* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    133    214     397
    1     0 S   NP   _N1_     1    28.27952    93.69624   -24.46314
    2     1 S   H    _HN1     2     1.02957    96.01345    -5.32763
    3     1 S   H    _H1_     3     1.02835    13.99307   137.51152
    4     1 S   H    _H2_     4     1.02776   104.37311  -116.03092
    5     1 S   CT   _CA1     5     1.50125   123.72426   114.11475
    6     5 S   HC   _HA1     6     1.09574   105.22464    65.08471
    7     5 S   CO3  _C1_     7     1.53788   112.35459   -55.12898
    8     7 S   O2Z  _O11     8     1.26366   114.99846   -44.21247
    9     7 S   O2Z  _O12     9     1.26233   114.92674   134.90668
   10     5 S   CT   _CB1    10     1.53092   107.42261  -176.99769
   11    10 S   HC   HB11    11     1.09827   109.34907   -50.48926
   12    10 S   HC   HB12    12     1.09817   110.41957    66.06773
   13    10 S   CT   _CG1    13     1.53017   112.66760  -171.55724
   14    13 S   HC   HG11    14     1.09595   110.49329   -64.02056
   15    13 S   HC   HG12    15     1.09655   109.92972    55.18894
   16    13 S   C    _CD1    16     1.51834   112.29853   175.57181
   17    16 S   O    _OE1    17     1.22748   123.28318     0.06853
   18    16 S   N    _N2_    18     1.38559   111.71238  -180.00000
   19    18 S   H    _HN2    19     1.01558   119.01957     4.74330
   20    18 S   CT1  _CA2    20     1.45856   122.88589   178.07126
   21    20 S   HC   _HA2    21     1.09719   108.98394    22.86259
   22    20 S   C    _C2_    22     1.52891   106.80321   -94.31754
   23    22 S   O    _O2_    23     1.22998   122.93880   -28.67226
   24    20 S   CT   _CB2    32     1.53301   112.28488   146.01971
   25    24 S   HC   HB21    33     1.09513   109.76802    55.30140
   26    24 S   HC   HB22    34     1.09421   109.74063   174.12794
   27    22 S   N    _N3_    24     1.38472   112.68593   154.15007
   28    27 S   H    _HN3    25     1.01667   120.41555    -2.16012
   29    24 S   S    _SG2    35     1.82817   110.83070   -65.03916
   30    27 S   CT   _CA3    26     1.45360   122.36898   178.57797
   31    30 S   HC   HA31    27     1.09572   107.67313   -58.02664
   32    30 S   HC   HA32    28     1.09567   107.71644    58.26552
   33    29 S   CT   _C16    36     1.86016   101.74955  -171.84871
   34    30 S   CO3  _C3_    29     1.52868   114.41838  -179.94405
   35    34 S   O2Z  _O31    30     1.26314   116.08572    -2.87712
   36    34 S   O2Z  _O32    31     1.26445   114.39405   177.16103
   37    33 S   CM   _C4_    37     1.51024   108.79219    68.44392
   38    37 S   HC   _H22    38     1.08336   122.96612   -87.15864
   39    33 S   CT   _C18    67     1.54148   110.47538   -55.19962
   40    39 S   HC   _H34    68     1.09538   111.31679    70.58821
   41    39 S   HC   _H35    69     1.09501   111.29046   -49.91082
   42    37 S   CMA  _C6_    39     1.34548   113.45704    97.58937
   43    42 S   OM   _O16    40     1.25515   133.49436   171.96408
   44    39 S   OH   _O20    70     1.42487   111.94973  -170.03289
   45    44 S   HO   _H37    71     0.97227   107.12083   179.41183
   46    42 S   CM   _C5_    41     1.48308   108.69483    -3.72310
   47    46 S   CM   _C7_    42     1.35746   129.62032  -146.95051
   48    33 S   CT   _C12    56     1.56241   111.93787   176.36444
   49    48 S   HC   _H27    57     1.10382   106.72676   168.85537
   50    47 S   CT   _C11    43     1.52216   125.01014   173.17082
   51    50 S   HC   _H25    44     1.09951   107.86216   169.13474
   52    50 S   HC   _H26    45     1.09817   107.27662   -78.34165
   53    47 S   CT   _C17    63     1.51713   123.52782     0.60877
   54    53 S   HC   _H31    64     1.09664   110.50370   139.63288
   55    53 S   HC   _H32    65     1.09171   113.88644    22.16386
   56    53 S   HC   _H33    66     1.09452   110.09987  -101.03470
   57    50 S   CT   _C15    46     1.53482   120.60951    47.65567
   58    57 S   HC   _H30    47     1.09701   106.34173  -174.50085
   59    57 S   CT   _C13    48     1.52879   116.95958   -51.37030
