* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    138    213     400
    1     0 S   NP   _N1_     1    28.77237    96.58721   -20.62606
    2     1 S   H    _HN1     2     1.02775    85.14967   -69.41678
    3     1 S   H    _H1_     3     1.02968    82.15365    39.89326
    4     1 S   H    _H2_     4     1.02833    41.77056   166.59988
    5     1 S   CT   _CA1     5     1.50144   152.37131   159.40548
    6     5 S   HC   _HA1     6     1.09581   105.18802    64.15300
    7     5 S   CO3  _C1_     7     1.53735   112.47292   -55.87567
    8     7 S   O2Z  _O11     8     1.26341   114.99527   -41.48280
    9     7 S   O2Z  _O12     9     1.26251   114.91832   137.66379
   10     5 S   CT   _CB1    10     1.53093   107.39175  -178.06205
   11    10 S   HC   HB11    11     1.09817   109.09751   -51.78044
   12    10 S   HC   HB12    12     1.09821   110.47154    64.69473
   13    10 S   CT   _CG1    13     1.52998   112.78624  -173.02785
   14    13 S   HC   HG11    14     1.09609   110.28361   -66.46639
   15    13 S   HC   HG12    15     1.09653   110.07618    52.71699
   16    13 S   C    _CD1    16     1.51850   112.39614   172.82242
   17    16 S   O    _OE1    17     1.22716   123.27911    -6.16720
   18    16 S   N    _N2_    18     1.38600   111.60266   174.54436
   19    18 S   H    _HN2    19     1.01587   118.95918     0.24708
   20    18 S   CT1  _CA2    20     1.46286   123.51461  -179.86012
   21    20 S   HC   _HA2    21     1.09731   109.40977   -13.10281
   22    20 S   C    _C2_    22     1.53440   108.17860  -128.72963
   23    22 S   O    _O2_    23     1.23009   122.29836  -145.55900
   24    20 S   CT   _CB2    32     1.53359   111.28123   109.15989
   25    24 S   HC   HB21    33     1.09594   109.50013    53.42112
   26    24 S   HC   HB22    34     1.09496   110.74761   172.28830
   27    22 S   N    _N3_    24     1.38527   113.32658    41.80020
   28    27 S   H    _HN3    25     1.01528   118.89058    -0.67319
   29    24 S   S    _SG2    35     1.82843   111.56277   -68.10020
   30    27 S   CT   _CA3    26     1.45455   123.51090   175.07328
   31    30 S   HC   HA31    27     1.09518   109.29904    23.04807
   32    30 S   HC   HA32    28     1.09496   107.10298   140.07250
   33    29 S   CT   _C20    36     1.83321    99.59783   154.48181
   34    33 S   HC   _H3_    37     1.09398   107.59521   -47.71662
   35    30 S   CO3  _C3_    29     1.52926   113.08638  -100.46754
   36    35 S   O2Z  _O31    30     1.26404   115.40043   -44.10851
   37    35 S   O2Z  _O32    31     1.26353   114.98042   136.81045
   38    33 S   CM   _C11    38     1.50796   109.63000    71.72864
   39    38 S   HC   _H27    39     1.08825   116.75059    59.41516
   40    33 S   CM   _C12    56     1.50781   108.25125  -166.91866
   41    40 S   HC   _H28    57     1.09154   115.67915   -73.48973
   42    38 S   CM   _C10    40     1.34335   123.16620  -120.13557
   43    42 S   HC   _H26    41     1.08765   119.41315     0.91215
   44    40 S   CMA  _C13    58     1.35451   127.03463   108.25990
   45    44 S   OM   _O19    59     1.26222   128.19892   177.51462
   46    42 S   CA   _C7_    42     1.47149   124.80638   179.46514
   47    44 S   NE   _N18    60     1.40087   121.74533    -3.63410
   48    46 S   CA   _C4_    43     1.41453   118.29090  -150.03956
   49    48 S   HA   _H23    44     1.08860   120.21569     1.63027
   50    47 S   CT   _C17    61     1.46942   121.86590   -69.68905
   51    50 S   HC   _H35    62     1.09651   109.73949   103.22959
   52    50 S   HC   _H36    63     1.09678   110.98911   -15.25806
   53    48 S   CA   _C5_    45     1.39893   121.27745  -178.77731
   54    53 S   HA   _H24    46     1.08408   120.86604  -179.61235
   55    50 S   CT   _C15    64     1.52674   109.89751  -135.78906
   56    55 S   HC   _H31    65     1.09499   109.75080  -175.71065
   57    55 S   HC   _H32    66     1.09719   109.50176    66.88600
   58    53 S   CA   _C8_    47     1.37736   117.70440     0.53008
   59    55 S   CT   _C14    67     1.52689   111.35400   -54.00567
   60    59 S   HC   _H29    68     1.09685   109.55010   -66.91565
