* LIGAND DATABASE FILE (OPLS2005)
*
001      74    78    152    248     437
    1     0 S   NP   _N1_     1    29.09413    92.93986   -22.43864
    2     1 S   H    _HN1     2     1.02966    93.75038    28.86577
    3     1 S   H    _H1_     3     1.02827    19.56103   162.66378
    4     1 S   H    _H2_     4     1.02773    99.71467   -80.46612
    5     1 S   CT   _CA1     5     1.50150   129.89795   149.42627
    6     5 S   HC   _HA1     6     1.09580   105.19810    63.85154
    7     5 S   CO3  _C1_     7     1.53781   112.43203   -56.20417
    8     7 S   O2Z  _O11     8     1.26353   115.01556   -41.81994
    9     7 S   O2Z  _O12     9     1.26253   114.91667   137.24475
   10     5 S   CT   _CB1    10     1.53075   107.36191  -178.34720
   11    10 S   HC   HB11    11     1.09821   109.18088   -51.36512
   12    10 S   HC   HB12    12     1.09822   110.42188    65.09900
   13    10 S   CT   _CG1    13     1.53012   112.79805  -172.58495
   14    13 S   HC   HG11    14     1.09596   110.30605   -64.85229
   15    13 S   HC   HG12    15     1.09642   110.12548    54.40264
   16    13 S   C    _CD1    16     1.51790   112.24834   174.54002
   17    16 S   O    _OE1    17     1.22743   123.23005    -7.60628
   18    16 S   N    _N2_    18     1.38683   111.75121   173.06268
   19    18 S   H    _HN2    19     1.01581   119.12628     1.40402
   20    18 S   CT1  _CA2    20     1.46057   123.18070  -179.04838
   21    20 S   HC   _HA2    21     1.09578   109.23606    -6.83919
   22    20 S   C    _C2_    22     1.53458   108.99445  -122.05999
   23    22 S   O    _O2_    23     1.23044   122.02893  -148.55261
   24    20 S   CT   _CB2    32     1.53456   111.79833   115.34819
   25    24 S   HC   HB21    33     1.09659   109.54569    64.56407
   26    24 S   HC   HB22    34     1.09577   110.79689  -178.22524
   27    22 S   N    _N3_    24     1.38449   113.58079    38.99838
   28    27 S   H    _HN3    25     1.01510   118.93444    -0.79352
   29    24 S   S    _SG2    35     1.82867   114.91997   -55.14560
   30    27 S   CT   _CA3    26     1.45447   123.47784   174.89159
   31    30 S   HC   HA31    27     1.09522   109.26679    24.00954
   32    30 S   HC   HA32    28     1.09496   107.12250   141.03052
   33    29 S   CT   _C18    36     1.82613   100.02217   -66.65466
   34    33 S   HC   _H3_    37     1.09359   107.29574   -59.80708
   35    33 S   HC   _H4_    38     1.09336   109.39178    57.65214
   36    30 S   CO3  _C3_    29     1.52925   113.06661   -99.47676
   37    36 S   O2Z  _O31    30     1.26408   115.39474   -44.68833
   38    36 S   O2Z  _O32    31     1.26352   114.98960   136.22026
   39    33 S   CT   _C7_    39     1.53008   110.85259   179.09388
   40    39 S   HC   _H26    40     1.09746   112.21142    42.36118
   41    39 S   CO4  _C4_    41     1.50988   112.77627   -80.17525
   42    41 S   O    _O16    42     1.22042   126.78735    42.06127
   43    41 S   OS   _O17    43     1.36510   109.34400  -138.93177
   44    43 S   CT   _C10    44     1.44382   110.73484    -5.22285
   45    44 S   HC   _H29    45     1.09441   106.85443   -90.85402
   46    39 S   CT   _C8_    46     1.53491   112.23879   166.99610
   47    46 S   HC   _H27    47     1.10016   108.35962    39.20595
   48    44 S   CT   _C9_    56     1.52892   109.08475   148.36576
   49    48 S   HC   _H28    57     1.10011   107.15420   -59.21538
   50    46 S   CT   _C5_    48     1.52127   112.61952   -81.67116
   51    50 S   HC   _H22    49     1.09694   108.79912    55.86940
   52    50 S   HC   _H23    50     1.09586   110.76204   -59.65830
   53    48 S   C3T  _C14    58     1.55049   114.72149    57.69481
   54    50 S   CT   _C6_    51     1.52353   113.45037   175.04781
   55    54 S   HC   _H24    52     1.09935   106.92906  -167.40034
   56    54 S   HC   _H25    53     1.09857   109.66528   -54.43820
