* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    228     414
    1     0 S   NP   _N1_     1    28.86749    98.33819   -23.76171
    2     1 S   H    _HN1     2     1.02950    66.16691     1.91653
    3     1 S   H    _H1_     3     1.02827    42.89399   163.20745
    4     1 S   H    _H2_     4     1.02787   108.77412  -100.42369
    5     1 S   CT   _CA1     5     1.50118   137.27007    96.69291
    6     5 S   HC   _HA1     6     1.09572   105.18953   101.16160
    7     5 S   CO3  _C1_     7     1.53783   112.48423   -19.07960
    8     7 S   O2Z  _O11     8     1.26374   115.00679   -41.92321
    9     7 S   O2Z  _O12     9     1.26238   114.94423   137.19703
   10     5 S   CT   _CB1    10     1.53067   107.41358  -140.83405
   11    10 S   HC   HB11    11     1.09836   109.36739   -49.47477
   12    10 S   HC   HB12    12     1.09813   110.44080    67.12647
   13    10 S   CT   _CG1    13     1.53001   112.63251  -170.44062
   14    13 S   HC   HG11    14     1.09577   110.66676   -65.99847
   15    13 S   HC   HG12    15     1.09669   109.76689    53.25701
   16    13 S   C    _CD1    16     1.51794   112.14672   173.72271
   17    16 S   O    _OE1    17     1.22728   123.24275     8.29934
   18    16 S   N    _N2_    18     1.38652   111.73357  -171.77667
   19    18 S   H    _HN2    19     1.01576   118.91130     1.98347
   20    18 S   CT1  _CA2    20     1.46227   123.38311   177.27861
   21    20 S   HC   _HA2    21     1.09739   109.42352     5.14575
   22    20 S   C    _C2_    22     1.53587   108.41537  -110.40156
   23    22 S   O    _O2_    23     1.23061   122.32573  -145.59737
   24    20 S   CT   _CB2    32     1.53452   111.65133   127.22542
   25    24 S   HC   HB21    33     1.09503   109.65773    56.26300
   26    24 S   HC   HB22    34     1.09301   109.68717   175.01784
   27    22 S   N    _N3_    24     1.38342   113.70422    41.62747
   28    27 S   H    _HN3    25     1.01570   119.62669    -2.78122
   29    24 S   S    _SG2    35     1.82845   111.25911   -64.11335
   30    27 S   CT   _CA3    26     1.45282   123.19936   177.32314
   31    30 S   HC   HA31    27     1.09549   107.46763   -65.59750
   32    30 S   HC   HA32    28     1.09557   108.03369    50.84456
   33    29 S   CT   _C21    36     1.86472   101.76654  -167.97269
   34    30 S   CO3  _C3_    29     1.52960   114.09586   172.86854
   35    34 S   O2Z  _O31    30     1.26374   116.09305    -1.06238
   36    34 S   O2Z  _O32    31     1.26432   114.40479   179.00771
   37    33 S   CM   _C8_    37     1.52703   107.07746  -179.33207
   38    37 S   CM   _C7_    38     1.34492   121.53173    88.21968
   39    38 S   HC   _H5_    39     1.08284   124.27611  -179.86012
   40    37 S   NIP  _N5_    47     1.42744   110.06451   -95.94207
   41    38 S   CO4  _C9_    40     1.48153   120.37312     0.68357
   42    41 S   O    _O5_    41     1.22117   122.29931  -169.32526
   43    40 S   CT1  _C20    48     1.50030   109.11143    -2.43059
   44    43 S   HC   _H15    49     1.09630   108.47617  -134.70165
   45    40 S   CG   _C13    56     1.29353   121.87745  -177.05264
   46    45 S   HC   _H7_    57     1.09580   118.88231    -3.72415
   47    41 S   CO4  _C11    42     1.51131   118.31706    12.36726
   48    47 S   O    _O6_    43     1.22155   119.26351  -173.27104
   49    33 S   CT   _C18    50     1.53503   112.67045    70.84072
   50    49 S   HC   _H12    51     1.09338   113.69543   -44.13686
   51    49 S   HC   _H13    52     1.10013   109.86903  -162.59663
   52    43 S   CO3  _C15    53     1.54038   112.21280   105.33247
   53    52 S   O2Z  _O4_    54     1.26547   114.31645  -164.13276
   54    52 S   O2Z  _O8_    55     1.26177   116.95169    17.16527
   55    45 S   CM   _C12    58     1.48253   124.47979   175.71248
   56    55 S   HC   _H6_    59     1.08650   116.75803     7.65673
   57    33 S   CT   _C17    44     1.53028   112.05509   -57.48008
   58    57 S   HC   _H10    45     1.09800   111.07759   175.84093
   59    57 S   HC   _H11    46     1.09379   112.32816    56.62127
   60    55 S   CM   _C10    60     1.34636   123.85634  -172.31592
   61    60 S   CM   _C6_    61     1.46454   119.03374   178.99888
   62    61 S   HC   _H4_    62     1.08647   117.42721   -10.91396
   63    61 S   CM   _C4_    63     1.34524   121.70141   168.44752
   64    63 S   NE   _N4_    64     1.38302   121.61359    -2.58414
   65    64 S   H    _H3_    65     1.01683   116.09355  -172.36984
   66    63 S   CO3  _C5_    74     1.55885   119.62705   178.93192
   67    66 S   O2Z  _O1_    75     1.26763   114.70287   175.55137
