* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    140    223     407
    1     0 S   NP   _N1_     1    29.42920    90.47921   -21.63601
    2     1 S   H    _HN1     2     1.03175   101.24471   -70.00376
    3     1 S   H    _H1_     3     1.02990   110.70263    42.96871
    4     1 S   H    _H2_     4     1.02735     6.63909   102.24114
    5     1 S   CT   _CA1     5     1.50221   114.29633   168.45614
    6     5 S   HC   _HA1     6     1.09570   105.33493    49.81069
    7     5 S   CO3  _C1_     7     1.53700   112.53862   -70.45227
    8     7 S   O2Z  _O11     8     1.26352   115.15668   -43.27416
    9     7 S   O2Z  _O12     9     1.26290   114.90865   136.04868
   10     5 S   CT   _CB1    10     1.52865   107.07884   167.35210
   11    10 S   HC   HB11    11     1.09695   108.36987   -55.08909
   12    10 S   HC   HB12    12     1.09798   110.20504    61.22902
   13    10 S   CT   _CG1    13     1.52974   114.16131  -176.24568
   14    13 S   HC   HG11    14     1.09527   110.18217   -63.52576
   15    13 S   HC   HG12    15     1.09569   110.63408    55.87735
   16    13 S   C    _CD1    16     1.51944   110.65037   175.10519
   17    16 S   O    _OE1    17     1.22830   122.55235   -33.78370
   18    16 S   N    _N2_    18     1.38459   112.78882   147.53216
   19    18 S   H    _HN2    19     1.01533   119.41551     3.48830
   20    18 S   CT1  _CA2    20     1.46205   122.93667  -176.44092
   21    20 S   HC   _HA2    21     1.09595   109.34256    -1.08028
   22    20 S   C    _C2_    22     1.53419   108.86357  -116.66649
   23    22 S   O    _O2_    23     1.23051   122.11854  -145.12001
   24    20 S   CT   _CB2    32     1.53436   111.56501   120.80818
   25    24 S   HC   HB21    33     1.09662   109.49828    64.20157
   26    24 S   HC   HB22    34     1.09565   111.02877  -178.44833
   27    22 S   N    _N3_    24     1.38482   113.61085    42.16203
   28    27 S   H    _HN3    25     1.01511   118.98442    -0.10279
   29    24 S   S    _SG2    35     1.82746   114.31937   -55.05108
   30    27 S   CT   _CA3    26     1.45434   123.31476   175.68938
   31    30 S   HC   HA31    27     1.09532   109.17229    26.68883
   32    30 S   HC   HA32    28     1.09499   107.16501   143.60174
   33    29 S   CT   _C6_    36     1.83627   100.15664   -73.71441
   34    33 S   HC   _H7_    37     1.09664   108.02053    53.83942
   35    33 S   HC   _H8_    38     1.09859   106.40740   -60.85632
   36    30 S   CO3  _C3_    29     1.52887   113.02763   -96.76372
   37    36 S   O2Z  _O31    30     1.26403   115.30395   -49.54668
   38    36 S   O2Z  _O32    31     1.26342   115.06811   131.39125
   39    33 S   CT   _C5_    39     1.56286   114.29632   176.95946
   40    39 S   OM   _O36    40     1.32612   106.64769   174.92399
   41    39 S   CT   _C7_    41     1.56238   111.32926   -65.19378
   42    41 S   HC   _H3_    42     1.10146   107.88674    59.03072
   43    39 S   CT   _C4_    72     1.54486   111.41666    58.37738
   44    43 S   HC   _H4_    73     1.09822   111.73163    49.83311
   45    43 S   HC   _H5_    74     1.09587   111.49506   -70.34059
   46    43 S   HC   _H6_    75     1.09837   112.40139   170.03899
   47    41 S   CT   _C8_    43     1.54129   117.07023   179.47474
   48    47 S   HC   _H9_    44     1.09358   112.26314    38.07683
   49    47 S   HC   _H10    45     1.09285   110.36202   -85.83147
   50    41 S   OS   _O35    54     1.45220   111.92183   -56.55553
   51    47 S   CA   _C9_    46     1.49108    99.68075   154.40676
   52    51 S   CA   _C14    47     1.39441   132.20516   161.61606
   53    52 S   CA   _C13    48     1.43502   116.31891  -176.00468
   54    52 S   NE   _N4_    67     1.41094   124.14829     1.32869
