* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    144    225     409
    1     0 S   NP   _N1_     1    28.66482    95.56637   -20.40221
    2     1 S   H    _HN1     2     1.02825    34.43682   171.60235
    3     1 S   H    _H1_     3     1.02767    86.86204   -59.47090
    4     1 S   H    _H2_     4     1.02960    89.04167    49.02840
    5     1 S   CT   _CA1     5     1.50289   145.08568   174.55810
    6     5 S   HC   _HA1     6     1.09596   104.96170    57.41188
    7     5 S   CO3  _C1_     7     1.53810   112.70000   -61.83710
    8     7 S   O2Z  _O11     8     1.26367   115.06977   -30.47119
    9     7 S   O2Z  _O12     9     1.26272   115.02063   148.29448
   10     5 S   CT   _CB1    10     1.53150   107.21784   174.88075
   11    10 S   HC   HB11    11     1.09791   108.75367   -50.56515
   12    10 S   HC   HB12    12     1.09813   110.43294    65.70584
   13    10 S   CT   _CG1    13     1.53013   113.08923  -172.06427
   14    13 S   HC   HG11    14     1.09541   110.10092   -71.23724
   15    13 S   HC   HG12    15     1.09667   110.15882    47.68134
   16    13 S   C    _CD1    16     1.51971   112.62681   167.15435
   17    16 S   O    _OE1    17     1.22724   123.19265   -15.01319
   18    16 S   N    _N2_    18     1.38571   111.75750   167.09342
   19    18 S   H    _HN2    19     1.01593   118.88284    -2.51474
   20    18 S   CT1  _CA2    20     1.46312   123.63795   176.65473
   21    20 S   HC   _HA2    21     1.09741   109.32002   -16.61048
   22    20 S   C    _C2_    22     1.53521   107.82858  -131.87946
   23    22 S   O    _O2_    23     1.23005   122.40916  -145.32124
   24    20 S   CT   _CB2    32     1.53317   111.55415   106.02598
   25    24 S   HC   HB21    33     1.09523   109.67275    50.33951
   26    24 S   HC   HB22    34     1.09499   110.89326   168.72076
   27    22 S   N    _N3_    24     1.38564   113.27289    42.06907
   28    27 S   H    _HN3    25     1.01532   118.87646    -0.58851
   29    24 S   S    _SG2    35     1.82863   111.77239   -72.67507
   30    27 S   CT   _CA3    26     1.45443   123.45087   175.07089
   31    30 S   HC   HA31    27     1.09525   109.19773    24.94091
   32    30 S   HC   HA32    28     1.09494   107.12350   141.95237
   33    29 S   CT   _C23    36     1.83418    99.90524   144.51152
   34    33 S   HC   _H3_    37     1.09814   102.90346    44.80148
   35    30 S   CO3  _C3_    29     1.52933   113.17720   -98.50354
   36    35 S   O2Z  _O31    30     1.26398   115.45160   -43.03132
   37    35 S   O2Z  _O32    31     1.26361   114.94938   137.90840
   38    33 S   CA   _C11    38     1.52196   114.61193   -70.73296
   39    33 S   CM   _C16    52     1.51460   111.56546   158.81443
   40    38 S   CA   _C5_    39     1.41779   118.74218   138.26846
   41    40 S   HA   _H29    40     1.08818   119.91454    -0.41496
   42    39 S   CMA  _C17    53     1.35421   131.17114    60.84935
   43    42 S   OM   _O21    54     1.26240   128.68027    -1.49515
   44    40 S   CA   _C7_    41     1.39850   121.49445   179.67494
   45    44 S   HA   _H31    42     1.08391   120.88909   179.73905
   46    42 S   OS   _O26    55     1.42516   109.52540   179.55633
   47    44 S   CA   _C13    43     1.37697   117.68320    -0.35166
   48    46 S   CT   _C18    56     1.43206   105.28410   -18.61802
   49    48 S   HC   _H34    57     1.09801   108.04115   -89.94653
   50    48 S   HC   _H35    58     1.09350   109.21259   153.16930
   51    47 S   CA   _C15    44     1.37337   121.58411    -0.28116
   52    39 S   CT   _C21    59     1.50261   118.16825  -119.49590
   53    52 S   HC   _H40    60     1.09607   111.63427   -46.97850
   54    38 S   CA   _C9_    45     1.40575   122.48104   -43.13444
   55    54 S   HA   _H33    46     1.08477   121.78323     0.32203
   56    51 S   OS   _O25    47     1.36002   112.38248  -179.73166
   57    52 S   CT   _C22    61     1.53927   111.52692    77.83748
   58    57 S   HC   _H41    62     1.09841   110.57721    62.40015
   59    57 S   HC   _H42    63     1.09803   110.39623   -53.86761
   60    56 S   CO   _C20    48     1.44141   101.01628    -0.55426
