* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    124    191     358
    1     0 S   NP   _N1_     1    33.56266   100.83195   -18.32650
    2     1 S   H    _HN1     2     1.02884   123.66969   139.35330
    3     1 S   H    _H1_     3     1.03493   118.19535   -80.75634
    4     1 S   H    _H2_     4     1.02738    29.64781  -156.82236
    5     1 S   CT   _CA1     5     1.50410    82.34588    30.36294
    6     5 S   HC   _HA1     6     1.09476   104.43564  -173.53307
    7     5 S   CO3  _C1_     7     1.54547   111.64123    70.66764
    8     7 S   O2Z  _O11     8     1.26099   116.62630  -137.60379
    9     7 S   O2Z  _O12     9     1.26631   114.03283    42.00017
   10     5 S   CT   _CB1    10     1.53305   107.03771   -56.94495
   11    10 S   HC   HB11    11     1.09733   110.10107   -38.10317
   12    10 S   HC   HB12    12     1.09806   109.18482    77.60655
   13    10 S   CT   _CG1    13     1.53395   112.88234  -161.52429
   14    13 S   HC   HG11    14     1.09636   109.95919  -118.50883
   15    13 S   HC   HG12    15     1.09582   112.28200     0.36154
   16    13 S   C    _CD1    16     1.51548   111.18625   122.21180
   17    16 S   O    _OE1    17     1.22839   121.84678   103.35882
   18    16 S   N    _N2_    18     1.38300   112.90202   -75.76652
   19    18 S   H    _HN2    19     1.01730   119.21304     0.38563
   20    18 S   CT1  _CA2    20     1.45836   123.10574   178.27138
   21    20 S   HC   _HA2    21     1.09716   108.53673    27.68085
   22    20 S   C    _C2_    22     1.53169   109.26378   -88.63013
   23    22 S   O    _O2_    23     1.23128   121.07843   154.46673
   24    20 S   CT   _CB2    32     1.53389   112.27929   150.62362
   25    24 S   HC   HB21    33     1.09230   111.04119    60.44947
   26    24 S   HC   HB22    34     1.09623   109.25224   177.04117
   27    22 S   N    _N3_    24     1.38234   114.50426   -32.86689
   28    27 S   H    _HN3    25     1.01551   119.40470     2.90279
   29    24 S   S    _SG2    35     1.82930   112.01689   -65.18625
   30    27 S   CT   _CA3    26     1.45271   123.20256  -177.32007
   31    30 S   HC   HA31    27     1.09557   108.16081   -47.41932
   32    30 S   HC   HA32    28     1.09544   107.33996    69.02394
   33    29 S   CT   _C5_    36     1.85717   102.33098   116.06039
   34    30 S   CO3  _C3_    29     1.52936   114.18768  -169.56440
   35    34 S   O2Z  _O31    30     1.26434   116.15371     0.65252
   36    34 S   O2Z  _O32    31     1.26402   114.50547  -179.52194
   37    33 S   CO4  _C8_    37     1.52641   106.92294  -177.13775
   38    37 S   O    _O34    38     1.22298   126.72185   -43.40273
   39    33 S   CT   _C4_    65     1.53812   110.62226    67.47672
   40    39 S   HC   _H5_    66     1.09431   112.83314   -64.94786
   41    39 S   HC   _H6_    67     1.09669   111.27059   174.24991
   42    39 S   HC   _H7_    68     1.09717   111.25391    56.04319
   43    37 S   OS   _O33    39     1.36836   110.11952   139.12610
   44    43 S   CT   _C7_    40     1.44130   110.39201     0.55249
   45    44 S   HC   _H4_    41     1.09832   105.23886    97.11120
   46    44 S   CA   _C9_    42     1.52341   109.57912  -144.27098
   47    33 S   CT   _C6_    62     1.55104   112.76998   -67.28061
   48    47 S   OM   _O38    63     1.32159   112.58604    96.58450
   49    47 S   HC   _H3_    64     1.10084   106.07705   -35.78192
   50    46 S   CA   _C10    43     1.41123   119.48788    44.89291
   51    50 S   HA   _H8_    44     1.08854   119.50767    -1.36716
   52    50 S   CA   _C11    45     1.39460   120.99354   177.62603
   53    52 S   CA   _C15    46     1.38758   118.69933     0.52489
   54    53 S   CA   _C16    47     1.39373   121.88063    -0.45154
   55    54 S   HA   _H11    48     1.08499   118.37510  -179.67195
   56    53 S   OS   _O36    55     1.41037   120.65132  -179.86730
   57    46 S   CA   _C17    49     1.41311   121.32603  -137.81223
   58    56 S   CO4  _C14    56     1.39013   121.46196     0.96995
   59    58 S   O    _O35    57     1.22625   122.09776   179.74283
   60    57 S   OS   _O37    50     1.37236   116.34212     1.86614
   61    58 S   CM   _C13    58     1.47435   116.85123    -0.74309
   62    61 S   HC   _H10    59     1.08412   117.12931  -179.89165
   63    60 S   CT   _C18    51     1.42222   117.27744  -169.66846
   64    63 S   HC   _H12    52     1.09429   107.71016   173.99032
   65    63 S   HC   _H13    53     1.09514   111.37140    56.18155
   66    63 S   HC   _H14    54     1.09471   110.96636   -68.44816
   67    52 S   CM   _C12    60     1.45273   122.28575  -178.83048