   55    53 S   CA   _C12    49     1.44484   124.05738    -4.06963
   56    55 S   OM   _O34    50     1.27971   125.51909   178.85910
   57    53 S   CO4  _C21    55     1.50747   116.22540   175.39347
   58    57 S   O    _O33    56     1.22514   123.00928   164.50027
   59    54 S   CT   _C22    68     1.46302   119.92532    26.47960
   60    59 S   HC   _H16    69     1.09459   110.94383   -92.76965
   61    59 S   HC   _H17    70     1.09705   111.99113   146.26137
   62    59 S   HC   _H18    71     1.09449   111.89866    30.21182
   63    55 S   CA   _C11    51     1.40869   114.82466     0.45370
   64    63 S   HA   _H11    52     1.08982   120.23188  -179.86152
   65    57 S   CA   _C20    57     1.47753   118.94511   -15.61829
   66    51 S   CA   _C10    53     1.38604   107.28334   -18.03080
   67    65 S   CA   _C19    58     1.40240   119.59499  -164.04027
   68    67 S   HA   _H15    59     1.08684   121.07477     0.90806
   69    67 S   CA   _C18    60     1.39123   119.88197  -179.42836
   70    69 S   HA   _H14    61     1.08596   120.15080  -179.71196
   71    69 S   CA   _C17    62     1.39024   119.66035    -0.02798
   72    71 S   HA   _H13    63     1.08644   119.98919  -179.36975
   73    71 S   CA   _C16    64     1.39851   120.14580     0.37794
   74    73 S   HA   _H12    65     1.08713   117.52422  -178.65375
   75    65 S   CA   _C15    66     1.40014   118.79651    17.42715
  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
  12   5   4   2   1   1  13   8  13   7   5   2   1   1   9   5
   4   6  10  15  12  13   7   4   8   3   6   3   2   1   2   1
   8   1   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    50    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    49    51    66    50    43    44    45    46  
   41    42    47    50    43    44    45    46  
   42    47    48    49    51    52    63    66    50    43    44    45    46  
   47    48    49    51    66    50    43  
   44    45    46    47    50  
   45    46  
   46  
    0  
   48    49    51    52    53    63    66    50    54  
   49    51    52    66    50  
   51    52    66    50  
   51    52    55    63    64    66  
   52    53    55    63    64    66    57    75    54    59  
   53    55    56    63    66    57    58    65    73    75    54    59    60    61    62  
   55    56    63    64    66    57    58    65    67    75    54    59  
   59    60    61    62    55    57    65    66    67    71    73    74    75  
   56    63    64    66    57    58    65  
   63    64    66    57  
   58    65    67    68    69    73    75    63  
   65    67    75  
   60    61    62    65    73    75  
   61    62    75  
   62    75  
   75  
   64    66  
   66  
   67    68    69    70    71    73    74    75  
    0  
   68    69    70    71    72    73    75  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75  
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
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   570.000  1.307
   39    41   268.000  1.529
   39    43   268.000  1.529
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   317.000  1.510
   51    52   469.000  1.400
   51    66   469.000  1.400
   52    53   469.000  1.400
   52    54   481.000  1.340
   53    55   469.000  1.400
   53    57   310.000  1.470
   55    56   450.000  1.364
   55    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    50   450.000  1.364
   57    58   570.000  1.229
   57    65   310.000  1.470
   65    67   469.000  1.400
   65    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    54   481.000  1.340
   54    59   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    43    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    37.50000  110.70000