   57    53 S   C3T  _C12    59     1.52088   109.78726   140.52733
   58    57 S   HC   _H31    60     1.08079   119.37861  -146.93437
   59    53 S   CT   _C16    65     1.48732   124.02472   -12.22108
   60    59 S   HC   _H32    66     1.09592   111.39181   173.55652
   61    59 S   HC   _H33    67     1.09403   111.12024    54.18290
   62    59 S   HC   _H34    68     1.09395   110.90705   -67.37954
   63    54 S   CT   _C15    54     1.53524   116.76456    70.80376
   64    67 S   C3T  _C11    61     1.53378   118.25000  -162.13296
   65    64 S   HC   _H30    62     1.08077   120.08041    -2.93825
   66    53 S   O3T  _O19    64     1.43869   113.24034  -157.03854
   67    63 S   C3T  _C13    55     1.51554   113.23448   -77.16311
   68    67 S   O3T  _O18    63     1.44185   115.32852   -97.14096
   69    63 S   CT   _C17    69     1.53445   113.27074    51.08333
   70    69 S   HC   _H35    70     1.09640   110.80783   168.61166
   71    69 S   HC   _H36    71     1.09631   110.76443    51.11787
   72    69 S   HC   _H37    72     1.09083   113.36295   -70.67232
   73    63 S   OH   _O20    73     1.44683   104.92907   165.31563
   74    73 S   HO   _H40    74     0.97239   108.34480   -63.24700
  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  17   7  12   5  18
   8   9   5   4  12  12   5   4  11   6   6   3   2   1  10   6
   3   2   7   2   5   3   2   1   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    52    54    48  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    67    48    49    53  
   45    46    47    50    51    52    54    63    67    48    49    53    57    64    68    66    59  
   46    47    50    67    48    49    53  
   47    50    51    52    54    55    56    63    67    48    49    53  
   50    51    52    54    48  
   49    53    57    58    64    65    68    66    59    60    61    62    69    73    50    54    63    67  
   53    57    64    68    66    59    63    67  
   51    52    54    55    56    63    67    69    73  
   52    54    55    56    63  
   54    55    56    63  
   57    58    64    65    68    66    59    60    61    62    63    67  
   55    56    63    67    64    68    69    70    71    72    73    74  
   56    63    67    69    73  
   63    67    69    73  
   58    64    65    68    66    59    60    61    62    63    67  
   64    65    68    66    59    67  
   60    61    62    64    66    67  
   61    62    66  
   62    66  
   66  
   67    64    65    68    69    70    71    72    73    74  
   65    68    66    69    73    67  
   68    66    67  
   67    68  
   68    69    70    71    72    73    74  
   69    73  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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    46   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    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    67   275.000  1.510
   63    69   268.000  1.529
   63    73   320.000  1.410
   67    48   275.000  1.510
   67    64   260.000  1.509
   67    68   335.000  1.432
   48    49   340.000  1.090
   48    53   275.000  1.510
   53    57   260.000  1.509
   53    66   335.000  1.432
   53    59   275.000  1.510
   57    58   340.000  1.088
   57    64   260.000  1.509
   57    66   335.000  1.432
   64    65   340.000  1.088
   64    68   335.000  1.432
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   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    63.00000  111.10000
   33    39    46    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    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   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    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    67    70.00000  112.37300
   44    48    49    37.50000  110.70000
   44    48    53    70.00000  112.37300
