -1.0 2.0
   48    60    47    42   4.00000 -1.0 2.0
   49    51    48    47   4.00000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   59    60    57    53   4.00000 -1.0 2.0
   63    73    59    57   4.00000 -1.0 2.0
   67    64    63    59   1.10000 -1.0 2.0
   69    68    67    63   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    59   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   60    77    76    74   1.10000 -1.0 2.0
   57    76    60    47   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   55    61    58    42   4.00000 -1.0 2.0
END
