* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    236     438
    1     0 S   NP   _N1_     1    29.40341    92.02327   -23.04300
    2     1 S   H    _HN1     2     1.02772   103.77701   -81.02050
    3     1 S   H    _H1_     3     1.02966    96.02883    29.56568
    4     1 S   H    _H2_     4     1.02827    14.38267   170.23408
    5     1 S   CT   _CA1     5     1.50152   124.30273   149.21440
    6     5 S   HC   _HA1     6     1.09580   105.19399    64.62173
    7     5 S   CO3  _C1_     7     1.53781   112.44275   -55.41333
    8     7 S   O2Z  _O11     8     1.26351   115.01790   -41.54873
    9     7 S   O2Z  _O12     9     1.26254   114.91702   137.51031
   10     5 S   CT   _CB1    10     1.53074   107.35496  -177.59133
   11    10 S   HC   HB11    11     1.09820   109.16347   -51.46837
   12    10 S   HC   HB12    12     1.09820   110.42060    64.98298
   13    10 S   CT   _CG1    13     1.53012   112.80963  -172.70287
   14    13 S   HC   HG11    14     1.09596   110.29478   -65.04486
   15    13 S   HC   HG12    15     1.09641   110.13192    54.20933
   16    13 S   C    _CD1    16     1.51790   112.25260   174.32912
   17    16 S   O    _OE1    17     1.22745   123.22150    -7.94312
   18    16 S   N    _N2_    18     1.38697   111.74742   172.76920
   19    18 S   H    _HN2    19     1.01580   119.12469     1.45253
   20    18 S   CT1  _CA2    20     1.46052   123.18638  -179.09604
   21    20 S   HC   _HA2    21     1.09578   109.23595    -6.17673
   22    20 S   C    _C2_    22     1.53464   109.05461  -121.35044
   23    22 S   O    _O2_    23     1.23046   122.00315  -148.80690
   24    20 S   CT   _CB2    32     1.53478   111.83097   116.01043
   25    24 S   HC   HB21    33     1.09659   109.54612    65.14866
   26    24 S   HC   HB22    34     1.09579   110.73805  -177.68151
   27    22 S   N    _N3_    24     1.38441   113.59528    38.75693
   28    27 S   H    _HN3    25     1.01511   118.93411    -0.95285
   29    24 S   S    _SG2    35     1.82894   115.04584   -54.60217
   30    27 S   CT   _CA3    26     1.45450   123.53124   174.83935
   31    30 S   HC   HA31    27     1.09517   109.35861    22.49488
   32    30 S   HC   HA32    28     1.09499   107.11290   139.52622
   33    29 S   CT   _C18    36     1.82656   100.01900   -65.53557
   34    33 S   HC   _H22    37     1.09459   107.48698   -60.42814
   35    33 S   HC   _H23    38     1.09206   108.71851    57.50647
   36    30 S   CO3  _C3_    29     1.52914   112.94909  -101.04665
   37    36 S   O2Z  _O31    30     1.26413   115.33753   -46.35214
   38    36 S   O2Z  _O32    31     1.26341   115.03073   134.52071
   39    33 S   CT   _C16    39     1.52719   110.96111   179.12531
   40    39 S   HC   _H8_    40     1.09874   110.82185    42.66760
   41    39 S   CO4  _C17    41     1.51897   114.31341   -78.63497
   42    41 S   O    _O35    42     1.22040   126.79498    35.54056
   43    41 S   OS   _O36    43     1.37313   109.31881  -145.65378
   44    43 S   CT   _C7_    44     1.43177   108.93390    -2.94045
   45    44 S   HC   _H3_    45     1.09872   106.26164   -89.04595
   46    44 S   CT   _C6_    46     1.52623   112.22051   153.47189
   47    46 S   HC   _H12    47     1.09746   109.11496    47.93901
   48    46 S   HC   _H13    48     1.09856   106.90996   162.88234
   49    46 S   CT   _C5_    49     1.55316   115.86181   -76.34903
   50    49 S   CT   _C10    50     1.56122   109.02617   -48.72296
   51    50 S   HC   _H5_    51     1.10180   107.58191   -59.23814
   52    49 S   CT   _C4_    72     1.55113   109.14730    74.16783
   53    52 S   HC   _H9_    73     1.09411   112.19037   176.27133
   54    52 S   HC   _H10    74     1.09581   111.14749    56.25383