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    63    67    70.00000  112.37300
   54    63    69    58.35000  112.70000
   54    63    73    50.00000  109.50000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    48    58.35000  112.70000
   63    67    64    60.00000  120.94000
   63    67    68    80.00000  116.47100
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    37.50000  110.70000
   63    73    74    55.00000  108.50000
   67    48    49    45.00000  109.38400
   67    48    53    70.00000  112.37300
   67    64    57    60.00000  120.94000
   67    64    65    37.50000  117.20000
   67    64    68    15.00000   60.43100
   67    68    64    15.00000   59.14900
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    53    57    60.00000  120.94000
   48    53    66    80.00000  116.47100
   48    53    59    58.35000  112.70000
   53    48    49    45.00000  109.38400
   53    57    58    37.50000  117.20000
   53    57    64    60.00000  120.94000
   53    57    66    15.00000   60.43100
   53    66    57    15.00000   59.14900
   53    59    60    45.00000  109.38400
   53    59    61    45.00000  109.38400
   53    59    62    45.00000  109.38400
   57    64    65    37.50000  117.20000
   57    64    68    80.00000  116.47100
   64    67    48    60.00000  120.94000
   64    57    58    37.50000  117.20000
   68    67    48    80.00000  116.47100
   68    67    64    15.00000   60.43100
   68    64    65    50.00000  114.27700
   66    53    57    15.00000   60.43100
   66    57    58    50.00000  114.27700
   66    57    64    80.00000  116.47100
   59    53    57    60.00000  120.94000
   59    53    66    80.00000  116.47100
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   69    63    67    70.00000  112.37300
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    63    67    50.00000  109.50000
   73    63    69    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   0.56750  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    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   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    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  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    46   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    46   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
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    52   0.15000  1.0 3.0
   39    46    50    54   0.56750  1.0 1.0
   39    46    50    54  -0.07550 -1.0 2.0
   39    46    50    54   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  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    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    67  -0.26800  1.0 1.0
   43    44    48    67   0.69150 -1.0 2.0
   43    44    48    67  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    53  -0.26800  1.0 1.0
   43    44    48    53   0.69150 -1.0 2.0
   43    44    48    53  -0.48750  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    48    53    57   0.07850  1.0 1.0
   44    48    53    57  -0.03950 -1.0 2.0
   44    48    53    57   0.67350  1.0 3.0
   44    48    53    66   0.02550  1.0 1.0
   44    48    53    66  -0.02600 -1.0 2.0
   44    48    53    66   1.20400  1.0 3.0
   44    48    53    59   0.56750  1.0 1.0
   44    48    53    59  -0.07550 -1.0 2.0
   44    48    53    59   0.20000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    67   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    67   0.47050  1.0 1.0
   46    44    48    67   0.03900 -1.0 2.0
   46    44    48    67   0.20100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    53   0.47050  1.0 1.0
   46    44    48    53   0.03900 -1.0 2.0
   46    44    48    53   0.20100  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    63   0.56750  1.0 1.0