   68    67 S   HC   _H9_    61     1.08427   119.10598    -0.37273
  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
  13   2   1   1  12   4   8   3   2   1   8  11   6  13   4   1
   1  10   4  10  10   7   3   6   5   5   3   4   3   2   3   2
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    48    49    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    47    48    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    48    49    39    40    41    42  
   43    44    47    39  
   40    41    42    43    44    47    48    49  
   41    42    47  
   42    47  
   47  
   44    45    46    50    57    47    48    49  
   45    46    50    51    52    54    57    60    47    48    49  
   46    50    57    47    48    49  
   50    51    52    53    54    55    57    60    63    67    47    48    49  
   48    49    50    57  
   49  
    0  
   51    52    53    54    57    60    56    61    67    68  
   52    53    57    67  
   53    54    55    57    56    58    61    62    67    68  
   54    55    57    60    56    58    59    61    67    68  
   55    57    60    63    56    58    67  
   57    60    56  
   58    59    61    62    67    57  
   60    63    64    65    66  
   59    61    62    67    68  
   61    62    67  
   63    64    65    66  
   62    67    68  
   67    68  
   64    65    66  
   65    66  
   66  
    0  
   68  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   47   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   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  1.522
   33    47   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    47   268.000  1.529
   46    50   469.000  1.400
   46    57   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    67   320.000  1.460
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    60   450.000  1.364
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    61   320.000  1.462
   61    62   340.000  1.080
   61    67   549.000  1.340
   67    68   340.000  1.080
   47    48   570.000  1.307
   47    49   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  110.18000
   29    33    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    81.00000  111.40000
   33    47    44    58.35000  112.70000
   33    47    48    50.00000  109.50000
   33    47    49    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    83.00000  116.90000
   43    37    38    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  111.85700
   43    44    47    50.00000  109.50000
   44    46    50    70.00000  120.00000
   44    46    57    70.00000  120.00000
   44    47    48    50.00000  109.50000
   44    47    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    52    63.00000  120.00000
   46    57    54    63.00000  120.00000
   46    57    60    70.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    67    60.00000  120.93500
   52    50    51    35.00000  120.00000
   52    53    54    63.00000  120.00000
   52    53    56    70.00000  120.00000
   52    67    61    60.00000  123.20500
   52    67    68    40.00000  117.26300
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    58    85.00000  115.98000
   54    57    60    70.00000  120.00000
   57    46    50    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    60    63    75.00000  111.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    53    54    70.00000  120.00000
   56    58    59    83.00000  123.40000
   56    58    61    90.00000  111.29400
   58    61    62    40.00000  117.72500
   58    61    67    65.00000  118.96000
   61    58    59    80.00000  123.72100
   61    67    68    35.00000  120.00000
   67    52    53    60.00000  120.93500
   67    61    62    35.00000  120.00000
   47    33    37    63.00000  111.10000
   47    44    45    37.50000  110.70000
   47    44    46    70.00000  112.17500
   49    47    48    45.00000  125.66300
   39    33    37    63.00000  111.10000
   39    33    47    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    37    43   0.40000  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    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    42   0.15000  1.0 3.0
   33    37   -43    44   1.63150  1.0 1.0
   33    37   -43    44   2.92000 -1.0 2.0
   37    33   -47    44  -0.95700  1.0 1.0
   37    33   -47    44  -0.18200 -1.0 2.0
   37    33   -47    44   0.29450  1.0 3.0
   37    33    47    48  -0.09450  1.0 1.0
   37    33    47    48  -1.12950 -1.0 2.0
   37    33    47    48   0.54000  1.0 3.0
   37    33    47    49  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43    44    45   0.08050  1.0 3.0