   68    66 S   O2Z  _O33    76     1.26472   116.59664    -4.87785
   69    64 S   CT1  _C19    66     1.45311   123.36827    -7.39407
   70    69 S   HC   _H14    67     1.09764   108.49645   148.36439
   71    60 S   CT   _C16    68     1.52308   126.35473     1.05443
   72    71 S   HC   _H8_    69     1.09305   112.50156   -20.48979
   73    71 S   HC   _H9_    70     1.09941   106.93375    95.76458
   74    69 S   CO3  _C14    71     1.54063   108.17044   -96.87615
   75    74 S   O2Z  _O3_    72     1.26674   114.82324   -59.84174
   76    74 S   O2Z  _O7_    73     1.26362   116.35966   121.97575
  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  12   5   4   3
  17   2   1   1  18  10   4  15   6   3  11   7   8   3   5   3
   8   3   2   2   1   1   9   3   2   1   1  11  11   4   9  12
   5   3   1   1   7   6   5   2   1   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    57    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    57    58    59    40    43    49    50    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    47    48    57    58    59    40    43    44    49    50    51    52    45  
   35    36  
   36  
    0  
   38    39    41    42    47    57    58    59    40    43    44    49    50    51    52    45    46    55  
   39    41    42    47    48    57    40    43    49    45  
   41    42    47    40  
   43    44    49    50    51    52    53    54    45    46    55    56    60    41    57  
   42    47    48    57    58    59  
   47    48    57  
   44    49    50    51    52    53    54    45    46    55    57  
   49    50    51    52    53    54    45  
   46    55    56    60    61    71    49    52  
   55    56    60  
   48    57    58    59    49  
   57    58    59  
   50    51    52    53    54    57    58    59  
   51    52    57  
   52    57  
   53    54  
   54  
    0  
   56    60    61    62    63    69    71    72    73  
   60    61    71  
   58    59  
   59  
    0  
   61    62    63    64    69    70    71    72    73    74    66  
   62    63    64    65    69    71    72    73    66    67    68  
   63    64    71    66  
   64    65    69    70    71    74    66    67    68  
   65    69    70    71    72    73    74    75    76    66    67    68  
   69    70    71    74    66  
   67    68    69  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74  
   74  
   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   0.167500   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   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   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   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   64   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    57   268.000  1.529
   33    49   268.000  1.529
   37    38   549.000  1.340
   37    40   335.000  1.413
   38    39   340.000  1.080
   38    41   320.000  1.462
   41    42   570.000  1.229
   41    47   250.000  1.523
   47    48   570.000  1.229
   47    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   40    43   280.000  1.462
   40    45   635.000  1.286
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    52   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   52    53   656.000  1.250
   52    54   656.000  1.250
   45    46   385.000  1.083
   45    55   400.000  1.403
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   380.000  1.444
   60    71   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   425.000  1.378
   63    66   230.000  1.545
   64    65   434.000  1.010
   64    69   382.000  1.448
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   74    75   656.000  1.250
   74    76   656.000  1.250
   66    67   656.000  1.250
   66    68   656.000  1.250
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    57    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    70.00000  115.00000
   33    57    47    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    49    43    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    51    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    41    65.00000  118.96000
   37    40    43    70.00000  121.00000
   37    40    45    70.00000  118.46000
   38    41    42    80.00000  123.72100
   38    41    47    65.00000  116.00000
   41    38    39    40.00000  117.72500
   41    47    48    80.00000  119.30300
   41    47    57    65.00000  115.45000
   47    41    42    80.00000  119.30300
   47    57    58    35.00000  109.50000
   47    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   57    47    48    80.00000  120.40000
   59    57    58    33.00000  107.80000
   40    37    38    70.00000  113.56000