   61    60 S   HC   _H38    49     1.09578   108.81963  -119.99154
   62    60 S   HC   _H39    50     1.09597   108.68514   121.74404
   63    57 S   CA   _C10    64     1.51152   112.94975  -174.10844
   64    47 S   OS   _O23    51     1.36055   126.03835   179.94405
   65    63 S   CA   _C4_    65     1.41384   120.03819    72.11420
   66    65 S   HA   _H28    66     1.08787   119.91313     0.22468
   67    65 S   CA   _C6_    67     1.39768   121.06305  -179.86583
   68    67 S   HA   _H30    68     1.08401   120.89124   179.98022
   69    67 S   CA   _C12    69     1.37824   117.68963    -0.06256
   70    69 S   CA   _C14    70     1.37494   121.72571    -0.04846
   71    63 S   CA   _C8_    71     1.40345   120.38571  -107.94961
   72    71 S   HA   _H32    72     1.08506   121.29115     0.06256
   73    70 S   OS   _O24    73     1.36100   112.33824  -180.00000
   74    73 S   CO   _C19    74     1.44222   100.97287     0.00000
   75    74 S   HC   _H36    75     1.09608   108.66927  -120.93752
   76    74 S   HC   _H37    76     1.09609   108.67069   120.91152
   77    69 S   OS   _O22    77     1.36068   125.90121   180.00000
  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   8   5   4   3
  16   6   2   1   1  12  14   8   4   8   3   7   3   6   8   8
   4   3   7   7   4   4   1   4   9   4   3   3   2   1   9   1
   8   4   7   3   8   7   4   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    54    39    42    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    51    54    55    39    42    43    46    48    52    53    57  
   38    40    54    39    42    52  
   36    37  
   37  
    0  
   40    41    44    45    47    51    54    55    56    39    42    52  
   42    43    46    48    49    50    52    53    57    58    59    63    40    54  
   41    44    45    47    51    54    55    64  
   44    45    47    54  
   43    46    48    49    50    52    53    57  
   46    48    52  
   45    47    51    54    56    60    64  
   47    51    64  
   48    49    50    52    53    57  
   51    54    55    56    60    61    62    64  
   49    50    52    53    57    58    59    63  
   50    52    53    57  
   52    53    57  
   54    55    56    60    61    62    64  
   53    57    58    59    63    65    71  
   57    58    59    63  
   55    56    60    64  
   56  
   60    61    62    64  
   58    59    63    65    66    67    70    71    72  
   59    63    65    71  
   63    65    71  
   61    62    64  
   62    64  
   64  
   65    66    67    68    69    70    71    72    73  
    0  
   66    67    68    69    70    71    72    77  
   67    68    69    71  
   68    69    70    71    73    74    77  
   69    70    77  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74    77  
   73  
   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    54   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    51   469.000  1.400
   47    64   450.000  1.364
   51    54   469.000  1.400
   51    56   450.000  1.364
   54    55   367.000  1.080
   56    60   320.000  1.380
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   320.000  1.380
   39    42   465.000  1.376
   39    52   317.000  1.510
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.510
   63    65   469.000  1.400
   63    71   469.000  1.400
   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   469.000  1.400
   69    77   450.000  1.364
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   73    74   320.000  1.380
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   320.000  1.380
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    54    70.00000  120.00000
   33    39    42    70.00000  124.00000
   33    39    52    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    63.00000  120.00000
   38    54    51    63.00000  120.00000
   38    54    55    35.00000  120.00000
   40    44    45    35.00000  120.00000
   40    44    47    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    47    51    63.00000  120.00000
   44    47    64    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    51    54    63.00000  120.00000
