* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    150    237     453
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064   105.60637    -0.53850
    3     1 S   H    _H1_     3     1.02041    48.01521   100.76562
    4     1 S   H    _H2_     4     1.02151    64.47731  -104.19682
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.83622    97.72006   159.98248
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C12    37     1.52662   108.85625   -79.93924
   38    37 S   HC   _H14    38     1.09684   108.28877    58.65813
   39    33 S   CT   _C16    71     1.53361   108.18842    40.11798
   40    39 S   HC   _H17    72     1.09638   111.96096    60.92047
   41    39 S   HC   _H18    73     1.09635   111.67308   -60.36631
   42    39 S   HC   _H19    74     1.09677   110.60323  -179.65057
   43    33 S   CT   _C17    75     1.53209   108.55302   159.60991
   44    43 S   HC   _H20    76     1.09685   111.67290   -60.69813
   45    43 S   HC   _H21    77     1.09657   110.60908    58.58406
   46    43 S   HC   _H22    78     1.09651   111.99860   178.10597
   47    37 S   CO4  _C13    39     1.52510   111.61698   -58.17698
   48    47 S   O    _O33    40     1.23007   122.75733    11.66535
   49    37 S   CT   _C11    56     1.53615   110.53477   178.22480
   50    49 S   HC   _H12    57     1.09642   108.44626   -64.26951
   51    49 S   HC   _H13    58     1.09551   109.97976    51.64425
   52    47 S   CT   _C14    41     1.51702   116.25554  -172.94901
   53    52 S   HC   _H15    42     1.09622   108.84855   175.80390
   54    52 S   HC   _H16    43     1.09781   107.31564   -68.63238
   55    52 S   CT   _C5_    44     1.54794   111.17936    53.31512
   56    55 S   CT   _C6_    45     1.54907   108.78785  -174.33680
   57    56 S   HC   _H8_    46     1.09863   109.53018    47.56619
   58    56 S   HC   _H9_    47     1.09820   110.21920   -68.52852
   59    55 S   CT   _C4_    67     1.54786   107.14579    68.44844
   60    59 S   HC   _H5_    68     1.08148   108.83103   179.97202
   61    59 S   HC   _H6_    69     1.08183   108.79199    59.96095
   62    59 S   HC   _H7_    70     1.08279   108.74180   -59.97201
   63    56 S   CT   _C7_    48     1.53333   113.36222   168.95145
   64    63 S   HC   _H10    49     1.09500   110.54391    67.53364
   65    63 S   HC   _H11    50     1.09686   107.89744  -176.14664
   66    63 S   CT   _C8_    51     1.53011   111.82397   -55.91723
   67    66 S   HC   _H3_    52     1.09590   110.12554   179.39639
   68    66 S   CT   _C9_    53     1.54605   112.59036    55.73730
   69    66 S   OH   _O35    65     1.43218   108.19005   -64.78314
   70    69 S   HO   _H27    66     0.96764   106.13234   -60.01047
   71    55 S   CT   _C10    54     1.56374   107.67070   -55.79443
   72    71 S   HC   _H4_    55     1.10355   105.90243   -53.00443
   73    68 S   CT   _C18    59     1.53326   111.13895    77.05107
   74    73 S   HC   _H23    60     1.08680   109.52968    53.51791
   75    73 S   HC   _H24    61     1.08737   109.53002   -66.48437
   76    73 S   HC   _H25    62     1.08668   109.50829   173.56236
   77    68 S   OH   _O34    63     1.44111   107.53954  -168.30263
   78    77 S   HO   _H26    64     0.96529   105.60944   -61.62199
  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  13   5   4   3
  17   2   1   1  21   9   9   3   2   1   5   2   1   1  11   5
  12   5   4  14   5   4  16  15   7   6   7   3   2   1  10   5
   4  12   6  10   4   1   7   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    49    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    52    71    49    50    51    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    52    53    54    55    68    71    72    49    50    51    39    40    41    42    43    44    45    46  
   47    48    52    71    49    50    51    39    43  
   40    41    42    43    44    45    46    47    49  