   37    43    44    46  -0.43900 -1.0 2.0
   37    43    44    46   0.14100  1.0 3.0
   37    43   -44    47  -0.25900  1.0 1.0
   37    43   -44    47  -0.47000 -1.0 2.0
   37    43   -44    47   0.11750  1.0 3.0
   38    37    43    44   3.00000 -1.0 2.0
   43    44    46    50   0.64500  1.0 1.0
   43    44    46    50   0.14800 -1.0 2.0
   43    44    46    50   0.20650  1.0 3.0
   43    44    46    57   0.64500  1.0 1.0
   43    44    46    57   0.14800 -1.0 2.0
   43    44    46    57   0.20650  1.0 3.0
   43    44   -47    33   0.62750  1.0 1.0
   43    44   -47    33  -0.30950 -1.0 2.0
   43    44   -47    33   0.27300  1.0 3.0
   43    44    47    48   1.11900  1.0 1.0
   43    44    47    48  -1.16350 -1.0 2.0
   43    44    47    48  -0.34150  1.0 3.0
   43    44    47    49   0.23400  1.0 3.0
   44    46    50    51   3.62500 -1.0 2.0
   44    46    50    52   3.62500 -1.0 2.0
   44    46    57    54   3.62500 -1.0 2.0
   44    46    57    60   3.62500 -1.0 2.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    46    57   0.00000  1.0 1.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.23400  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   46    44    47    33  -0.03700  1.0 1.0
   46    44    47    33   0.37200 -1.0 2.0
   46    44    47    33  -0.47300  1.0 3.0
   46    44    47    48  -0.64350  1.0 1.0
   46    44    47    48  -0.04200 -1.0 2.0
   46    44    47    48   0.19800  1.0 3.0
   46    44    47    49   0.43200  1.0 3.0
   46    50    52    53   3.62500 -1.0 2.0
   46    50    52    67   3.62500 -1.0 2.0
   46    57    60    63   1.63200 -1.0 2.0
   50    46    57    54   3.62500 -1.0 2.0
   50    46    57    60   3.62500 -1.0 2.0
   50    52   -53    54   3.62500 -1.0 2.0
   50    52    53    56   3.62500 -1.0 2.0
   50    52    67    61   0.15800  1.0 1.0
   50    52    67    61   1.85350 -1.0 2.0
   50    52    67    61  -0.48700  1.0 3.0
   50    52    67    68   0.56550  1.0 3.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    67   3.62500 -1.0 2.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    56    58   0.01300  1.0 1.0
   52    53    56    58   0.97950 -1.0 2.0
   52    53    56    58  -0.55700  1.0 3.0
   53    52    67    61   0.15800  1.0 1.0
   53    52    67    61   1.85350 -1.0 2.0
   53    52    67    61  -0.48700  1.0 3.0
   53    52    67    68   0.56550  1.0 3.0
   53    54   -57    46   3.62500 -1.0 2.0
   53    54    57    60   3.62500 -1.0 2.0
   53    56    58    59   3.00000 -1.0 2.0
   53    56   -58    61   2.00000 -1.0 2.0
   54    53    56    58   0.01300  1.0 1.0
   54    53    56    58   0.97950 -1.0 2.0
   54    53    56    58  -0.55700  1.0 3.0
   54    57    60    63   1.63200 -1.0 2.0
   55    54    57    46   3.62500 -1.0 2.0
   55    54    57    60   3.62500 -1.0 2.0
   57    46    50    51   3.62500 -1.0 2.0
   57    46   -50    52   3.62500 -1.0 2.0
   57    60    63    64   0.08050  1.0 3.0
   57    60    63    65   0.08050  1.0 3.0
   57    60    63    66   0.08050  1.0 3.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    58    61    62   1.63100 -1.0 2.0
   56    58    61    67  -0.56150  1.0 1.0
   56    58    61    67   2.19150 -1.0 2.0
   58    61   -67    52   7.00000 -1.0 2.0
   58    61    67    68   7.00000 -1.0 2.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    67   1.00000 -1.0 2.0
   62    61    67    52   7.00000 -1.0 2.0
   62    61    67    68   7.00000 -1.0 2.0
   67    52    53    54   3.62500 -1.0 2.0
   67    52   -53    56   3.62500 -1.0 2.0
   47    33    37    38   0.30150 -1.0 2.0
   47    33   -37    43   0.36750  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    33    39    41   0.15000  1.0 3.0
   47    33    39    42   0.15000  1.0 3.0
   47    44    46    50   0.04150 -1.0 2.0
   47    44    46    57   0.04150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.36750  1.0 3.0
   39    33    47    44   0.56750  1.0 1.0
   39    33    47    44  -0.07550 -1.0 2.0
   39    33    47    44   0.20000  1.0 3.0
   39    33    47    48   0.62750  1.0 1.0
   39    33    47    48  -0.30950 -1.0 2.0
   39    33    47    48   0.27300  1.0 3.0
   39    33    47    49   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   50    57    46    44   4.00000 -1.0 2.0
   52    51    50    46   1.10000 -1.0 2.0
   53    67    52    50   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   54    60    57    46   4.00000 -1.0 2.0
   56    61    58    59  10.50000 -1.0 2.0
   58    62    61    67   1.10000 -1.0 2.0
   52    68    67    61   1.10000 -1.0 2.0
END
