* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    135    218     403
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02094    96.46661    28.61575
    3     1 S   H    _H1_     3     1.02113    34.57461   142.39643
    4     1 S   H    _H2_     4     1.02050    83.13901   -79.53483
    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   _C17    36     1.82139    98.17248  -178.16304
   34    33 S   HC   _H12    37     1.09304   106.81487    39.97576
   35    33 S   HC   _H13    38     1.09481   107.55086   156.58863
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C16    39     1.53006   111.19750   -82.05273
   40    39 S   HC   _H5_    40     1.09674   111.46657    55.08363
   41    39 S   CT   _C15    41     1.54213   113.28504   179.17481
   42    41 S   HC   _H4_    42     1.09685   109.62700   159.96164
   43    39 S   OH   _O33    75     1.43417   108.83945   -62.67807
   44    43 S   HO   _H14    76     0.96703   106.04147  -179.97202
   45    41 S   CT   _C14    43     1.54058   115.00360   -75.79599
   46    45 S   HC   _H3_    44     1.09553   109.43831   173.35846
   47    41 S   OH   _O34    73     1.43350   107.40323    44.71543
   48    47 S   HO   _H15    74     0.96784   106.06854   175.32982
   49    45 S   CT   _C13    45     1.53862   114.40789   -64.12027
   50    49 S   HC   _H10    46     1.09812   110.45242   -40.02206
   51    49 S   HC   _H11    47     1.09898   109.11236    73.75060
   52    45 S   OH   _O35    71     1.42954   109.46913    56.83690
   53    52 S   HO   _H16    72     0.96877   106.31333   175.06894
   54    49 S   NE   _N4_    48     1.48457   113.81572  -165.00039
   55    54 S   CA   _C8_    49     1.34516   117.98795    79.96973
   56    54 S   CDX  _C12    61     1.35564   116.36892  -100.04472
   57    55 S   CA   _C7_    50     1.39842   120.28371     0.02798
   58    57 S   HA   _H8_    51     1.08641   122.22732    -0.07402
   59    56 S   NI   _N5_    62     1.35731   117.90438     0.05595
   60    57 S   CA   _C6_    52     1.39484   120.12094  -179.97202
   61    59 S   C    _C18    63     1.33003   120.12280   179.87646
   62    61 S   O    _O36    64     1.22295   127.33708  -179.95577
   63    60 S   CA   _C5_    53     1.39364   120.04715    -0.10835
   64    63 S   HA   _H7_    54     1.08654   120.25001   180.00000
   65    61 S   N    _N6_    65     1.55572   120.07239     0.12195
   66    65 S   H    _H17    66     1.01849   119.97017   179.96044
   67    60 S   OH   _O38    69     1.36133   120.04630  -180.00000
   68    67 S   HO   _H18    70     0.97086   110.27490    -0.04846
   69    63 S   CA   _C4_    55     1.39560   120.16511     0.10279
   70    69 S   HA   _H6_    56     1.08682   119.02974   179.91607
   71    76 S   C    _C19    67     1.46576   118.20788   179.98022
   72    71 S   O    _O37    68     1.21412   129.15569     0.08393
   73    55 S   CA   _C9_    57     1.40745   119.48769   179.94766
   74    73 S   CM   _C10    58     1.39406   118.39798     0.04846
   75    74 S   HC   _H9_    59     1.08803   119.97806   179.97202
   76    74 S   CM   _C11    60     1.39567   119.54513    -0.04846
  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   7   5   4   3
  10   5   4   2   1   1  11   6  13   7   3   1  11   7   3   1
  11   5   4   2   1  12  13  11   9   4   7   7   6   3   7   4
   5   3   2   1   5   2   5   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    52    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    54    52    53    47    48    43    44  
   45    46    49    52    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    55    56    52    53    47    48  
   49    50    51    54    52    53    47  
   48    49    52  
    0  
   50    51    54    55    57    73    76    56    59    52    53  
   51    54    55    56    52  
   54    55    56    52  
   53    54  
    0  
   55    57    58    60    69    73    74    76    56    59    61    71  
   57    58    60    63    69    70    73    74    75    76    56    59    67  
   59    61    62    65    71    72    57    73    74    75    76  
   58    60    63    64    69    73    74    67    68  
   60    63    73    67  
   61    62    65    66    71    74    76  
   63    64    69    70    73    67    68  
   62    65    66    71    72    76  