   41    42    43  
   42    43  
   43  
   44    45    46    47    49  
   45    46  
   46  
    0  
   48    52    53    54    55    56    71    49    50    51    59  
   52    53    54    55    49  
   50    51    73    77    59    52    55    56    66    68    71    72  
   51    55    68    71    72  
   55    68    71    72  
   53    54    55    56    57    58    63    68    71    72    59    60    61    62  
   54    55    56    71    59  
   55    56    71    59  
   56    57    58    63    64    65    66    68    71    72    73    77    59    60    61    62  
   57    58    63    64    65    66    67    68    71    72    69    59    60    61    62  
   58    63    64    65    66    71    59  
   63    64    65    66    71    59  
   60    61    62    63    68    71    72  
   61    62    71  
   62    71  
   71  
   64    65    66    67    68    71    73    77    69    70  
   65    66    67    68    69  
   66    67    68    69  
   67    68    71    72    73    74    75    76    77    78    69    70  
   68    71    73    77    69    70  
   71    72    73    74    75    76    77    78    69    70  
   70    71    73    77  
    0  
   72    73    74    75    76    77    78  
   73    77  
   74    75    76    77    78  
   75    76    77  
   76    77  
   77  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    47   317.000  1.522
   37    49   268.000  1.529
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   268.000  1.529
   55    71   268.000  1.529
   55    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    69   320.000  1.410
   68    71   268.000  1.529
   68    73   268.000  1.529
   68    77   320.000  1.410
   71    72   340.000  1.090
   71    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   553.000  0.945
   69    70   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    37    49    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    52    70.00000  116.00000
   37    49    71    58.35000  112.70000
   37    49    50    37.50000  110.70000
   37    49    51    37.50000  110.70000
   47    37    38    35.00000  109.50000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    63.00000  111.10000
   52    47    48    80.00000  120.40000
   52    55    56    58.35000  112.70000
   52    55    71    58.35000  112.70000
   52    55    59    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    56    57    37.50000  110.70000
   55    56    58    37.50000  110.70000
   55    56    63    58.35000  112.70000
   55    71    68    58.35000  112.70000
   55    71    72    37.50000  110.70000
   55    71    49    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    69    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    71    58.35000  112.70000
   66    68    73    58.35000  112.70000
   66    68    77    50.00000  109.50000
   66    69    70    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    49    58.35000  112.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    55.00000  108.50000
   71    55    56    58.35000  112.70000
   71    49    50    37.50000  110.70000
   71    49    51    37.50000  110.70000
   49    37    38    37.50000  110.70000
   49    37    47    63.00000  111.10000
   49    71    72    37.50000  110.70000
   51    49    50    33.00000  107.80000
   73    68    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    71    50.00000  109.50000
   77    68    73    50.00000  109.50000
   69    66    67    35.00000  109.50000
   69    66    68    50.00000  109.50000
   59    55    56    58.35000  112.70000
   59    55    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    37    49   0.44750  1.0 1.0
   29    33    37    49  -0.17800 -1.0 2.0
   29    33    37    49   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    52   0.60050  1.0 1.0
   33    37    47    52   0.05600 -1.0 2.0
   33    37    47    52   0.26150  1.0 3.0
