* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    149    243     449
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02029   105.60075   -28.34497
    3     1 S   H    _H1_     3     1.02117    64.61599    75.33370
    4     1 S   H    _H2_     4     1.02136    47.89838  -129.62148
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C10    36     1.85638    97.06745  -158.14565
   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   _C17    37     1.56994   102.39099   -60.02336
   38    37 S   HC   _H6_    38     1.09956   110.77706   -20.62612
   39    33 S   CT   _C9_    55     1.56673   109.89116    65.45959
   40    39 S   HC   _H5_    56     1.09151   111.13372  -125.79317
   41    37 S   CO4  _C16    39     1.51252   104.01638  -129.55939
   42    41 S   O    _O33    40     1.22426   124.47206  -162.38051
   43    39 S   OH   _O34    57     1.41935   116.12648    -5.82659
   44    43 S   HO   _H25    58     0.97060   106.93675  -179.09756
   45    37 S   CT   _C18    72     1.52031   118.39321   102.11467
   46    45 S   HC   _H22    73     1.09159   110.17961    54.88693
   47    45 S   HC   _H23    74     1.09066   110.17117   -65.04319
   48    45 S   HC   _H24    75     1.09057   110.15225   174.87470
   49    41 S   CT   _C15    41     1.50222   111.73597    22.69594
   50    49 S   HC   _H20    42     1.09215   106.45325    86.78286
   51    49 S   HC   _H21    43     1.09142   111.38438  -153.87828
   52    33 S   CT   _C11    44     1.61481   119.59993  -176.14334
   53    52 S   CT   _C5_    45     1.57197   115.13270   -27.00067
   54    53 S   HC   _H3_    46     1.09645   106.78511  -169.42432
   55    53 S   CT   _C6_    47     1.54524   111.93293   -53.28734
   56    55 S   HC   _H10    48     1.09844   108.83760  -155.06515
   57    55 S   HC   _H11    49     1.09295   110.60618    91.40111
   58    53 S   CT   _C4_    68     1.53552   118.09737    77.82169
   59    58 S   HC   _H7_    69     1.08659   109.42466   -64.09274
   60    58 S   HC   _H8_    70     1.08591   109.45272   175.97144
   61    58 S   HC   _H9_    71     1.08611   109.48688    55.92270
   62    55 S   CT   _C7_    50     1.53826   115.70546   -32.78568
   63    62 S   HC   _H12    51     1.09619   109.05096   150.35505
   64    62 S   HC   _H13    52     1.09750   108.10872   -96.59129
   65    62 S   CT   _C8_    53     1.54528   116.04797    25.10644
   66    65 S   HC   _H4_    54     1.09673   107.72410  -170.79749
   67    52 S   CT   _C12    59     1.60734   103.75886  -142.82048
   68    67 S   CT   _C13    60     1.55265   116.56156   162.45131
   69    68 S   HC   _H14    61     1.08107   108.55254    69.42417
   70    68 S   HC   _H15    62     1.08073   108.59781   -50.53653
   71    68 S   HC   _H16    63     1.08032   108.58004  -170.56526
   72    67 S   CT   _C14    64     1.55067   116.13533   -76.29571
   73    72 S   HC   _H17    65     1.08070   108.64701   -68.14948
   74    72 S   HC   _H18    66     1.08132   108.59872   171.91847
   75    72 S   HC   _H19    67     1.08108   108.63002    51.91042
  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
  26   2   1   1  17   9  17   7  11   5   6   1   5   2   1   1
  11   4   3  21  15   9  12   6   5   5   2   1   1   7   4   3
  10   3   8   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    52    53    65    39    40    43    67    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    49    50    51    52    53    54    55    62    65    66    39    40    43    44    67    68    72    58    45    46    47    48  
   35    36  
   36  
    0  
   38    41    42    49    50    51    52    53    65    39    40    43    67    45    46    47    48  
   41    42    49    52    39    45    46    47    48  
   40    43    44    67    68    72    45    41    49    52    53    55    62    63    64    65    66  
   43    44    67    52    62    65    66  
   42    49    50    51    52    53    67    45    46    47    48  
   49    50    51    52    45  
   44    67    52    62    65    66  
   65  
   46    47    48    49    52  