   40    43    44    50.00000  106.46400
   40    43    49    75.00000  111.57000
   40    43    52    75.00000  110.00000
   40    45    46    45.00000  118.03900
   40    45    55    65.00000  126.03000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    52    53    70.00000  117.00000
   43    52    54    70.00000  117.00000
   49    33    37    70.00000  112.02700
   49    33    57    58.35000  112.70000
   49    43    44    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    49    63.00000  111.10000
   54    52    53    80.00000  126.00000
   45    40    43    70.00000  122.59000
   45    55    56    40.00000  116.17200
   45    55    60    65.00000  121.68800
   55    45    46    40.00000  123.36000
   55    60    61    70.00000  123.01800
   55    60    71    70.00000  124.00000
   60    55    56    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    63    70.00000  123.01800
   60    71    69    70.00000  112.02700
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   61    63    64    70.00000  124.03900
   61    63    66    55.00000  124.75400
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  114.50000
   63    64    69    50.00000  121.00000
   63    66    67    85.00000  113.83300
   63    66    68    85.00000  113.83300
   64    69    70    35.00000  109.50000
   64    69    71    80.00000  111.61500
   64    69    74    63.00000  110.10000
   69    64    65    35.00000  112.50000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    74    75    70.00000  117.00000
   69    74    76    70.00000  117.00000
   71    60    61    70.00000  124.00000
   71    69    70    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    63.00000  111.10000
   76    74    75    80.00000  126.00000
   66    63    64    80.00000  114.48000
   68    66    67    80.00000  126.00000
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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    57    47   0.56750  1.0 1.0
   29    33    57    47  -0.07550 -1.0 2.0
   29    33    57    47   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    49    43   0.44750  1.0 1.0
   29    33    49    43  -0.17800 -1.0 2.0
   29    33    49    43   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37   -40    43   5.00000 -1.0 2.0
   33    37    40    45   5.00000 -1.0 2.0
   37    33    57    47  -0.98800  1.0 1.0
   37    33    57    47   0.48800 -1.0 2.0
   37    33    57    47   0.76800  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33   -49    43   0.34400  1.0 1.0
   37    33   -49    43   0.09450 -1.0 2.0
   37    33   -49    43   0.11100  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    51   0.15000  1.0 3.0
   37    38    41    42   1.00000 -1.0 2.0
   37    38   -41    47   0.50400  1.0 1.0
   37    38   -41    47   1.60000 -1.0 2.0
   37    38   -41    47  -0.01800  1.0 3.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    49   0.00000  1.0 1.0
   37    40    43    52   0.00000  1.0 1.0
   37    40    45    46   2.00000 -1.0 2.0
   37    40    45    55   2.00000 -1.0 2.0
   38    37    40    43   5.00000 -1.0 2.0
   38    37    40    45   5.00000 -1.0 2.0
   38    41    47    48   0.03000  1.0 1.0
   38    41    47    48   0.58800 -1.0 2.0
   38    41    47    48   0.15550  1.0 3.0
   38    41    47    57   0.43900  1.0 1.0
   38    41    47    57  -0.18150 -1.0 2.0
   38    41    47    57  -0.03650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    47   0.92800 -1.0 2.0
   41    47   -57    33   0.65300  1.0 1.0
   41    47   -57    33  -0.03850 -1.0 2.0
   41    47   -57    33   0.33900  1.0 3.0
   41    47    57    58   0.00000  1.0 1.0
   41    47    57    59   0.00000  1.0 1.0
   42    41    47    48   0.06100 -1.0 2.0
   42    41    47    57   0.49600 -1.0 2.0
   48    47    57    33   0.30150 -1.0 2.0
   48    47    57    58   0.00000  1.0 1.0
   48    47    57    59   0.00000  1.0 1.0
   57    33   -37    38   0.09850  1.0 1.0
   57    33   -37    38   0.15250 -1.0 2.0
   57    33   -37    38  -0.50650  1.0 3.0
   57    33    37    40   0.09700  1.0 1.0
   57    33    37    40   0.15600 -1.0 2.0
   57    33    37    40  -0.50800  1.0 3.0
   57    33    49    43   0.56750  1.0 1.0
   57    33    49    43  -0.07550 -1.0 2.0
   57    33    49    43   0.20000  1.0 3.0
   57    33    49    50   0.15000  1.0 3.0
   57    33    49    51   0.15000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    43   -49    33   0.56750  1.0 1.0
   40    43   -49    33  -0.07550 -1.0 2.0
   40    43   -49    33   0.20000  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    51   0.15000  1.0 3.0