   60    59 S   HC   _H28    49     1.10029   109.35983   104.31110
   61    57 S   OH   _O19    61     1.43203   109.54176    71.74197
   62    61 S   HO   _H36    62     0.97220   107.92381    53.14150
   63    59 S   CM   _C8_    50     1.49461   117.09778  -136.08317
   64    63 S   CO4  _C9_    51     1.47812   108.10196   148.50158
   65    64 S   O    _O17    52     1.21735   127.15636   169.11591
   66    63 S   CM   _C10    58     1.33589   130.33578   -31.52132
   67    66 S   HC   _H23    59     1.08468   121.16018    -0.71382
   68    66 S   HC   _H24    60     1.08528   121.64455   179.94065
   69    64 S   OS   _O18    53     1.36293   106.92161    -9.35843
   70    59 S   CT   _C14    54     1.52339   114.50420   -19.65382
   71    70 S   HC   _H29    55     1.09621   112.43872   -40.70587
  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  12   5   9   4   3   8   3   2   1  15  14  11
   4  14   6   5   4   2   1   1  11   6  12   7   3   1   8   7
   3   4   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    70    48    49    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    47    59    69    70    71    48    49    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    70    48    49    39    40    41    44  
   42    43    46    48    39  
   40    41    44    45    42    46    48    49    70  
   41    44    45    48  
   44    45    48  
   43    46    47    50    70    48    49    53  
   46    47    48  
   45    48  
    0  
   47    50    51    52    57    59    69    70    71    48    49    53    54    55    56  
   50    51    52    57    58    59    70    48    49    61    53    54    55    56  
   49    53    50    57    59    60    63    64    69    70    71  
   59    69    70    71  
   51    52    57    58    59    60    63    70    61    62    53    54    55    56  
   52    57    58    59    61    53  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    63    64    69    70    71    66    61    62  
   59    60    63    70    61    62  
   60    63    64    65    69    70    71    66    67    68    61    62  
   63    64    69    70    71    66    61  
   62    63    70  
    0  
   64    65    69    70    71    66    67    68  
   65    69    70    71    66    67    68  
   69    70    66  
   67    68    69    70  
   68  
    0  
   70    71  
   71  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
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    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    46   465.000  1.376
   46    47   549.000  1.340
   46    48   317.000  1.510
   47    50   317.000  1.510
   47    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    63   317.000  1.510
   59    70   268.000  1.529
   63    64   320.000  1.462
   63    66   549.000  1.340
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    48   268.000  1.529
   48    49   340.000  1.090
   66    67   340.000  1.080
   66    68   340.000  1.080
   61    62   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    70    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    46    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    46    47    70.00000  117.34000
   42    46    48    70.00000  124.00000
   46    42    43    65.00000  137.10300
   46    47    50    70.00000  124.00000
   46    47    53    70.00000  124.00000
   46    48    70    70.00000  112.02700
   46    48    49    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    70.00000  112.02700
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    58.35000  112.70000
   50    57    61    50.00000  109.50000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    63    70.00000  112.02700
   57    59    70    58.35000  112.70000
   57    61    62    55.00000  108.50000
   59    57    58    37.50000  110.70000
   59    63    64    65.00000  116.34900
   59    63    66    70.00000  124.00000
   59    70    69    50.00000  109.50000
   59    70    71    37.50000  110.70000
   59    70    48    58.35000  112.70000
