* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    138    215     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02147    39.21097  -150.44926
    3     1 S   H    _H1_     3     1.02119   101.58379   -45.04434
    4     1 S   H    _H2_     4     1.02028    75.18108    61.53527
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C13    36     1.82139    98.17248  -178.16304
   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   CM   _C10    37     1.48444   109.48267   -79.97150
   38    33 S   OH   _O36    76     1.41998   111.22593    42.34386
   39    38 S   HO   _H12    77     0.97087   106.81593   178.25774
   40    37 S   CM   _C11    38     1.33329   110.37264  -107.69704
   41    37 S   OS1  _O34    53     1.32472   122.73787    71.78626
   42    40 S   OS   _O35    39     1.39417   114.14772    -0.80454
   43    40 S   OH   _O39    51     1.36660   124.71076   178.14154
   44    43 S   HO   _H17    52     0.96672   110.55939   179.96044
   45    41 S   CO1  _C9_    54     1.42642   114.77735    90.56538
   46    45 S   HC   _H7_    55     1.11525   106.29964   -39.95768
   47    33 S   CT   _C12    40     1.54912   116.82778   169.06627
   48    47 S   HC   _H8_    41     1.10080   109.37526  -151.39982
   49    45 S   CT   _C8_    56     1.52969   112.55767  -158.35645
   50    49 S   HC   _H6_    57     1.09700   109.57442   168.17828
   51    47 S   CT   _C14    42     1.52217   117.25532   -29.30144
   52    51 S   HC   _H9_    43     1.09466   110.46015    60.02117
   53    49 S   CT   _C7_    58     1.52725   111.64206   -71.64711
   54    53 S   HC   _H5_    59     1.09397   111.40117    73.52331
   55    49 S   OH5  _O40    74     1.42258   110.32410    50.18294
   56    55 S   HO   _H18    75     0.97027   106.66535    56.80383
   57    51 S   CT   _C15    44     1.52285   111.43046   -62.85678
   58    57 S   HC   _H13    45     1.09564   111.22776   -59.98752
   59    57 S   HC   _H14    46     1.09454   111.11808    62.26296
   60    51 S   OH   _O38    49     1.42664   108.83076   177.73065
   61    60 S   HO   _H16    50     0.96875   106.49052   -59.95999
   62    53 S   CT   _C6_    60     1.53028   110.60242   -50.25605
   63    62 S   HC   _H4_    61     1.09853   108.81686   -72.34622
   64    53 S   OH5  _O41    72     1.42990   109.08779  -169.17814
   65    64 S   HO   _H19    73     0.96813   106.37377    60.33713
   66    57 S   OH   _O37    47     1.42372   108.93837  -178.74602
   67    66 S   HO   _H15    48     0.97005   106.63447  -179.98022
   68    62 S   CT   _C5_    62     1.53423   111.21533    49.72502
   69    68 S   HC   _H3_    63     1.09852   110.20182    67.02213
   70    62 S   OH5  _O42    70     1.42568   108.05132   170.97061
   71    70 S   HO   _H20    71     0.96931   106.50170   -59.99233
   72    45 S   OS1  _O33    64     1.42919   112.30154    76.21038
   73    68 S   CT   _C4_    65     1.52568   112.09362  -173.55521
   74    73 S   HC   _H10    66     1.08961   109.91848   -59.97508
   75    73 S   HC   _H11    67     1.09002   109.94500   179.09237
   76    73 S   OH5  _O43    68     1.41543   108.55318    59.55845
   77    76 S   HO   _H21    69     0.97177   107.13344   179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   2   1   1  14   7   1   8  11   8   2   1  13   6   9   4
  12   7   8   6  13   7   4   1   6   4   3   2   1  12   7   3
   1   1   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    42    47    48    51    41    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    47    48    51    52    57    60    43    41    45    38    39  
   35    36  
   36  
    0  
   40    42    47    48    51    43    44    41    45    46    49    72    38    39  
   39    40    41    42    47    48    51  
   47  
   42    47    48    51    43    44    41    45  
   45    46    49    50    53    68    72    55    42    43    47  
   47    48    51    52    57    60    43    44  
   44    47  
    0  
   46    49    50    53    54    62    68    69    72    73    64    55    56  
   49    50    53    68    72    55  
   48    51    52    57    58    59    66    60    61  
   51    52    57    60  
   50    53    54    62    63    68    72    70    64    65    55    56  