   33    37    49    71   0.56750  1.0 1.0
   33    37    49    71  -0.07550 -1.0 2.0
   33    37    49    71   0.20000  1.0 3.0
   33    37    49    50   0.15000  1.0 3.0
   33    37    49    51   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    52    53   0.00000  1.0 1.0
   37    47    52    54   0.00000  1.0 1.0
   37    47    52    55   0.60050  1.0 1.0
   37    47    52    55   0.05600 -1.0 2.0
   37    47    52    55   0.26150  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    52   0.00000  1.0 1.0
   38    37    49    71   0.15000  1.0 3.0
   38    37    49    50   0.15000  1.0 3.0
   38    37    49    51   0.15000  1.0 3.0
   47    37    49    71  -0.95700  1.0 1.0
   47    37    49    71  -0.18200 -1.0 2.0
   47    37    49    71   0.29450  1.0 3.0
   47    37    49    50  -0.11250  1.0 3.0
   47    37    49    51  -0.11250  1.0 3.0
   47    52    55    56  -0.95700  1.0 1.0
   47    52    55    56  -0.18200 -1.0 2.0
   47    52    55    56   0.29450  1.0 3.0
   47    52   -55    71  -0.95700  1.0 1.0
   47    52   -55    71  -0.18200 -1.0 2.0
   47    52   -55    71   0.29450  1.0 3.0
   47    52    55    59  -0.95700  1.0 1.0
   47    52    55    59  -0.18200 -1.0 2.0
   47    52    55    59   0.29450  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   48    47    52    55   0.30150 -1.0 2.0
   52    55    56    57   0.15000  1.0 3.0
   52    55    56    58   0.15000  1.0 3.0
   52    55    56    63   0.56750  1.0 1.0
   52    55    56    63  -0.07550 -1.0 2.0
   52    55    56    63   0.20000  1.0 3.0
   52    55    71    68   0.56750  1.0 1.0
   52    55    71    68  -0.07550 -1.0 2.0
   52    55    71    68   0.20000  1.0 3.0
   52    55    71    72   0.15000  1.0 3.0
   52    55    71    49   0.56750  1.0 1.0
   52    55    71    49  -0.07550 -1.0 2.0
   52    55    71    49   0.20000  1.0 3.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.15000  1.0 3.0
   52    55    59    62   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    71   0.15000  1.0 3.0
   53    52    55    59   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    71   0.15000  1.0 3.0
   54    52    55    59   0.15000  1.0 3.0
   55    56    63    64   0.15000  1.0 3.0
   55    56    63    65   0.15000  1.0 3.0
   55    56    63    66   0.56750  1.0 1.0
   55    56    63    66  -0.07550 -1.0 2.0
   55    56    63    66   0.20000  1.0 3.0
   55    71   -49    37   0.56750  1.0 1.0
   55    71   -49    37  -0.07550 -1.0 2.0
   55    71   -49    37   0.20000  1.0 3.0
   55    71    49    50   0.15000  1.0 3.0
   55    71    49    51   0.15000  1.0 3.0
   56    55    71    68   0.56750  1.0 1.0
   56    55    71    68  -0.07550 -1.0 2.0
   56    55    71    68   0.20000  1.0 3.0
   56    55    71    72   0.15000  1.0 3.0
   56    55    71    49   0.56750  1.0 1.0
   56    55    71    49  -0.07550 -1.0 2.0
   56    55    71    49   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   56    63    66    67   0.15000  1.0 3.0
   56    63   -66    68   0.56750  1.0 1.0
   56    63   -66    68  -0.07550 -1.0 2.0
   56    63   -66    68   0.20000  1.0 3.0
   56    63    66    69   0.86500  1.0 1.0
   56    63    66    69  -0.17500 -1.0 2.0
   56    63    66    69   0.20800  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    66   0.15000  1.0 3.0
   63    66    68    71   0.56750  1.0 1.0
   63    66    68    71  -0.07550 -1.0 2.0
   63    66    68    71   0.20000  1.0 3.0
   63    66    68    73   0.56750  1.0 1.0
   63    66    68    73  -0.07550 -1.0 2.0
   63    66    68    73   0.20000  1.0 3.0
   63    66    68    77   0.86500  1.0 1.0
   63    66    68    77  -0.17500 -1.0 2.0
   63    66    68    77   0.20800  1.0 3.0
   63    66    69    70  -0.11600  1.0 1.0
   63    66    69    70  -0.09450 -1.0 2.0
   63    66    69    70   0.21250  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.23400  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.23400  1.0 3.0