   63    59    60    35.00000  109.50000
   63    64    65    80.00000  123.72100
   63    64    69    90.00000  111.29400
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   64    69    70    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    70    71    35.00000  109.50000
   69    70    48    50.00000  109.50000
   70    59    60    37.50000  110.70000
   70    59    63    70.00000  112.02700
   70    48    49    37.50000  110.70000
   48    33    37    70.00000  112.02700
   48    46    47    70.00000  124.00000
   48    70    71    37.50000  110.70000
   66    63    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   53    47    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
   29    33    48    70   0.44750  1.0 1.0
   29    33    48    70  -0.17800 -1.0 2.0
   29    33    48    70   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    46   7.00000 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -48    46   0.31000  1.0 1.0
   37    33   -48    46   0.14700 -1.0 2.0
   37    33   -48    46   0.07550  1.0 3.0
   37    33    48    70   0.34400  1.0 1.0
   37    33    48    70   0.09450 -1.0 2.0
   37    33    48    70   0.11100  1.0 3.0
   37    33    48    49   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   1.05650  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44   0.53150  1.0 3.0
   37    42    46    47   7.00000 -1.0 2.0
   37    42   -46    48   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    47    50   7.00000 -1.0 2.0
   42    46    47    53   7.00000 -1.0 2.0
   42    46   -48    33   0.09850  1.0 1.0
   42    46   -48    33   0.15250 -1.0 2.0
   42    46   -48    33  -0.50650  1.0 3.0
   42    46    48    70   0.09850  1.0 1.0
   42    46    48    70   0.15250 -1.0 2.0
   42    46    48    70  -0.50650  1.0 3.0
   42    46    48    49   0.00000  1.0 1.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    48   7.00000 -1.0 2.0
   46    47    50    51   0.00000  1.0 1.0
   46    47    50    52   0.00000  1.0 1.0
   46    47    50    57   0.09850  1.0 1.0
   46    47    50    57   0.15250 -1.0 2.0
   46    47    50    57  -0.50650  1.0 3.0
   46    47    53    54   0.00000  1.0 1.0
   46    47    53    55   0.00000  1.0 1.0
   46    47    53    56   0.00000  1.0 1.0
   47    46    48    33   0.09850  1.0 1.0
   47    46    48    33   0.15250 -1.0 2.0
   47    46    48    33  -0.50650  1.0 3.0
   47    46    48    70   0.09850  1.0 1.0
   47    46    48    70   0.15250 -1.0 2.0
   47    46    48    70  -0.50650  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.34400  1.0 1.0
   47    50    57    59   0.09450 -1.0 2.0
   47    50    57    59   0.11100  1.0 3.0
   47    50    57    61   1.05650  1.0 1.0
   47    50    57    61   0.15600 -1.0 2.0
   47    50    57    61   0.53150  1.0 3.0
   50    47    53    54   0.34800  1.0 3.0
   50    47    53    55   0.34800  1.0 3.0
   50    47    53    56   0.34800  1.0 3.0
   50    57    59    60   0.15000  1.0 3.0
   50    57    59    63   0.34400  1.0 1.0
   50    57    59    63   0.09450 -1.0 2.0
   50    57    59    63   0.11100  1.0 3.0
   50    57    59    70   0.56750  1.0 1.0
   50    57    59    70  -0.07550 -1.0 2.0
   50    57    59    70   0.20000  1.0 3.0
   50    57    61    62  -0.11600  1.0 1.0
   50    57    61    62  -0.09450 -1.0 2.0
   50    57    61    62   0.21250  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    61   0.23400  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    61   0.23400  1.0 3.0
   57    59    63    64   0.09700  1.0 1.0
   57    59    63    64   0.15600 -1.0 2.0
   57    59    63    64  -0.50800  1.0 3.0
   57    59    63    66   0.09850  1.0 1.0
   57    59    63    66   0.15250 -1.0 2.0
   57    59    63    66  -0.50650  1.0 3.0
   57    59    70    69   0.62750  1.0 1.0
   57    59    70    69  -0.30950 -1.0 2.0
   57    59    70    69   0.27300  1.0 3.0
   57    59    70    71   0.15000  1.0 3.0
   57    59    70    48   0.56750  1.0 1.0
   57    59    70    48  -0.07550 -1.0 2.0