   47    48  
   48  
    0  
   50    51    52    53    54    55    65    67    68    72    58  
   51    52    53    67  
   52    53    67  
   53    54    55    56    57    62    65    66    67    68    69    70    71    72    73    74    75    58    59    60    61  
   54    55    56    57    62    63    64    65    67    68    72    58    59    60    61  
   55    56    57    62    67    58    59    60    61  
   56    57    62    63    64    65    66    67    58    59    60    61  
   57    62    63    64    65    58  
   62    63    64    65    58  
   59    60    61    62    67  
   60    61  
   61  
    0  
   63    64    65    66    67    68    72  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72    73    74    75  
   67    68    72  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    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    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    45   268.000  1.529
   41    42   570.000  1.229
   41    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   268.000  1.529
   52    67   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    39   268.000  1.529
   65    67   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   67    68   268.000  1.529
   67    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    52    49    58.35000  112.70000
   33    52    53    58.35000  112.70000
   33    52    67    58.35000  112.70000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    49    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    48    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    63.00000  111.10000
   49    41    42    80.00000  120.40000
   49    52    53    58.35000  112.70000
   49    52    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    55    58.35000  112.70000
   52    53    58    58.35000  112.70000
   52    67    65    58.35000  112.70000
   52    67    68    58.35000  112.70000
   52    67    72    58.35000  112.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    62    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    39    58.35000  112.70000
   62    65    67    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    43    50.00000  109.50000
   65    67    68    58.35000  112.70000
   65    67    72    58.35000  112.70000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    65    66    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   67    52    53    58.35000  112.70000
   67    65    66    37.50000  110.70000
   67    65    39    58.35000  112.70000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    41    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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
   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    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    52    49   0.44750  1.0 1.0
   29    33    52    49  -0.17800 -1.0 2.0
   29    33    52    49   0.20200  1.0 3.0
   29    33    52    53   0.44750  1.0 1.0
   29    33    52    53  -0.17800 -1.0 2.0
   29    33    52    53   0.20200  1.0 3.0
   29    33    52    67   0.44750  1.0 1.0
   29    33    52    67  -0.17800 -1.0 2.0
   29    33    52    67   0.20200  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    49   0.60050  1.0 1.0
   33    37   -41    49   0.05600 -1.0 2.0
   33    37   -41    49   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    48   0.15000  1.0 3.0
   33    52    53    54   0.15000  1.0 3.0
   33    52    53    55   0.56750  1.0 1.0
   33    52    53    55  -0.07550 -1.0 2.0
   33    52    53    55   0.20000  1.0 3.0
   33    52    53    58   0.56750  1.0 1.0
   33    52    53    58  -0.07550 -1.0 2.0
   33    52    53    58   0.20000  1.0 3.0
   33    52   -67    65   0.56750  1.0 1.0
   33    52   -67    65  -0.07550 -1.0 2.0
   33    52   -67    65   0.20000  1.0 3.0
   33    52    67    68   0.56750  1.0 1.0
   33    52    67    68  -0.07550 -1.0 2.0
   33    52    67    68   0.20000  1.0 3.0
   33    52    67    72   0.56750  1.0 1.0
   33    52    67    72  -0.07550 -1.0 2.0