   66    68   -71    55   0.56750  1.0 1.0
   66    68   -71    55  -0.07550 -1.0 2.0
   66    68   -71    55   0.20000  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    49   0.56750  1.0 1.0
   66    68    71    49  -0.07550 -1.0 2.0
   66    68    71    49   0.20000  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    68    77    78  -0.11600  1.0 1.0
   66    68    77    78  -0.09450 -1.0 2.0
   66    68    77    78   0.21250  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    68    77   0.23400  1.0 3.0
   67    66    69    70   0.19450  1.0 3.0
   68    66    69    70  -0.11600  1.0 1.0
   68    66    69    70  -0.09450 -1.0 2.0
   68    66    69    70   0.21250  1.0 3.0
   68    71    49    37   0.56750  1.0 1.0
   68    71    49    37  -0.07550 -1.0 2.0
   68    71    49    37   0.20000  1.0 3.0
   68    71    49    50   0.15000  1.0 3.0
   68    71    49    51   0.15000  1.0 3.0
   71    55    56    57   0.15000  1.0 3.0
   71    55    56    58   0.15000  1.0 3.0
   71    55   -56    63   0.56750  1.0 1.0
   71    55   -56    63  -0.07550 -1.0 2.0
   71    55   -56    63   0.20000  1.0 3.0
   71    55    59    60   0.15000  1.0 3.0
   71    55    59    61   0.15000  1.0 3.0
   71    55    59    62   0.15000  1.0 3.0
   71    68    73    74   0.15000  1.0 3.0
   71    68    73    75   0.15000  1.0 3.0
   71    68    73    76   0.15000  1.0 3.0
   71    68    77    78  -0.11600  1.0 1.0
   71    68    77    78  -0.09450 -1.0 2.0
   71    68    77    78   0.21250  1.0 3.0
   72    71    49    37   0.15000  1.0 3.0
   72    71    49    50   0.15000  1.0 3.0
   72    71    49    51   0.15000  1.0 3.0
   49    37    47    48   0.30150 -1.0 2.0
   49    37   -47    52   0.60050  1.0 1.0
   49    37   -47    52   0.05600 -1.0 2.0
   49    37   -47    52   0.26150  1.0 3.0
   73    68    71    55   0.56750  1.0 1.0
   73    68    71    55  -0.07550 -1.0 2.0
   73    68    71    55   0.20000  1.0 3.0
   73    68    71    72   0.15000  1.0 3.0
   73    68    71    49   0.56750  1.0 1.0
   73    68    71    49  -0.07550 -1.0 2.0
   73    68    71    49   0.20000  1.0 3.0
   73    68    77    78  -0.11600  1.0 1.0
   73    68    77    78  -0.09450 -1.0 2.0
   73    68    77    78   0.21250  1.0 3.0
   77    68    71    55   0.86500  1.0 1.0
   77    68    71    55  -0.17500 -1.0 2.0
   77    68    71    55   0.20800  1.0 3.0
   77    68    71    72   0.23400  1.0 3.0
   77    68    71    49   0.86500  1.0 1.0
   77    68    71    49  -0.17500 -1.0 2.0
   77    68    71    49   0.20800  1.0 3.0
   77    68    73    74   0.23400  1.0 3.0
   77    68    73    75   0.23400  1.0 3.0
   77    68    73    76   0.23400  1.0 3.0
   69    66    68    71   0.86500  1.0 1.0
   69    66    68    71  -0.17500 -1.0 2.0
   69    66    68    71   0.20800  1.0 3.0
   69    66    68    73   0.86500  1.0 1.0
   69    66    68    73  -0.17500 -1.0 2.0
   69    66    68    73   0.20800  1.0 3.0
   69    66    68    77   3.75450  1.0 1.0
   59    55    56    57   0.15000  1.0 3.0
   59    55    56    58   0.15000  1.0 3.0
   59    55    56    63   0.56750  1.0 1.0
   59    55    56    63  -0.07550 -1.0 2.0
   59    55    56    63   0.20000  1.0 3.0
   59    55    71    68   0.56750  1.0 1.0
   59    55    71    68  -0.07550 -1.0 2.0
   59    55    71    68   0.20000  1.0 3.0
   59    55    71    72   0.15000  1.0 3.0
   59    55    71    49   0.56750  1.0 1.0
   59    55    71    49  -0.07550 -1.0 2.0
   59    55    71    49   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    37    49   0.56750  1.0 1.0
   39    33    37    49  -0.07550 -1.0 2.0
   39    33    37    49   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    37    49   0.56750  1.0 1.0
   43    33    37    49  -0.07550 -1.0 2.0
   43    33    37    49   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    52    47    48  10.50000 -1.0 2.0
END