   55    52 S   HC   _H11    75     1.09227   112.68483   -63.57596
   56    50 S   CM   _C11    52     1.53008   110.46808  -173.78501
   57    50 S   CT   _C9_    67     1.53971   111.49621    55.88283
   58    57 S   HC   _H14    68     1.09610   110.06530    65.66764
   59    57 S   HC   _H15    69     1.09787   109.25646  -178.03149
   60    56 S   CT   _C13    53     1.51943   112.69663    58.81221
   61    60 S   HC   _H6_    54     1.09705   108.26633    64.54127
   62    56 S   CM   _C12    64     1.34431   124.41891  -121.09072
   63    62 S   HC   _H16    65     1.08505   121.69589   180.00000
   64    62 S   HC   _H17    66     1.08368   122.53779     0.27411
   65    39 S   CT   _C8_    70     1.53583   114.74837   165.93135
   66    65 S   HC   _H4_    71     1.09685   110.90645   -83.83049
   67    60 S   CT   _C14    55     1.52854   110.86693   -55.91341
   68    67 S   HC   _H18    56     1.09838   109.59484   174.31383
   69    67 S   HC   _H19    57     1.09802   110.65804   -71.93728
   70    60 S   OH   _O34    62     1.42443   112.10186  -177.64482
   71    70 S   HO   _H21    63     0.97222   107.60044  -178.03537
   72    49 S   CT   _C15    58     1.56402   108.34306  -166.48763
   73    72 S   HC   _H7_    59     1.09802   108.97400    52.27988
   74    72 S   OH   _O33    60     1.42592   110.47748   -64.70911
   75    74 S   HO   _H20    61     0.97237   107.71635   178.38493
  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
  11   5   4   2   1   1  13   7   8   3   9  13   7  17   6   5
  20  21   9   9   3   2   1  15   7   3   2  12   7   4   1   1
   1   1   8   5   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    65  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    57    65    66  
   35    39    40    41    65  
   39    40    41    65  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    50    57    58    59    65    66  
   41    42    43    44    57    65    66  
   42    43    44    45    46    57    65    66  
   43    44    65  
   44    45    46    47    48    49    57    65    66  
   45    46    47    48    49    50    72    57    58    59    65    66    52  
   46    47    48    49    57    65    66  
   47    48    49    50    51    56    67    72    73    74    57    65    66    52    53    54    55  
   48    49    50    72    65    52  
   49    50    72    65    52  
   50    51    56    60    67    68    69    72    73    74    75    62    57    58    59    65    52    53    54    55  
   51    56    60    61    67    72    73    74    70    62    63    64    57    58    59    65    66    52    53    54    55  
   56    60    72    62    57    58    59    65    52  
   53    54    55    56    57    67    72    73    74  
   54    55    72  
   55    72  
   72  
   60    61    67    68    69    72    70    71    62    63    64    57    58    59    65  
   58    59    65    66    60    62    72  
   59    65    66  
   65    66  
   61    67    68    69    72    73    74    70    71    62    63    64  
   67    68    69    72    70    71    62  
   63    64    67    70  
   64  
    0  
   66  
    0  
   68    69    72    73    74    75    70    71  
   69    72    73    74    70  
   72    73    74    70  
   71    72  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    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   317.000  1.522
   39    65   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    65   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    72   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   317.000  1.510
   50    57   268.000  1.529
   56    60   317.000  1.510
   56    62   549.000  1.340
   60    61   340.000  1.090
   60    67   268.000  1.529