   47    51    56    70.00000  120.00000
   47    64    60   100.00000  112.36700
   51    54    55    35.00000  120.00000
   51    56    60   100.00000  112.36700
   54    38    40    63.00000  120.00000
   56    51    54    70.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    64    92.60000  111.55000
   62    60    61    33.00000  109.50000
   64    47    51    70.00000  120.00000
   64    60    61    35.00000  109.50000
   64    60    62    35.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    46    80.00000  120.01400
   39    52    48    70.00000  112.02700
   39    52    53    35.00000  109.50000
   39    52    57    70.00000  112.02700
   42    46    48    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    52    50.00000  109.50000
   48    52    53    37.50000  110.70000
   48    52    57    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    39    42    70.00000  124.00000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    70.00000  112.17500
   57    52    53    37.50000  110.70000
   57    63    65    70.00000  120.00000
   57    63    71    70.00000  120.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   63    71    70    63.00000  120.00000
   63    71    72    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    77    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    63.00000  120.00000
   69    70    73    70.00000  120.00000
   69    77    74   100.00000  112.36700
   70    71    72    35.00000  120.00000
   70    73    74   100.00000  112.36700
   71    63    65    63.00000  120.00000
   73    70    71    70.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    92.60000  111.55000
   76    74    75    33.00000  109.50000
   77    69    70    70.00000  120.00000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    54  -0.16000  1.0 1.0
   29    33    38    54  -0.03200 -1.0 2.0
   29    33    38    54   0.04500  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    52   0.30250  1.0 1.0
   29    33    39    52  -0.14950 -1.0 2.0
   29    33    39    52   0.36900  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    54    51   3.62500 -1.0 2.0
   33    38    54    55   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    46   7.00000 -1.0 2.0
   33    39    52    48   0.46850  1.0 1.0
   33    39    52    48   0.08550 -1.0 2.0
   33    39    52    48   0.09800  1.0 3.0
   33    39    52    53   0.34800  1.0 3.0
   33    39    52    57   0.46850  1.0 1.0
   33    39    52    57   0.08550 -1.0 2.0
   33    39    52    57   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    52   0.34800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    52   0.09700  1.0 1.0
   38    33    39    52   0.15600 -1.0 2.0
   38    33    39    52  -0.50800  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    47   3.62500 -1.0 2.0
   40    38    54    51   3.62500 -1.0 2.0
   40    38    54    55   3.62500 -1.0 2.0
   40    44   -47    51   3.62500 -1.0 2.0
   40    44    47    64   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    47   3.62500 -1.0 2.0
   44    47    51    54   3.62500 -1.0 2.0
   44    47    51    56   3.62500 -1.0 2.0
   44    47    64    60   1.63200 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   45    44    47    64   3.62500 -1.0 2.0
   47    51   -54    38   3.62500 -1.0 2.0
   47    51    54    55   3.62500 -1.0 2.0
   47    51   -56    60   1.63200 -1.0 2.0
   51    47   -64    60   1.63200 -1.0 2.0
   51    56    60    61   0.08050  1.0 3.0
   51    56    60    62   0.08050  1.0 3.0
   51    56   -60    64  -0.25600  1.0 1.0
   51    56   -60    64  -0.40050 -1.0 2.0
   51    56   -60    64   0.34700  1.0 3.0
   54    38    40    41   3.62500 -1.0 2.0
   54    38   -40    44   3.62500 -1.0 2.0
   54    51    56    60   1.63200 -1.0 2.0
   56    51    54    38   3.62500 -1.0 2.0
   56    51    54    55   3.62500 -1.0 2.0
   56    60   -64    47  -0.25600  1.0 1.0
   56    60   -64    47  -0.40050 -1.0 2.0
   56    60   -64    47   0.34700  1.0 3.0
   61    60    64    47   0.08050  1.0 3.0
   62    60    64    47   0.08050  1.0 3.0