   40    43    52    53   0.30150 -1.0 2.0
   40    43    52    54   0.30150 -1.0 2.0
   40    45    55    56   0.97550 -1.0 2.0
   40    45    55    60   1.09700  1.0 1.0
   40    45    55    60   0.56350 -1.0 2.0
   40    45    55    60   0.49350  1.0 3.0
   43    40    45    46   2.00000 -1.0 2.0
   43    40    45    55   2.00000 -1.0 2.0
   44    43    49    33   0.15000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    52    53   0.00000  1.0 1.0
   44    43    52    54   0.00000  1.0 1.0
   49    33    37    38   0.09850  1.0 1.0
   49    33    37    38   0.15250 -1.0 2.0
   49    33    37    38  -0.50650  1.0 3.0
   49    33   -37    40   0.09700  1.0 1.0
   49    33   -37    40   0.15600 -1.0 2.0
   49    33   -37    40  -0.50800  1.0 3.0
   49    33    57    47  -0.95700  1.0 1.0
   49    33    57    47  -0.18200 -1.0 2.0
   49    33    57    47   0.29450  1.0 3.0
   49    33    57    58   0.15000  1.0 3.0
   49    33    57    59   0.15000  1.0 3.0
   49    43    52    53   0.00000  1.0 1.0
   49    43    52    54   0.00000  1.0 1.0
   52    43    49    33  -0.84850  1.0 1.0
   52    43    49    33  -0.22800 -1.0 2.0
   52    43    49    33   0.29250  1.0 3.0
   52    43    49    50  -0.03800  1.0 3.0
   52    43    49    51  -0.03800  1.0 3.0
   45    40    43    44  -0.22200  1.0 3.0
   45    40    43    49   0.00000  1.0 1.0
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   45    55    60    61   7.00000 -1.0 2.0
   45    55    60    71   7.00000 -1.0 2.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    60   1.36050 -1.0 2.0
   55    60    61    62  -0.18600  1.0 3.0
   55    60    61    63   0.28850  1.0 1.0
   55    60    61    63   2.61350 -1.0 2.0
   55    60    61    63   0.78400  1.0 3.0
   55    60    71    69   0.09850  1.0 1.0
   55    60    71    69   0.15250 -1.0 2.0
   55    60    71    69  -0.50650  1.0 3.0
   55    60    71    72   0.00000  1.0 1.0
   55    60    71    73   0.00000  1.0 1.0
   56    55    60    61   7.00000 -1.0 2.0
   56    55    60    71   7.00000 -1.0 2.0
   60    61    63    64   7.00000 -1.0 2.0
   60    61    63    66   7.00000 -1.0 2.0
   61    60    71    69   0.98200  1.0 1.0
   61    60    71    69  -0.11900 -1.0 2.0
   61    60    71    69   0.24250  1.0 3.0
   61    60    71    72   0.00000  1.0 1.0
   61    60    71    73   0.00000  1.0 1.0
   61    63    64    65   1.00000 -1.0 2.0
   61    63   -64    69  -0.54700  1.0 1.0
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   61    63    66    67  -0.04000 -1.0 2.0
   61    63    66    67  -0.29050  1.0 3.0
   61    63    66    68  -0.04000 -1.0 2.0
   61    63    66    68  -0.29050  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    66   7.00000 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.25450  1.0 1.0
   63    64    69    71  -0.61700 -1.0 2.0
   63    64    69    71  -0.23550  1.0 3.0
   63    64    69    74  -0.12500  1.0 1.0
   63    64    69    74  -0.12500 -1.0 2.0
   63    64    69    74   0.25000  1.0 3.0
   64    63    66    67   1.91650 -1.0 2.0
   64    63    66    68   1.91650 -1.0 2.0
   64    69   -71    60   0.21700  1.0 1.0
   64    69   -71    60   0.68550 -1.0 2.0
   64    69   -71    60  -0.27950  1.0 3.0
   64    69    71    72   0.22950  1.0 3.0
   64    69    71    73   0.22950  1.0 3.0
   64    69    74    75   0.00000  1.0 1.0
   64    69    74    76   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   65    64    69    74   0.00000  1.0 1.0
   70    69    71    60   0.15000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    74    75   0.00000  1.0 1.0
   70    69    74    76   0.00000  1.0 1.0
   71    60    61    62   0.00000  1.0 1.0
   71    60   -61    63  -0.18600  1.0 3.0
   71    69    74    75   0.00000  1.0 1.0
   71    69    74    76   0.00000  1.0 1.0
   74    69    71    60  -0.98800  1.0 1.0
   74    69    71    60   0.48800 -1.0 2.0
   74    69    71    60   0.76800  1.0 3.0
   74    69    71    72  -0.03800  1.0 3.0
   74    69    71    73  -0.03800  1.0 3.0
   66    63    64    65   1.82350 -1.0 2.0
   66    63    64    69   1.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   38    47    41    42  10.50000 -1.0 2.0
   41    57    47    48  10.50000 -1.0 2.0
   37    43    40    45   1.00000 -1.0 2.0
   53    43    52    54  10.50000 -1.0 2.0
   55    46    45    40  10.50000 -1.0 2.0
   45    56    55    60   1.10000 -1.0 2.0
   61    71    60    55   1.10000 -1.0 2.0
   60    62    61    63   1.10000 -1.0 2.0
   64    66    63    61   1.10000 -1.0 2.0
   69    63    64    65   1.00000 -1.0 2.0
   75    69    74    76  10.50000 -1.0 2.0
   67    63    66    68  10.50000 -1.0 2.0
END