   53    54    62    72    64    55    56  
   52    57    58    59    66    67    60    61  
   57    58    59    66    60    61  
   54    62    63    68    69    72    73    70    71    64    65    55    56  
   62    63    68    70    64    65    55  
   56    62    64    72  
    0  
   58    59    66    67    60    61  
   59    66    67    60  
   66    67    60  
   61    66  
    0  
   63    68    69    72    73    74    75    76    70    71    64    65  
   68    69    72    73    70    71    64  
   65    68    70  
    0  
   67  
    0  
   69    72    73    74    75    76    77    70    71  
   72    73    74    75    76    70  
   71    72    73  
    0  
   73    74    75    76  
   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   0.432500   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   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   317.000  1.510
   33    47   268.000  1.529
   33    38   320.000  1.410
   37    40   549.000  1.340
   37    41   440.000  1.360
   40    42   440.000  1.360
   40    43   510.000  1.338
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   320.000  1.410
   66    67   553.000  0.945
   60    61   553.000  0.945
   43    44   553.000  0.945
   41    45   370.000  1.399
   45    46   360.000  1.097
   45    49   255.000  1.525
   45    72   370.000  1.399
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    55   355.000  1.421
   53    54   340.000  1.090
   53    62   268.000  1.529
   53    64   355.000  1.421
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   355.000  1.421
   68    69   340.000  1.090
   68    72   335.000  1.422
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   355.000  1.421
   76    77   580.000  0.967
   70    71   580.000  0.967
   64    65   580.000  0.967
   55    56   580.000  0.967
   38    39   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    47    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    41    85.00000  112.85300
   33    47    42    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    51    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    42    80.00000  120.01400
   37    40    43    80.00000  121.38400
   37    41    45    90.00000  111.18400
   40    42    47    90.00000  111.18400
   40    43    44    70.00000  107.45700
   42    47    48    35.00000  109.50000
   42    47    51    50.00000  109.50000
   47    33    37    70.00000  112.02700
   47    51    52    37.50000  110.70000
   47    51    57    58.35000  112.70000
   47    51    60    50.00000  109.50000
   51    47    48    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    66    50.00000  109.50000
   51    60    61    55.00000  108.50000
   57    51    52    37.50000  110.70000
   57    66    67    55.00000  108.50000
   59    57    58    33.00000  107.80000
   66    57    58    35.00000  109.50000
   66    57    59    35.00000  109.50000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   43    40    42   115.00000  116.36000
   41    37    40    80.00000  120.01400
   41    45    46    60.00000  105.75400
   41    45    49    90.00000  109.70700
   41    45    72   110.00000  113.16000
   45    49    50    45.00000  109.54000
   45    49    53    70.00000  111.10000
   45    49    55    90.00000  109.42000
   45    72    68    90.00000  112.10700
   49    45    46    45.00000  111.65000
   49    53    54    37.50000  110.70000
   49    53    62    58.35000  112.70000
   49    53    64    90.00000  111.45300
   49    55    56    65.00000  108.53500
   53    49    50    37.50000  110.70000
   53    62    63    37.50000  110.70000
   53    62    68    58.35000  112.70000
   53    62    70    90.00000  111.45300
   53    64    65    65.00000  108.53500
   62    53    54    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    72    95.00000  107.88500
   62    68    73    58.35000  112.70000
   62    70    71    65.00000  108.53500
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    90.00000  111.45300
   72    45    46    60.00000  105.75400
   72    45    49    90.00000  109.70700
   72    68    69    55.00000  108.98800
   73    68    69    37.50000  110.70000
   73    68    72    95.00000  107.88500
   73    76    77    65.00000  108.53500