   46    50    54    63  -0.07550 -1.0 2.0
   46    50    54    63   0.20000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   50    54    63    67   0.47050  1.0 1.0
   50    54    63    67   0.03900 -1.0 2.0
   50    54    63    67   0.20100  1.0 3.0
   50    54    63    69   0.56750  1.0 1.0
   50    54    63    69  -0.07550 -1.0 2.0
   50    54    63    69   0.20000  1.0 3.0
   50    54    63    73   0.86500  1.0 1.0
   50    54    63    73  -0.17500 -1.0 2.0
   50    54    63    73   0.20800  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    63   0.15000  1.0 3.0
   54    63    67    48   0.56750  1.0 1.0
   54    63    67    48  -0.07550 -1.0 2.0
   54    63    67    48   0.20000  1.0 3.0
   54    63    67    64   0.07850  1.0 1.0
   54    63    67    64  -0.03950 -1.0 2.0
   54    63    67    64   0.67350  1.0 3.0
   54    63    67    68   0.02550  1.0 1.0
   54    63    67    68  -0.02600 -1.0 2.0
   54    63    67    68   1.20400  1.0 3.0
   54    63    69    70   0.15000  1.0 3.0
   54    63    69    71   0.15000  1.0 3.0
   54    63    69    72   0.15000  1.0 3.0
   54    63    73    74  -0.11600  1.0 1.0
   54    63    73    74  -0.09450 -1.0 2.0
   54    63    73    74   0.21250  1.0 3.0
   55    54    63    67   0.15000  1.0 3.0
   55    54    63    69   0.15000  1.0 3.0
   55    54    63    73   0.23400  1.0 3.0
   56    54    63    67   0.15000  1.0 3.0
   56    54    63    69   0.15000  1.0 3.0
   56    54    63    73   0.23400  1.0 3.0
   63    67    48    44   0.56750  1.0 1.0
   63    67    48    44  -0.07550 -1.0 2.0
   63    67    48    44   0.20000  1.0 3.0
   63    67    48    49   0.15000  1.0 3.0
   63    67    48    53   0.47050  1.0 1.0
   63    67    48    53   0.03900 -1.0 2.0
   63    67    48    53   0.20100  1.0 3.0
   63    67    64    57   0.07850  1.0 1.0
   63    67    64    57  -0.03950 -1.0 2.0
   63    67    64    57   0.67350  1.0 3.0
   63    67    64    65   0.15000  1.0 3.0
   63    67   -64    68   0.02550  1.0 1.0
   63    67   -64    68  -0.02600 -1.0 2.0
   63    67   -64    68   1.20400  1.0 3.0
   63    67   -68    64   0.06250  1.0 1.0
   63    67   -68    64  -0.01100 -1.0 2.0
   63    67   -68    64   0.28050  1.0 3.0
   67    63    69    70   0.15000  1.0 3.0
   67    63    69    71   0.15000  1.0 3.0
   67    63    69    72   0.15000  1.0 3.0
   67    63    73    74  -0.11600  1.0 1.0
   67    63    73    74  -0.09450 -1.0 2.0
   67    63    73    74   0.21250  1.0 3.0
   67    48   -53    57   0.07850  1.0 1.0
   67    48   -53    57  -0.03950 -1.0 2.0
   67    48   -53    57   0.67350  1.0 3.0
   67    48    53    66   0.02550  1.0 1.0
   67    48    53    66  -0.02600 -1.0 2.0
   67    48    53    66   1.20400  1.0 3.0
   67    48    53    59   0.47050  1.0 1.0
   67    48    53    59   0.03900 -1.0 2.0
   67    48    53    59   0.20100  1.0 3.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    67   -64    57   0.07850  1.0 1.0
   48    67   -64    57  -0.03950 -1.0 2.0
   48    67   -64    57   0.67350  1.0 3.0
   48    67    64    65   0.15000  1.0 3.0
   48    67   -64    68   0.02550  1.0 1.0
   48    67   -64    68  -0.02600 -1.0 2.0
   48    67   -64    68   1.20400  1.0 3.0
   48    67   -68    64   0.06250  1.0 1.0
   48    67   -68    64  -0.01100 -1.0 2.0
   48    67   -68    64   0.28050  1.0 3.0
   48    53    57    58   0.15000  1.0 3.0
   48    53   -57    64   0.07850  1.0 1.0
   48    53   -57    64  -0.03950 -1.0 2.0
   48    53   -57    64   0.67350  1.0 3.0
   48    53   -57    66   0.02550  1.0 1.0
   48    53   -57    66  -0.02600 -1.0 2.0
   48    53   -57    66   1.20400  1.0 3.0
   48    53   -66    57   0.06250  1.0 1.0
   48    53   -66    57  -0.01100 -1.0 2.0
   48    53   -66    57   0.28050  1.0 3.0
   48    53    59    60   0.15000  1.0 3.0
   48    53    59    61   0.15000  1.0 3.0