   60    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   320.000  1.410
   74    75   553.000  0.945
   70    71   553.000  0.945
   62    63   340.000  1.080
   62    64   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    63.00000  111.10000
   33    39    65    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    65    44    58.35000  112.70000
   39    65    57    58.35000  112.70000
   39    65    66    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    65    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    65    57    58.35000  112.70000
   44    65    66    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    49    50    58.35000  112.70000
   46    49    72    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    51    37.50000  110.70000
   49    50    56    70.00000  112.02700
   49    50    57    58.35000  112.70000
   49    72    67    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    50.00000  109.50000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    60    65.00000  117.92700
   50    56    62    70.00000  124.00000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    65    58.35000  112.70000
   56    50    51    35.00000  109.50000
   56    60    61    35.00000  109.50000
   56    60    67    70.00000  112.02700
   56    60    70    90.00000  110.39200
   56    62    63    35.00000  120.00000
   56    62    64    35.00000  120.00000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    72    58.35000  112.70000
   60    70    71    55.00000  108.50000
   67    60    61    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    50.00000  109.50000
   69    67    68    33.00000  107.80000
   72    49    50    58.35000  112.70000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    74    75    55.00000  108.50000
   74    72    73    35.00000  109.50000
   70    60    61    35.00000  109.50000
   70    60    67    50.00000  109.50000
   62    56    60    70.00000  124.00000
   64    62    63    35.00000  117.00000
   57    50    51    37.50000  110.70000
   57    50    56    70.00000  112.02700
   57    65    66    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    39    40    37.50000  110.70000
   65    39    41    63.00000  111.10000
   65    44    45    37.50000  110.70000
   65    44    46    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   52    49    50    58.35000  112.70000
   52    49    72    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    65    44   0.56750  1.0 1.0
   33    39    65    44  -0.07550 -1.0 2.0
   33    39    65    44   0.20000  1.0 3.0
   33    39    65    57   0.56750  1.0 1.0
   33    39    65    57  -0.07550 -1.0 2.0
   33    39    65    57   0.20000  1.0 3.0
   33    39    65    66   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    65   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    65   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    65    44   0.15000  1.0 3.0
   40    39    65    57   0.15000  1.0 3.0
   40    39    65    66   0.15000  1.0 3.0
   41    39   -65    44  -0.95700  1.0 1.0
   41    39   -65    44  -0.18200 -1.0 2.0
   41    39   -65    44   0.29450  1.0 3.0
   41    39    65    57  -0.95700  1.0 1.0
   41    39    65    57  -0.18200 -1.0 2.0
   41    39    65    57   0.29450  1.0 3.0
   41    39    65    66  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    65  -0.25900  1.0 1.0
   41    43   -44    65  -0.47000 -1.0 2.0
   41    43   -44    65   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44   -65    39   0.62750  1.0 1.0
   43    44   -65    39  -0.30950 -1.0 2.0
   43    44   -65    39   0.27300  1.0 3.0
   43    44    65    57   0.62750  1.0 1.0
   43    44    65    57  -0.30950 -1.0 2.0