   75    73    74    33.00000  107.80000
   76    73    74    60.00000  109.39000
   76    73    75    60.00000  109.39000
   70    62    63    60.00000  109.39000
   70    62    68    90.00000  111.45300
   64    53    54    60.00000  109.39000
   64    53    62    90.00000  111.45300
   55    49    50    60.00000  109.39000
   55    49    53    90.00000  111.45300
   38    33    37    90.00000  110.39200
   38    33    47    50.00000  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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    47    42   0.56750  1.0 1.0
   29    33    47    42  -0.07550 -1.0 2.0
   29    33    47    42   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    51   0.44750  1.0 1.0
   29    33    47    51  -0.17800 -1.0 2.0
   29    33    47    51   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37   -40    42   7.00000 -1.0 2.0
   33    37    40    43   7.00000 -1.0 2.0
   33    37    41    45   2.00000 -1.0 2.0
   33    47    51    52   0.15000  1.0 3.0
   33    47    51    57   0.56750  1.0 1.0
   33    47    51    57  -0.07550 -1.0 2.0
   33    47    51    57   0.20000  1.0 3.0
   33    47    51    60   0.86500  1.0 1.0
   33    47    51    60  -0.17500 -1.0 2.0
   33    47    51    60   0.20800  1.0 3.0
   37    33   -47    42   0.61850  1.0 1.0
   37    33   -47    42  -0.22750 -1.0 2.0
   37    33   -47    42   0.15300  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    51   0.34400  1.0 1.0
   37    33    47    51   0.09450 -1.0 2.0
   37    33    47    51   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -42    47  -2.26850  1.0 1.0
   37    40   -42    47   3.39050 -1.0 2.0
   37    40    43    44  -0.66100  1.0 1.0
   37    40    43    44   1.20850 -1.0 2.0
   37    40    43    44  -0.36000  1.0 3.0
   37    41    45    46   0.08050  1.0 3.0
   37    41    45    49  -0.46850  1.0 1.0
   37    41    45    49   0.09300 -1.0 2.0
   37    41    45    49  -0.12850  1.0 3.0
   37    41    45    72  -0.48150  1.0 1.0
   37    41    45    72   0.09250 -1.0 2.0
   37    41    45    72  -0.12850  1.0 3.0
   40    37    41    45  -2.26850  1.0 1.0
   40    37    41    45   3.39050 -1.0 2.0
   40    42   -47    33  -0.46850  1.0 1.0
   40    42   -47    33   0.09300 -1.0 2.0
   40    42   -47    33  -0.12850  1.0 3.0
   40    42    47    48   0.08050  1.0 3.0
   40    42    47    51  -0.46850  1.0 1.0
   40    42    47    51   0.09300 -1.0 2.0
   40    42    47    51  -0.12850  1.0 3.0
   42    40    43    44   2.00000 -1.0 2.0
   42    47    51    52   0.23400  1.0 3.0
   42    47    51    57   0.62750  1.0 1.0
   42    47    51    57  -0.30950 -1.0 2.0
   42    47    51    57   0.27300  1.0 3.0
   42    47    51    60   3.69350  1.0 1.0
   42    47    51    60  -1.82950 -1.0 2.0
   47    33   -37    40   0.09850  1.0 1.0
   47    33   -37    40   0.15250 -1.0 2.0
   47    33   -37    40  -0.50650  1.0 3.0
   47    33    37    41   0.09700  1.0 1.0
   47    33    37    41   0.15600 -1.0 2.0
   47    33    37    41  -0.50800  1.0 3.0
   47    33    38    39  -0.11600  1.0 1.0
   47    33    38    39  -0.09450 -1.0 2.0
   47    33    38    39   0.21250  1.0 3.0
   47    51    57    58   0.15000  1.0 3.0
   47    51    57    59   0.15000  1.0 3.0
   47    51    57    66   0.86500  1.0 1.0
   47    51    57    66  -0.17500 -1.0 2.0
   47    51    57    66   0.20800  1.0 3.0
   47    51    60    61  -0.11600  1.0 1.0
   47    51    60    61  -0.09450 -1.0 2.0
   47    51    60    61   0.21250  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57   0.15000  1.0 3.0
   48    47    51    60   0.23400  1.0 3.0
   51    57    66    67  -0.11600  1.0 1.0
   51    57    66    67  -0.09450 -1.0 2.0
   51    57    66    67   0.21250  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    66   0.23400  1.0 3.0
   52    51    60    61   0.19450  1.0 3.0
   57    51    60    61  -0.11600  1.0 1.0
   57    51    60    61  -0.09450 -1.0 2.0
   57    51    60    61   0.21250  1.0 3.0
   58    57    66    67   0.19450  1.0 3.0
   59    57    66    67   0.19450  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    66   3.75450  1.0 1.0
   43    40    42    47   2.00000 -1.0 2.0
   41    37    40    42   7.00000 -1.0 2.0