   65    66    71  
   64    69    70    73    74    67    68  
   69    70    73    67  
   66    71    72    74    76  
   71    72    76  
   68    69  
    0  
   70    73    74    75    76  
   73    74  
   72    73    74    75    76  
   74    76  
   74    75    76  
   75    76  
   76  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.197700   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0700   0.100200   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.536200   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   382.000  1.448
   54    55   481.000  1.340
   54    56   445.000  1.380
   55    57   469.000  1.400
   55    73   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    63   469.000  1.400
   60    67   450.000  1.364
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   320.000  1.460
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    56   427.000  1.433
   76    71   410.000  1.444
   56    59   650.000  1.285
   59    61   415.000  1.368
   61    62   570.000  1.229
   61    65   490.000  1.335
   65    66   434.000  1.010
   65    71   490.000  1.335
   71    72   570.000  1.229
   67    68   553.000  0.945
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    52    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    54    80.00000  111.61500
   45    52    53    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    54    55    50.00000  120.00000
   49    54    56    50.00000  119.50000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    55    57    70.00000  120.10000
   54    55    73    70.00000  120.10000
   54    56    76    75.00000  117.28700
   54    56    59    75.00000  124.36500
   55    57    58    35.00000  120.00000
   55    57    60    63.00000  120.00000
   55    73    69    63.00000  120.00000
   55    73    74    60.00000  120.93500
   57    60    63    63.00000  120.00000
   57    60    67    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    69    63.00000  120.00000
   60    67    68    35.00000  113.00000
   63    69    70    35.00000  120.00000
   63    69    73    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    73    74    60.00000  120.93500
   73    55    57    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    74    75    40.00000  117.26300
   73    74    76    60.00000  123.20500
   74    76    56    65.00000  119.07600
   74    76    71    70.00000  118.70000
   76    74    75    35.00000  120.00000
   76    56    59    65.00000  128.60800
   76    71    65    80.00000  111.56200
   76    71    72    80.00000  125.30000
   56    54    55    50.00000  129.40000
   56    59    61    75.00000  109.13600
   59    61    62    80.00000  126.08800
   59    61    65    90.00000  112.94000
   61    65    66    35.00000  119.80000
   61    65    71    70.00000  121.37400
   65    61    62    80.00000  122.90000
   65    71    72    80.00000  122.90000
   71    76    56    70.00000  118.70000
   71    65    66    35.00000  119.80000
   67    60    63    70.00000  120.00000
   52    45    46    35.00000  109.50000
   52    45    49    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  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    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  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
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    52   0.86500  1.0 1.0
   39    41    45    52  -0.17500 -1.0 2.0
   39    41    45    52   0.20800  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    54   1.26750  1.0 1.0
   41    45    49    54  -0.00950 -1.0 2.0
   41    45    49    54   0.30600  1.0 3.0
   41    45    52    53  -0.11600  1.0 1.0
   41    45    52    53  -0.09450 -1.0 2.0
   41    45    52    53   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    52   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    54    55  -0.12500  1.0 1.0
   45    49    54    55  -0.12500 -1.0 2.0
   45    49    54    55   0.25000  1.0 3.0
   45    49    54    56   0.38950  1.0 1.0
   45    49    54    56  -0.47050 -1.0 2.0
   45    49    54    56   0.83150  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.22950  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    54    55    57  -1.00000  1.0 1.0
   49    54    55    57   1.25000 -1.0 2.0