   64    47    51    54   3.62500 -1.0 2.0
   64    47   -51    56   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    54   0.18050 -1.0 2.0
   39    42   -46    48  -2.26850  1.0 1.0
   39    42   -46    48   3.39050 -1.0 2.0
   39    52    57    58   0.15000  1.0 3.0
   39    52    57    59   0.15000  1.0 3.0
   39    52    57    63   0.21200  1.0 1.0
   39    52    57    63   0.16900 -1.0 2.0
   39    52    57    63  -1.15100  1.0 3.0
   42    39   -52    48   0.09850  1.0 1.0
   42    39   -52    48   0.15250 -1.0 2.0
   42    39   -52    48  -0.50650  1.0 3.0
   42    39    52    53   0.00000  1.0 1.0
   42    39    52    57   0.09850  1.0 1.0
   42    39    52    57   0.15250 -1.0 2.0
   42    39    52    57  -0.50650  1.0 3.0
   42    46    48    49   0.08050  1.0 3.0
   42    46    48    50   0.08050  1.0 3.0
   42    46   -48    52  -0.46850  1.0 1.0
   42    46   -48    52   0.09300 -1.0 2.0
   42    46   -48    52  -0.12850  1.0 3.0
   43    42    46    48   2.00000 -1.0 2.0
   46    48   -52    39   0.61850  1.0 1.0
   46    48   -52    39  -0.22750 -1.0 2.0
   46    48   -52    39   0.15300  1.0 3.0
   46    48    52    53   0.23400  1.0 3.0
   46    48    52    57   0.62750  1.0 1.0
   46    48    52    57  -0.30950 -1.0 2.0
   46    48    52    57   0.27300  1.0 3.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    63  -0.03700  1.0 1.0
   48    52    57    63   0.37200 -1.0 2.0
   48    52    57    63  -0.47300  1.0 3.0
   49    48    52    39   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   50    48    52    39   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    57   0.15000  1.0 3.0
   52    39    42    43   7.00000 -1.0 2.0
   52    39   -42    46   7.00000 -1.0 2.0
   52    57    63    65   0.04150 -1.0 2.0
   52    57    63    71   0.04150 -1.0 2.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    63   0.43200  1.0 3.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    67   3.62500 -1.0 2.0
   57    63    71    70   3.62500 -1.0 2.0
   57    63    71    72   3.62500 -1.0 2.0
   58    57    63    65   0.00000  1.0 1.0
   58    57    63    71   0.00000  1.0 1.0
   59    57    63    65   0.00000  1.0 1.0
   59    57    63    71   0.00000  1.0 1.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   65    63    71    70   3.62500 -1.0 2.0
   65    63    71    72   3.62500 -1.0 2.0
   65    67   -69    70   3.62500 -1.0 2.0
   65    67    69    77   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    70    71   3.62500 -1.0 2.0
   67    69    70    73   3.62500 -1.0 2.0
   67    69    77    74   1.63200 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    77   3.62500 -1.0 2.0
   69    70   -71    63   3.62500 -1.0 2.0
   69    70    71    72   3.62500 -1.0 2.0
   69    70   -73    74   1.63200 -1.0 2.0
   70    69   -77    74   1.63200 -1.0 2.0
   70    73    74    75   0.08050  1.0 3.0
   70    73    74    76   0.08050  1.0 3.0
   70    73   -74    77  -0.25600  1.0 1.0
   70    73   -74    77  -0.40050 -1.0 2.0
   70    73   -74    77   0.34700  1.0 3.0
   71    63    65    66   3.62500 -1.0 2.0
   71    63   -65    67   3.62500 -1.0 2.0
   71    70    73    74   1.63200 -1.0 2.0
   73    70    71    63   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    74   -77    69  -0.25600  1.0 1.0
   73    74   -77    69  -0.40050 -1.0 2.0
   73    74   -77    69   0.34700  1.0 3.0
   75    74    77    69   0.08050  1.0 3.0
   76    74    77    69   0.08050  1.0 3.0
   77    69    70    71   3.62500 -1.0 2.0
   77    69   -70    73   3.62500 -1.0 2.0
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
   40    54    38    33   4.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   51    64    47    44   4.00000 -1.0 2.0
   54    56    51    47   4.00000 -1.0 2.0
   51    55    54    38   1.10000 -1.0 2.0
   33    52    39    42   1.10000 -1.0 2.0
   43    46    42    39   1.10000 -1.0 2.0
   65    71    63    57   4.00000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   70    77    69    67   4.00000 -1.0 2.0
   71    73    70    69   4.00000 -1.0 2.0
   70    72    71    63   1.10000 -1.0 2.0
END