   43    44    65    57   0.27300  1.0 3.0
   43    44    65    66   0.23400  1.0 3.0
   44    46    49    50   0.56750  1.0 1.0
   44    46    49    50  -0.07550 -1.0 2.0
   44    46    49    50   0.20000  1.0 3.0
   44    46    49    72   0.56750  1.0 1.0
   44    46    49    72  -0.07550 -1.0 2.0
   44    46    49    72   0.20000  1.0 3.0
   44    46    49    52   0.56750  1.0 1.0
   44    46    49    52  -0.07550 -1.0 2.0
   44    46    49    52   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    65    39   0.15000  1.0 3.0
   45    44    65    57   0.15000  1.0 3.0
   45    44    65    66   0.15000  1.0 3.0
   46    44    65    39   0.56750  1.0 1.0
   46    44    65    39  -0.07550 -1.0 2.0
   46    44    65    39   0.20000  1.0 3.0
   46    44    65    57   0.56750  1.0 1.0
   46    44    65    57  -0.07550 -1.0 2.0
   46    44    65    57   0.20000  1.0 3.0
   46    44    65    66   0.15000  1.0 3.0
   46    49    50    51   0.15000  1.0 3.0
   46    49    50    56   0.34400  1.0 1.0
   46    49    50    56   0.09450 -1.0 2.0
   46    49    50    56   0.11100  1.0 3.0
   46    49   -50    57   0.56750  1.0 1.0
   46    49   -50    57  -0.07550 -1.0 2.0
   46    49   -50    57   0.20000  1.0 3.0
   46    49    72    67   0.56750  1.0 1.0
   46    49    72    67  -0.07550 -1.0 2.0
   46    49    72    67   0.20000  1.0 3.0
   46    49    72    73   0.15000  1.0 3.0
   46    49    72    74   0.86500  1.0 1.0
   46    49    72    74  -0.17500 -1.0 2.0
   46    49    72    74   0.20800  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    72   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    72   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    50    56    60   0.46850  1.0 1.0
   49    50    56    60   0.08550 -1.0 2.0
   49    50    56    60   0.09800  1.0 3.0
   49    50    56    62   0.09850  1.0 1.0
   49    50    56    62   0.15250 -1.0 2.0
   49    50    56    62  -0.50650  1.0 3.0
   49    50    57    58   0.15000  1.0 3.0
   49    50    57    59   0.15000  1.0 3.0
   49    50    57    65   0.56750  1.0 1.0
   49    50    57    65  -0.07550 -1.0 2.0
   49    50    57    65   0.20000  1.0 3.0
   49    72    74    75  -0.11600  1.0 1.0
   49    72    74    75  -0.09450 -1.0 2.0
   49    72    74    75   0.21250  1.0 3.0
   50    49    72    67   0.56750  1.0 1.0
   50    49    72    67  -0.07550 -1.0 2.0
   50    49    72    67   0.20000  1.0 3.0
   50    49    72    73   0.15000  1.0 3.0
   50    49    72    74   0.86500  1.0 1.0
   50    49    72    74  -0.17500 -1.0 2.0
   50    49    72    74   0.20800  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    56    60    61   0.34800  1.0 3.0
   50    56   -60    67   0.46850  1.0 1.0
   50    56   -60    67   0.08550 -1.0 2.0
   50    56   -60    67   0.09800  1.0 3.0
   50    56    60    70   0.18000  1.0 1.0
   50    56    60    70   0.16450 -1.0 2.0
   50    56    60    70   0.04450  1.0 3.0
   50    56    62    63   7.00000 -1.0 2.0
   50    56    62    64   7.00000 -1.0 2.0
   50    57    65    39   0.56750  1.0 1.0
   50    57    65    39  -0.07550 -1.0 2.0
   50    57    65    39   0.20000  1.0 3.0
   50    57   -65    44   0.56750  1.0 1.0
   50    57   -65    44  -0.07550 -1.0 2.0
   50    57   -65    44   0.20000  1.0 3.0
   50    57    65    66   0.15000  1.0 3.0
   51    50    56    60   0.34800  1.0 3.0
   51    50    56    62   0.00000  1.0 1.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    65   0.15000  1.0 3.0
   56    50    57    58   0.15000  1.0 3.0
   56    50    57    59   0.15000  1.0 3.0
   56    50    57    65   0.34400  1.0 1.0
   56    50    57    65   0.09450 -1.0 2.0
   56    50    57    65   0.11100  1.0 3.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    72   0.34400  1.0 1.0