   39    41    47    58.35000  112.70000
   39    41    50    50.00000  109.50000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    50.00000  109.50000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    51    70.00000  112.17500
   41    50    66    75.00000  111.00000
   47    41    42    37.50000  110.70000
   47    51    52    70.00000  120.00000
   47    51    66    70.00000  120.00000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
   51    52    53    63.00000  120.00000
   51    52    54    70.00000  120.10000
   51    66    63    63.00000  120.00000
   51    66    50    70.00000  120.00000
   52    53    55    63.00000  120.00000
   52    53    57    60.00000  119.52600
   52    54    75    50.00000  129.00000
   52    54    59    50.00000  120.00000
   53    55    56    70.00000  120.00000
   53    55    63    63.00000  120.00000
   53    57    58    75.00000  123.78400
   53    57    65    65.00000  116.00000
   55    63    64    35.00000  120.00000
   55    63    66    63.00000  120.00000
   63    55    56    70.00000  120.00000
   63    66    50    70.00000  120.00000
   66    51    52    63.00000  120.00000
   66    63    64    35.00000  120.00000
   50    41    42    35.00000  109.50000
   50    41    47    50.00000  109.50000
   57    53    55    60.00000  119.52600
   57    65    67    60.00000  119.52600
   57    65    75    60.00000  119.52600
   65    57    58    75.00000  123.78400
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   65    75    73    63.00000  120.00000
   65    75    54    70.00000  120.10000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    54    70.00000  120.10000
   75    65    67    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    54    59    50.00000  120.00000
   54    52    53    70.00000  120.10000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   43    39    40    50.00000  109.50000
   43    39    41    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    47   0.56750  1.0 1.0
   33    39    41    47  -0.07550 -1.0 2.0
   33    39    41    47   0.20000  1.0 3.0
   33    39    41    50   0.62750  1.0 1.0
   33    39    41    50  -0.30950 -1.0 2.0
   33    39    41    50   0.27300  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   0.15000  1.0 3.0
   39    41    47    49   0.15000  1.0 3.0
   39    41    47    51  -0.03700  1.0 1.0
   39    41    47    51   0.37200 -1.0 2.0
   39    41    47    51  -0.47300  1.0 3.0
   39    41    50    66  -0.32850  1.0 1.0
   39    41    50    66  -0.35800 -1.0 2.0
   39    41    50    66   0.33950  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    47   0.62750  1.0 1.0
   40    39    41    47  -0.30950 -1.0 2.0
   40    39    41    47   0.27300  1.0 3.0
   40    39    41    50   1.11900  1.0 1.0
   40    39    41    50  -1.16350 -1.0 2.0
   40    39    41    50  -0.34150  1.0 3.0
   40    39    43    44   0.23400  1.0 3.0
   40    39    43    45   0.23400  1.0 3.0
   40    39    43    46   0.23400  1.0 3.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    46   0.15000  1.0 3.0
   41    47    51    52   0.04150 -1.0 2.0
   41    47   -51    66   0.04150 -1.0 2.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    51   0.43200  1.0 3.0
   42    41    50    66   0.08050  1.0 3.0
   47    41   -50    66  -0.32850  1.0 1.0
   47    41   -50    66  -0.35800 -1.0 2.0
   47    41   -50    66   0.33950  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    54   3.62500 -1.0 2.0
   47    51    66    63   3.62500 -1.0 2.0
   47    51   -66    50   3.62500 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    66   0.00000  1.0 1.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    66   0.00000  1.0 1.0