   49    54    55    73  -1.00000  1.0 1.0
   49    54    55    73   1.25000 -1.0 2.0
   49    54    56    76  -0.54700  1.0 1.0
   49    54    56    76   1.23000 -1.0 2.0
   49    54    56    59  -0.86000  1.0 1.0
   49    54    56    59   0.84650 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    56   0.00000  1.0 1.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    60   3.62500 -1.0 2.0
   54    55    73    69   3.62500 -1.0 2.0
   54    55    73    74   3.62500 -1.0 2.0
   54    56    59    61   6.00000 -1.0 2.0
   55    54    56    76  -0.54500  1.0 1.0
   55    54    56    76   1.14150 -1.0 2.0
   55    54    56    59  -1.45100  1.0 1.0
   55    54    56    59   1.83200 -1.0 2.0
   55    57    60    63   3.62500 -1.0 2.0
   55    57    60    67   3.62500 -1.0 2.0
   55    73    74    75   0.56550  1.0 3.0
   55    73   -74    76   0.15800  1.0 1.0
   55    73   -74    76   1.85350 -1.0 2.0
   55    73   -74    76  -0.48700  1.0 3.0
   57    55    73    69   3.62500 -1.0 2.0
   57    55    73    74   3.62500 -1.0 2.0
   57    60    63    64   3.62500 -1.0 2.0
   57    60   -63    69   3.62500 -1.0 2.0
   57    60    67    68   0.84100 -1.0 2.0
   58    57    60    63   3.62500 -1.0 2.0
   58    57    60    67   3.62500 -1.0 2.0
   60    63    69    70   3.62500 -1.0 2.0
   60    63    69    73   3.62500 -1.0 2.0
   63    60    67    68   0.84100 -1.0 2.0
   63    69   -73    55   3.62500 -1.0 2.0
   63    69    73    74   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    73   3.62500 -1.0 2.0
   69    73    74    75   0.56550  1.0 3.0
   69    73    74    76   0.15800  1.0 1.0
   69    73    74    76   1.85350 -1.0 2.0
   69    73    74    76  -0.48700  1.0 3.0
   70    69    73    55   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    55    57    58   3.62500 -1.0 2.0
   73    55   -57    60   3.62500 -1.0 2.0
   73    74    76    56   7.00000 -1.0 2.0
   73    74    76    71   7.00000 -1.0 2.0
   74    76   -56    54   1.09700  1.0 1.0
   74    76   -56    54   0.56350 -1.0 2.0
   74    76   -56    54   0.49350  1.0 3.0
   74    76    56    59   1.09650  1.0 1.0
   74    76    56    59   0.48950 -1.0 2.0
   74    76    56    59   0.49400  1.0 3.0
   74    76    71    65   0.49500  1.0 1.0
   74    76    71    65   1.31600 -1.0 2.0
   74    76    71    65  -0.02300  1.0 3.0
   74    76    71    72   1.00000 -1.0 2.0
   75    74    76    56   7.00000 -1.0 2.0
   75    74    76    71   7.00000 -1.0 2.0
   76    56    59    61   6.00000 -1.0 2.0
   56    54    55    57  -0.02750  1.0 1.0
   56    54    55    57   0.06100 -1.0 2.0
   56    54   -55    73  -0.02750  1.0 1.0
   56    54   -55    73   0.06100 -1.0 2.0
   56    76    71    65   0.49500  1.0 1.0
   56    76    71    65   1.31600 -1.0 2.0
   56    76    71    65  -0.02300  1.0 3.0
   56    76    71    72   1.00000 -1.0 2.0
   56    59    61    62   3.09300 -1.0 2.0
   56    59   -61    65  -5.73250  1.0 1.0
   56    59   -61    65   0.67550 -1.0 2.0
   59    61    65    66   2.56700 -1.0 2.0
   59    61    65    71   2.00000 -1.0 2.0
   61    65   -71    76   2.45000 -1.0 2.0
   61    65    71    72   2.22250 -1.0 2.0
   62    61    65    66   2.45000 -1.0 2.0
   62    61    65    71   2.22250 -1.0 2.0
   66    65    71    76   2.56700 -1.0 2.0
   66    65    71    72   2.45000 -1.0 2.0
   71    76    56    54   7.00000 -1.0 2.0
   71    76   -56    59   7.00000 -1.0 2.0
   67    60    63    64   3.62500 -1.0 2.0
   67    60    63    69   3.62500 -1.0 2.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    54   4.07950  1.0 1.0
   52    45    49    54  -0.26450 -1.0 2.0
   52    45    49    54  -0.12150  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    52   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   55    56    54    49   1.00000 -1.0 2.0
   57    73    55    54   4.00000 -1.0 2.0
   60    58    57    55   1.10000 -1.0 2.0
   63    67    60    57   4.00000 -1.0 2.0
   69    64    63    60   1.10000 -1.0 2.0
   73    70    69    63   1.10000 -1.0 2.0
   69    74    73    55   4.00000 -1.0 2.0
   73    75    74    76   1.10000 -1.0 2.0
   56    71    76    74   1.10000 -1.0 2.0
   54    76    56    59  10.50000 -1.0 2.0
   59    65    61    62  10.50000 -1.0 2.0
   66    61    65    71   1.00000 -1.0 2.0
   76    65    71    72  10.50000 -1.0 2.0
END