   33    52    67    72   0.20000  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   37    33   -52    49   0.56750  1.0 1.0
   37    33   -52    49  -0.07550 -1.0 2.0
   37    33   -52    49   0.20000  1.0 3.0
   37    33    52    53   0.56750  1.0 1.0
   37    33    52    53  -0.07550 -1.0 2.0
   37    33    52    53   0.20000  1.0 3.0
   37    33    52    67   0.56750  1.0 1.0
   37    33    52    67  -0.07550 -1.0 2.0
   37    33    52    67   0.20000  1.0 3.0
   37    33    39    65   0.56750  1.0 1.0
   37    33    39    65  -0.07550 -1.0 2.0
   37    33    39    65   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.86500  1.0 1.0
   37    33    39    43  -0.17500 -1.0 2.0
   37    33    39    43   0.20800  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41   -49    52   0.60050  1.0 1.0
   37    41   -49    52   0.05600 -1.0 2.0
   37    41   -49    52   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    49   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    48   0.15000  1.0 3.0
   41    37    45    46  -0.11250  1.0 3.0
   41    37    45    47  -0.11250  1.0 3.0
   41    37    45    48  -0.11250  1.0 3.0
   41    49   -52    33  -0.95700  1.0 1.0
   41    49   -52    33  -0.18200 -1.0 2.0
   41    49   -52    33   0.29450  1.0 3.0
   41    49    52    53  -0.95700  1.0 1.0
   41    49    52    53  -0.18200 -1.0 2.0
   41    49    52    53   0.29450  1.0 3.0
   41    49    52    67  -0.95700  1.0 1.0
   41    49    52    67  -0.18200 -1.0 2.0
   41    49    52    67   0.29450  1.0 3.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    52   0.30150 -1.0 2.0
   49    52    53    54   0.15000  1.0 3.0
   49    52    53    55   0.56750  1.0 1.0
   49    52    53    55  -0.07550 -1.0 2.0
   49    52    53    55   0.20000  1.0 3.0
   49    52    53    58   0.56750  1.0 1.0
   49    52    53    58  -0.07550 -1.0 2.0
   49    52    53    58   0.20000  1.0 3.0
   49    52    67    65   0.56750  1.0 1.0
   49    52    67    65  -0.07550 -1.0 2.0
   49    52    67    65   0.20000  1.0 3.0
   49    52    67    68   0.56750  1.0 1.0
   49    52    67    68  -0.07550 -1.0 2.0
   49    52    67    68   0.20000  1.0 3.0
   49    52    67    72   0.56750  1.0 1.0
   49    52    67    72  -0.07550 -1.0 2.0
   49    52    67    72   0.20000  1.0 3.0
   50    49    52    33   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    67   0.15000  1.0 3.0
   51    49    52    33   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    67   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    41  -0.95700  1.0 1.0
   52    33   -37    41  -0.18200 -1.0 2.0
   52    33   -37    41   0.29450  1.0 3.0
   52    33    37    45   0.56750  1.0 1.0
   52    33    37    45  -0.07550 -1.0 2.0
   52    33    37    45   0.20000  1.0 3.0
   52    33   -39    65   0.56750  1.0 1.0
   52    33   -39    65  -0.07550 -1.0 2.0
   52    33   -39    65   0.20000  1.0 3.0
   52    33    39    40   0.15000  1.0 3.0
   52    33    39    43   0.86500  1.0 1.0
   52    33    39    43  -0.17500 -1.0 2.0
   52    33    39    43   0.20800  1.0 3.0
   52    53    55    56   0.15000  1.0 3.0
   52    53    55    57   0.15000  1.0 3.0
   52    53    55    62   0.56750  1.0 1.0
   52    53    55    62  -0.07550 -1.0 2.0
   52    53    55    62   0.20000  1.0 3.0
   52    53    58    59   0.15000  1.0 3.0
   52    53    58    60   0.15000  1.0 3.0
   52    53    58    61   0.15000  1.0 3.0
   52    67    68    69   0.15000  1.0 3.0
   52    67    68    70   0.15000  1.0 3.0
   52    67    68    71   0.15000  1.0 3.0
   52    67    72    73   0.15000  1.0 3.0
   52    67    72    74   0.15000  1.0 3.0
   52    67    72    75   0.15000  1.0 3.0
   53    52    67    65   0.56750  1.0 1.0
   53    52    67    65  -0.07550 -1.0 2.0
   53    52    67    65   0.20000  1.0 3.0
   53    52    67    68   0.56750  1.0 1.0
   53    52    67    68  -0.07550 -1.0 2.0
   53    52    67    68   0.20000  1.0 3.0
   53    52    67    72   0.56750  1.0 1.0
   53    52    67    72  -0.07550 -1.0 2.0
   53    52    67    72   0.20000  1.0 3.0