   57    59    70    48   0.20000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    59    70   0.15000  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   59    57    61    62  -0.11600  1.0 1.0
   59    57    61    62  -0.09450 -1.0 2.0
   59    57    61    62   0.21250  1.0 3.0
   59    63    64    65  -0.64400  1.0 1.0
   59    63    64    65   0.26850 -1.0 2.0
   59    63   -64    69  -0.15000  1.0 1.0
   59    63   -64    69   0.89550 -1.0 2.0
   59    63   -64    69  -0.06900  1.0 3.0
   59    63    66    67   7.00000 -1.0 2.0
   59    63    66    68   7.00000 -1.0 2.0
   59    70    48    33   0.56750  1.0 1.0
   59    70    48    33  -0.07550 -1.0 2.0
   59    70    48    33   0.20000  1.0 3.0
   59    70    48    46   0.34400  1.0 1.0
   59    70    48    46   0.09450 -1.0 2.0
   59    70    48    46   0.11100  1.0 3.0
   59    70    48    49   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    66   0.00000  1.0 1.0
   60    59    70    69   0.23400  1.0 3.0
   60    59    70    71   0.15000  1.0 3.0
   60    59    70    48   0.15000  1.0 3.0
   63    59   -70    69   0.61850  1.0 1.0
   63    59   -70    69  -0.22750 -1.0 2.0
   63    59   -70    69   0.15300  1.0 3.0
   63    59    70    71   0.15000  1.0 3.0
   63    59    70    48   0.34400  1.0 1.0
   63    59    70    48   0.09450 -1.0 2.0
   63    59    70    48   0.11100  1.0 3.0
   63    64   -69    70   2.00000 -1.0 2.0
   64    63    66    67   7.00000 -1.0 2.0
   64    63    66    68   7.00000 -1.0 2.0
   64    69   -70    59  -0.25900  1.0 1.0
   64    69   -70    59  -0.47000 -1.0 2.0
   64    69   -70    59   0.11750  1.0 3.0
   64    69    70    71   0.08050  1.0 3.0
   64    69    70    48  -0.25900  1.0 1.0
   64    69    70    48  -0.47000 -1.0 2.0
   64    69    70    48   0.11750  1.0 3.0
   65    64    69    70   3.00000 -1.0 2.0
   69    70    48    33   0.62750  1.0 1.0
   69    70    48    33  -0.30950 -1.0 2.0
   69    70    48    33   0.27300  1.0 3.0
   69    70    48    46   0.61850  1.0 1.0
   69    70    48    46  -0.22750 -1.0 2.0
   69    70    48    46   0.15300  1.0 3.0
   69    70    48    49   0.23400  1.0 3.0
   70    59   -63    64   0.09700  1.0 1.0
   70    59   -63    64   0.15600 -1.0 2.0
   70    59   -63    64  -0.50800  1.0 3.0
   70    59    63    66   0.09850  1.0 1.0
   70    59    63    66   0.15250 -1.0 2.0
   70    59    63    66  -0.50650  1.0 3.0
   71    70    48    33   0.15000  1.0 3.0
   71    70    48    46   0.15000  1.0 3.0
   71    70    48    49   0.15000  1.0 3.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42   0.09850  1.0 1.0
   48    33   -37    42   0.15250 -1.0 2.0
   48    33   -37    42  -0.50650  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    33    39    44   0.86500  1.0 1.0
   48    33    39    44  -0.17500 -1.0 2.0
   48    33    39    44   0.20800  1.0 3.0
   48    46    47    50   7.00000 -1.0 2.0
   48    46    47    53   7.00000 -1.0 2.0
   66    63    64    65   1.00000 -1.0 2.0
   66    63    64    69  -0.56150  1.0 1.0
   66    63    64    69   2.19150 -1.0 2.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    63   1.05650  1.0 1.0
   61    57    59    63   0.15600 -1.0 2.0
   61    57    59    63   0.53150  1.0 3.0
   61    57    59    70   0.86500  1.0 1.0
   61    57    59    70  -0.17500 -1.0 2.0
   61    57    59    70   0.20800  1.0 3.0
   53    47    50    51   0.34800  1.0 3.0
   53    47    50    52   0.34800  1.0 3.0
   53    47    50    57   0.46850  1.0 1.0
   53    47    50    57   0.08550 -1.0 2.0
   53    47    50    57   0.09800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.34400  1.0 1.0
   39    33    48    46   0.09450 -1.0 2.0
   39    33    48    46   0.11100  1.0 3.0
   39    33    48    70   0.56750  1.0 1.0
   39    33    48    70  -0.07550 -1.0 2.0
   39    33    48    70   0.20000  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    48    46    47   1.10000 -1.0 2.0
   50    53    47    46   1.10000 -1.0 2.0
   59    64    63    66   1.10000 -1.0 2.0
   63    69    64    65  10.50000 -1.0 2.0
   67    68    66    63   1.10000 -1.0 2.0
END