   41    37    40    43   7.00000 -1.0 2.0
   41    45    49    50   0.23400  1.0 3.0
   41    45    49    53   0.62750  1.0 1.0
   41    45    49    53  -0.30950 -1.0 2.0
   41    45    49    53   0.27300  1.0 3.0
   41    45    49    55   1.51850  1.0 1.0
   41    45    72    68  -0.70400  1.0 1.0
   41    45    72    68  -0.90350 -1.0 2.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    62   0.56750  1.0 1.0
   45    49    53    62  -0.07550 -1.0 2.0
   45    49    53    62   0.20000  1.0 3.0
   45    49    53    64  -0.47750  1.0 1.0
   45    49    55    56   0.29150  1.0 1.0
   45    49    55    56  -0.28350 -1.0 2.0
   45    49    55    56   0.43600  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   46    45    72    68   0.37050  1.0 3.0
   49    45    72    68   0.06250  1.0 1.0
   49    45    72    68  -0.01100 -1.0 2.0
   49    45    72    68   0.28050  1.0 3.0
   49    53    62    63   0.15000  1.0 3.0
   49    53   -62    68   0.56750  1.0 1.0
   49    53   -62    68  -0.07550 -1.0 2.0
   49    53   -62    68   0.20000  1.0 3.0
   49    53    62    70  -0.47750  1.0 1.0
   49    53    64    65   0.29150  1.0 1.0
   49    53    64    65  -0.28350 -1.0 2.0
   49    53    64    65   0.43600  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   50    49    53    64   0.23400  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   53    49    55    56   0.29150  1.0 1.0
   53    49    55    56  -0.28350 -1.0 2.0
   53    49    55    56   0.43600  1.0 3.0
   53    62    68    69   0.15000  1.0 3.0
   53    62    68    72   0.62750  1.0 1.0
   53    62    68    72  -0.30950 -1.0 2.0
   53    62    68    72   0.27300  1.0 3.0
   53    62    68    73   0.56750  1.0 1.0
   53    62    68    73  -0.07550 -1.0 2.0
   53    62    68    73   0.20000  1.0 3.0
   53    62    70    71   0.29150  1.0 1.0
   53    62    70    71  -0.28350 -1.0 2.0
   53    62    70    71   0.43600  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    68   0.15000  1.0 3.0
   54    53    62    70   0.23400  1.0 3.0
   54    53    64    65   0.19450  1.0 3.0
   62    53    64    65   0.29150  1.0 1.0
   62    53    64    65  -0.28350 -1.0 2.0
   62    53    64    65   0.43600  1.0 3.0
   62    68   -72    45   0.06250  1.0 1.0
   62    68   -72    45  -0.01100 -1.0 2.0
   62    68   -72    45   0.28050  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    75   0.15000  1.0 3.0
   62    68    73    76  -0.47750  1.0 1.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    72   0.23400  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71   0.29150  1.0 1.0
   68    62    70    71  -0.28350 -1.0 2.0
   68    62    70    71   0.43600  1.0 3.0
   68    73    76    77   0.29150  1.0 1.0
   68    73    76    77  -0.28350 -1.0 2.0
   68    73    76    77   0.43600  1.0 3.0
   69    68    72    45   0.37050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   72    45    49    50   0.23400  1.0 3.0
   72    45   -49    53   0.62750  1.0 1.0
   72    45   -49    53  -0.30950 -1.0 2.0
   72    45   -49    53   0.27300  1.0 3.0
   72    45    49    55   1.51850  1.0 1.0
   72    68    73    74   0.23400  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    76   1.51850  1.0 1.0
   73    68    72    45   0.06250  1.0 1.0
   73    68    72    45  -0.01100 -1.0 2.0
   73    68    72    45   0.28050  1.0 3.0
   74    73    76    77   0.19450  1.0 3.0
   75    73    76    77   0.19450  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    72   1.51850  1.0 1.0
   70    62    68    73  -0.47750  1.0 1.0
   64    53    62    63   0.23400  1.0 3.0
   64    53    62    68  -0.47750  1.0 1.0
   64    53    62    70   3.77950  1.0 1.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    62  -0.47750  1.0 1.0
   55    49    53    64   3.77950  1.0 1.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    47    42   3.69350  1.0 1.0
   38    33    47    42  -1.82950 -1.0 2.0
   38    33    47    48   0.23400  1.0 3.0
   38    33    47    51   0.86500  1.0 1.0
   38    33    47    51  -0.17500 -1.0 2.0
   38    33    47    51   0.20800  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
   33    41    37    40   1.10000 -1.0 2.0
   42    43    40    37   1.10000 -1.0 2.0
END