   53    55    62    63   0.15000  1.0 3.0
   53    55    62    64   0.15000  1.0 3.0
   53    55   -62    65   0.56750  1.0 1.0
   53    55   -62    65  -0.07550 -1.0 2.0
   53    55   -62    65   0.20000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    62   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   55    62    65    66   0.15000  1.0 3.0
   55    62    65    39   0.56750  1.0 1.0
   55    62    65    39  -0.07550 -1.0 2.0
   55    62    65    39   0.20000  1.0 3.0
   55    62    65    67   0.56750  1.0 1.0
   55    62    65    67  -0.07550 -1.0 2.0
   55    62    65    67   0.20000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    65   0.15000  1.0 3.0
   62    65    39    33   0.56750  1.0 1.0
   62    65    39    33  -0.07550 -1.0 2.0
   62    65    39    33   0.20000  1.0 3.0
   62    65    39    40   0.15000  1.0 3.0
   62    65    39    43   0.86500  1.0 1.0
   62    65    39    43  -0.17500 -1.0 2.0
   62    65    39    43   0.20800  1.0 3.0
   62    65   -67    52   0.56750  1.0 1.0
   62    65   -67    52  -0.07550 -1.0 2.0
   62    65   -67    52   0.20000  1.0 3.0
   62    65    67    68   0.56750  1.0 1.0
   62    65    67    68  -0.07550 -1.0 2.0
   62    65    67    68   0.20000  1.0 3.0
   62    65    67    72   0.56750  1.0 1.0
   62    65    67    72  -0.07550 -1.0 2.0
   62    65    67    72   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    39   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    39   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   65    39    43    44  -0.11600  1.0 1.0
   65    39    43    44  -0.09450 -1.0 2.0
   65    39    43    44   0.21250  1.0 3.0
   65    67    68    69   0.15000  1.0 3.0
   65    67    68    70   0.15000  1.0 3.0
   65    67    68    71   0.15000  1.0 3.0
   65    67    72    73   0.15000  1.0 3.0
   65    67    72    74   0.15000  1.0 3.0
   65    67    72    75   0.15000  1.0 3.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    43   0.23400  1.0 3.0
   66    65    67    52   0.15000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    52    49   0.56750  1.0 1.0
   39    33    52    49  -0.07550 -1.0 2.0
   39    33    52    49   0.20000  1.0 3.0
   39    33    52    53   0.56750  1.0 1.0
   39    33    52    53  -0.07550 -1.0 2.0
   39    33    52    53   0.20000  1.0 3.0
   39    33   -52    67   0.56750  1.0 1.0
   39    33   -52    67  -0.07550 -1.0 2.0
   39    33   -52    67   0.20000  1.0 3.0
   39    65   -67    52   0.56750  1.0 1.0
   39    65   -67    52  -0.07550 -1.0 2.0
   39    65   -67    52   0.20000  1.0 3.0
   39    65    67    68   0.56750  1.0 1.0
   39    65    67    68  -0.07550 -1.0 2.0
   39    65    67    68   0.20000  1.0 3.0
   39    65    67    72   0.56750  1.0 1.0
   39    65    67    72  -0.07550 -1.0 2.0
   39    65    67    72   0.20000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   67    52    53    54   0.15000  1.0 3.0
   67    52   -53    55   0.56750  1.0 1.0
   67    52   -53    55  -0.07550 -1.0 2.0
   67    52   -53    55   0.20000  1.0 3.0
   67    52    53    58   0.56750  1.0 1.0
   67    52    53    58  -0.07550 -1.0 2.0
   67    52    53    58   0.20000  1.0 3.0
   67    65   -39    33   0.56750  1.0 1.0
   67    65   -39    33  -0.07550 -1.0 2.0
   67    65   -39    33   0.20000  1.0 3.0
   67    65    39    40   0.15000  1.0 3.0
   67    65    39    43   0.86500  1.0 1.0
   67    65    39    43  -0.17500 -1.0 2.0
   67    65    39    43   0.20800  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   72    67    68    69   0.15000  1.0 3.0
   72    67    68    70   0.15000  1.0 3.0
   72    67    68    71   0.15000  1.0 3.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53    55    62   0.56750  1.0 1.0
   58    53    55    62  -0.07550 -1.0 2.0
   58    53    55    62   0.20000  1.0 3.0
   45    37    41    42   0.30150 -1.0 2.0
   45    37    41    49   0.60050  1.0 1.0
   45    37    41    49   0.05600 -1.0 2.0
   45    37    41    49   0.26150  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    49    41    42  10.50000 -1.0 2.0
END