   48    53    59    62   0.15000  1.0 3.0
   49    48    53    57   0.15000  1.0 3.0
   49    48    53    66   0.23400  1.0 3.0
   49    48    53    59   0.15000  1.0 3.0
   53    57   -64    67   0.07850  1.0 1.0
   53    57   -64    67  -0.03950 -1.0 2.0
   53    57   -64    67   0.67350  1.0 3.0
   53    57    64    65   0.15000  1.0 3.0
   53    57    64    68   0.02550  1.0 1.0
   53    57    64    68  -0.02600 -1.0 2.0
   53    57    64    68   1.20400  1.0 3.0
   57    53    59    60   0.15000  1.0 3.0
   57    53    59    61   0.15000  1.0 3.0
   57    53    59    62   0.15000  1.0 3.0
   57    64   -68    67   0.06250  1.0 1.0
   57    64   -68    67  -0.01100 -1.0 2.0
   57    64   -68    67   0.28050  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    68   0.23400  1.0 3.0
   58    57   -66    53   0.36800  1.0 3.0
   64    67    48    44   0.07850  1.0 1.0
   64    67    48    44  -0.03950 -1.0 2.0
   64    67    48    44   0.67350  1.0 3.0
   64    67    48    49   0.15000  1.0 3.0
   64    67   -48    53   0.07850  1.0 1.0
   64    67   -48    53  -0.03950 -1.0 2.0
   64    67   -48    53   0.67350  1.0 3.0
   64    57   -66    53   0.06250  1.0 1.0
   64    57   -66    53  -0.01100 -1.0 2.0
   64    57   -66    53   0.28050  1.0 3.0
   65    64   -68    67   0.36800  1.0 3.0
   68    67    48    44   0.02550  1.0 1.0
   68    67    48    44  -0.02600 -1.0 2.0
   68    67    48    44   1.20400  1.0 3.0
   68    67    48    49   0.23400  1.0 3.0
   68    67   -48    53   0.02550  1.0 1.0
   68    67   -48    53  -0.02600 -1.0 2.0
   68    67   -48    53   1.20400  1.0 3.0
   68    67   -64    57   0.02550  1.0 1.0
   68    67   -64    57  -0.02600 -1.0 2.0
   68    67   -64    57   1.20400  1.0 3.0
   68    67   -64    65   0.23400  1.0 3.0
   66    53   -57    58   0.23400  1.0 3.0
   66    53   -57    64   0.02550  1.0 1.0
   66    53   -57    64  -0.02600 -1.0 2.0
   66    53   -57    64   1.20400  1.0 3.0
   66    53    59    60   0.23400  1.0 3.0
   66    53    59    61   0.23400  1.0 3.0
   66    53    59    62   0.23400  1.0 3.0
   66    57   -64    67   0.02550  1.0 1.0
   66    57   -64    67  -0.02600 -1.0 2.0
   66    57   -64    67   1.20400  1.0 3.0
   66    57    64    65   0.23400  1.0 3.0
   66    57    64    68   1.11900  1.0 1.0
   66    57    64    68  -1.16350 -1.0 2.0
   66    57    64    68  -0.34150  1.0 3.0
   59    53    57    58   0.15000  1.0 3.0
   59    53    57    64   0.07850  1.0 1.0
   59    53    57    64  -0.03950 -1.0 2.0
   59    53    57    64   0.67350  1.0 3.0
   59    53   -57    66   0.02550  1.0 1.0
   59    53   -57    66  -0.02600 -1.0 2.0
   59    53   -57    66   1.20400  1.0 3.0
   59    53   -66    57   0.06250  1.0 1.0
   59    53   -66    57  -0.01100 -1.0 2.0
   59    53   -66    57   0.28050  1.0 3.0
   69    63    67    48   0.56750  1.0 1.0
   69    63    67    48  -0.07550 -1.0 2.0
   69    63    67    48   0.20000  1.0 3.0
   69    63    67    64   0.07850  1.0 1.0
   69    63    67    64  -0.03950 -1.0 2.0
   69    63    67    64   0.67350  1.0 3.0
   69    63    67    68   0.02550  1.0 1.0
   69    63    67    68  -0.02600 -1.0 2.0
   69    63    67    68   1.20400  1.0 3.0
   69    63    73    74  -0.11600  1.0 1.0
   69    63    73    74  -0.09450 -1.0 2.0
   69    63    73    74   0.21250  1.0 3.0
   73    63    67    48   0.86500  1.0 1.0
   73    63    67    48  -0.17500 -1.0 2.0
   73    63    67    48   0.20800  1.0 3.0
   73    63    67    64   0.86500  1.0 1.0
   73    63    67    64  -0.17500 -1.0 2.0
   73    63    67    64   0.20800  1.0 3.0
   73    63    67    68   3.69350  1.0 1.0
   73    63    67    68  -1.82950 -1.0 2.0
   73    63    69    70   0.23400  1.0 3.0
   73    63    69    71   0.23400  1.0 3.0
   73    63    69    72   0.23400  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