   56    60    67    72   0.09450 -1.0 2.0
   56    60    67    72   0.11100  1.0 3.0
   56    60    70    71  -0.07800  1.0 1.0
   56    60    70    71  -0.21500 -1.0 2.0
   56    60    70    71  -0.03150  1.0 3.0
   60    56    62    63   7.00000 -1.0 2.0
   60    56    62    64   7.00000 -1.0 2.0
   60    67   -72    49   0.56750  1.0 1.0
   60    67   -72    49  -0.07550 -1.0 2.0
   60    67   -72    49   0.20000  1.0 3.0
   60    67    72    73   0.15000  1.0 3.0
   60    67    72    74   0.86500  1.0 1.0
   60    67    72    74  -0.17500 -1.0 2.0
   60    67    72    74   0.20800  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    72   0.15000  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   67    60    70    71  -0.11600  1.0 1.0
   67    60    70    71  -0.09450 -1.0 2.0
   67    60    70    71   0.21250  1.0 3.0
   67    72    74    75  -0.11600  1.0 1.0
   67    72    74    75  -0.09450 -1.0 2.0
   67    72    74    75   0.21250  1.0 3.0
   68    67    72    49   0.15000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.23400  1.0 3.0
   69    67    72    49   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.23400  1.0 3.0
   72    49    50    51   0.15000  1.0 3.0
   72    49   -50    56   0.34400  1.0 1.0
   72    49   -50    56   0.09450 -1.0 2.0
   72    49   -50    56   0.11100  1.0 3.0
   72    49    50    57   0.56750  1.0 1.0
   72    49    50    57  -0.07550 -1.0 2.0
   72    49    50    57   0.20000  1.0 3.0
   72    49    52    53   0.15000  1.0 3.0
   72    49    52    54   0.15000  1.0 3.0
   72    49    52    55   0.15000  1.0 3.0
   73    72    74    75   0.19450  1.0 3.0
   70    60    67    68   0.23400  1.0 3.0
   70    60    67    69   0.23400  1.0 3.0
   70    60    67    72   0.86500  1.0 1.0
   70    60    67    72  -0.17500 -1.0 2.0
   70    60    67    72   0.20800  1.0 3.0
   62    56    60    61   0.00000  1.0 1.0
   62    56    60    67   0.09850  1.0 1.0
   62    56    60    67   0.15250 -1.0 2.0
   62    56    60    67  -0.50650  1.0 3.0
   62    56    60    70   0.67800  1.0 1.0
   62    56    60    70   0.47050 -1.0 2.0
   62    56    60    70  -0.62500  1.0 3.0
   57    50    56    60   0.46850  1.0 1.0
   57    50    56    60   0.08550 -1.0 2.0
   57    50    56    60   0.09800  1.0 3.0
   57    50    56    62   0.09850  1.0 1.0
   57    50    56    62   0.15250 -1.0 2.0
   57    50    56    62  -0.50650  1.0 3.0
   58    57    65    39   0.15000  1.0 3.0
   58    57    65    44   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   59    57    65    39   0.15000  1.0 3.0
   59    57    65    44   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   65    39    41    42   0.30150 -1.0 2.0
   65    39   -41    43   0.36750  1.0 3.0
   65    44    46    47   0.15000  1.0 3.0
   65    44    46    48   0.15000  1.0 3.0
   65    44   -46    49   0.56750  1.0 1.0
   65    44   -46    49  -0.07550 -1.0 2.0
   65    44   -46    49   0.20000  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.34400  1.0 1.0
   52    49    50    56   0.09450 -1.0 2.0
   52    49    50    56   0.11100  1.0 3.0
   52    49    50    57   0.56750  1.0 1.0
   52    49    50    57  -0.07550 -1.0 2.0
   52    49    50    57   0.20000  1.0 3.0
   52    49    72    67   0.56750  1.0 1.0
   52    49    72    67  -0.07550 -1.0 2.0
   52    49    72    67   0.20000  1.0 3.0
   52    49    72    73   0.15000  1.0 3.0
   52    49    72    74   0.86500  1.0 1.0
   52    49    72    74  -0.17500 -1.0 2.0
   52    49    72    74   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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   50    60    56    62   1.10000 -1.0 2.0
   63    64    62    56   1.10000 -1.0 2.0
END