   51    52    53    55   3.62500 -1.0 2.0
   51    52    53    57   3.62500 -1.0 2.0
   51    52    54    75   0.17750 -1.0 2.0
   51    52    54    59  -1.00000  1.0 1.0
   51    52    54    59   1.25000 -1.0 2.0
   51    66   -50    41   1.63200 -1.0 2.0
   52    51    66    63   3.62500 -1.0 2.0
   52    51    66    50   3.62500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53   -55    63   3.62500 -1.0 2.0
   52    53    57    58   1.05000 -1.0 2.0
   52    53    57    65   0.56600 -1.0 2.0
   52    54    59    60   0.00000  1.0 1.0
   52    54    59    61   0.00000  1.0 1.0
   52    54    59    62   0.00000  1.0 1.0
   53    52    54    75   0.17750 -1.0 2.0
   53    52    54    59  -1.00000  1.0 1.0
   53    52    54    59   1.25000 -1.0 2.0
   53    55    63    64   3.62500 -1.0 2.0
   53    55    63    66   3.62500 -1.0 2.0
   53    57    65    67   0.56600 -1.0 2.0
   53    57   -65    75   0.56600 -1.0 2.0
   55    53    57    58   1.05000 -1.0 2.0
   55    53    57    65   0.56600 -1.0 2.0
   55    63   -66    51   3.62500 -1.0 2.0
   55    63    66    50   3.62500 -1.0 2.0
   56    55    63    64   3.62500 -1.0 2.0
   56    55    63    66   3.62500 -1.0 2.0
   63    66    50    41   1.63200 -1.0 2.0
   64    63    66    51   3.62500 -1.0 2.0
   64    63    66    50   3.62500 -1.0 2.0
   66    51   -52    53   3.62500 -1.0 2.0
   66    51    52    54   3.62500 -1.0 2.0
   50    41    47    48   0.23400  1.0 3.0
   50    41    47    49   0.23400  1.0 3.0
   50    41   -47    51  -0.64350  1.0 1.0
   50    41   -47    51  -0.04200 -1.0 2.0
   50    41   -47    51   0.19800  1.0 3.0
   57    53    55    56   3.62500 -1.0 2.0
   57    53    55    63   3.62500 -1.0 2.0
   57    65    67    68   3.62500 -1.0 2.0
   57    65    67    69   3.62500 -1.0 2.0
   57    65    75    73   3.62500 -1.0 2.0
   57    65    75    54   3.62500 -1.0 2.0
   58    57    65    67   1.05000 -1.0 2.0
   58    57    65    75   1.05000 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   65    75   -54    52   0.17750 -1.0 2.0
   65    75    54    59  -1.00000  1.0 1.0
   65    75    54    59   1.25000 -1.0 2.0
   67    65    75    73   3.62500 -1.0 2.0
   67    65    75    54   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    65   3.62500 -1.0 2.0
   71    73    75    54   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    54    52   0.17750 -1.0 2.0
   73    75    54    59  -1.00000  1.0 1.0
   73    75    54    59   1.25000 -1.0 2.0
   74    73    75    65   3.62500 -1.0 2.0
   74    73    75    54   3.62500 -1.0 2.0
   75    65    67    68   3.62500 -1.0 2.0
   75    65   -67    69   3.62500 -1.0 2.0
   75    54    59    60   0.00000  1.0 1.0
   75    54    59    61   0.00000  1.0 1.0
   75    54    59    62   0.00000  1.0 1.0
   54    52    53    55   3.62500 -1.0 2.0
   54    52   -53    57   3.62500 -1.0 2.0
   43    39    41    42   0.15000  1.0 3.0
   43    39    41    47   0.56750  1.0 1.0
   43    39    41    47  -0.07550 -1.0 2.0
   43    39    41    47   0.20000  1.0 3.0
   43    39    41    50   0.62750  1.0 1.0
   43    39    41    50  -0.30950 -1.0 2.0
   43    39    41    50   0.27300  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
   52    66    51    47   4.00000 -1.0 2.0
   53    54    52    51   4.00000 -1.0 2.0
   55    57    53    52   4.00000 -1.0 2.0
   63    56    55    53   4.00000 -1.0 2.0
   66    64    63    55   1.10000 -1.0 2.0
   63    50    66    51   4.00000 -1.0 2.0
   53    65    57    58  10.50000 -1.0 2.0
   67    75    65    57   4.00000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    54    75    65   4.00000 -1.0 2.0
   59    52    54    75   1.00000 -1.0 2.0
END