   61    59 S   HC   _H30    69     1.09558   109.85490   175.65589
   62    58 S   CA   _C9_    48     1.37429   121.61773     0.17471
   63    59 S   CT   _C16    70     1.52704   110.79546    54.07636
   64    63 S   HC   _H33    71     1.09725   109.15399    66.93879
   65    63 S   HC   _H34    72     1.09558   109.82504  -175.87754
   66    46 S   CA   _C6_    49     1.40443   122.43423    32.48074
   67    66 S   HA   _H25    50     1.08508   121.92271    -0.77455
   68    62 S   OS   _O21    51     1.36130   112.31348   179.55063
   69    47 S   CT   _C18    73     1.46863   121.73354    97.02059
   70    69 S   HC   _H37    74     1.09681   111.26289    14.68117
   71    69 S   HC   _H38    75     1.09692   109.20517  -103.15243
   72    68 S   CO   _C19    52     1.44226   100.97768     0.21306
   73    72 S   HC   _H39    53     1.09607   108.66731  -121.13216
   74    72 S   HC   _H40    54     1.09610   108.67647   120.70915
   75    58 S   OS   _O20    55     1.36039   125.96608   179.82641
  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   8   5   4   3
  11   6   2   1   1   9   4   7   3   8   3  10   3   9  13   8
   4  12   6   5   7   3   9   5   4   8   8   5   4   7   5   4
   3   4   1   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    66    40    41    44  
   42    43    46    40  
   41    44    45    47    50    69    42  
   44    45    47  
   43    46    48    49    53    62    66    67  
   46    48    66  
   45    47    50    51    52    55    63    69    70    71  
   47    50    69  
   48    49    53    54    58    62    66    67    68  
   50    51    52    55    56    57    59    63    64    65    69    70    71  
   49    53    54    58    62    66    67    75  
   53    54    58    66  
   51    52    55    56    57    59    60    61    63    69    70    71  
   52    55    56    57    59    69  
   55    56    57    59    69  
   54    58    62    66    68    72    75  
   58    62    75  
   56    57    59    60    61    63    64    65    69  
   57    59    60    61    63  
   59    60    61    63  
   62    66    67    68    72    73    74    75  
   60    61    63    64    65    69    70    71  
   61    63    64    65    69  
   63    64    65    69  
   66    67    68    72    73    74    75  
   64    65    69    70    71  
   65    69    70    71  
   69    70    71  
   67    68    72    75  
   68  
   72    73    74    75  
   70    71  
   71  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.460
   46    48   469.000  1.400
   46    66   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    75   450.000  1.364
   62    66   469.000  1.400
   62    68   450.000  1.364
   66    67   367.000  1.080
   68    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.380
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    47   415.000  1.382
   47    50   382.000  1.448
   47    69   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    60.00000  123.20500
   42    38    39    35.00000  120.00000
   42    46    48    60.00000  120.93500
   42    46    66    60.00000  120.93500
   46    42    43    40.00000  117.26300
   46    48    49    35.00000  120.00000
   46    48    53    63.00000  120.00000
   46    66    62    63.00000  120.00000
   46    66    67    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    58    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    58    62    63.00000  120.00000
   53    58    75    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    66    63.00000  120.00000
   58    62    68    70.00000  120.00000
   58    75    72   100.00000  112.36700
   62    66    67    35.00000  120.00000
   62    68    72   100.00000  112.36700
   66    46    48    63.00000  120.00000
   68    62    66    70.00000  120.00000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    92.60000  111.55000
   74    72    73    33.00000  109.50000
   75    58    62    70.00000  120.00000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    47    75.00000  114.40000
   44    40    41    40.00000  120.50800
   44    47    50    50.00000  121.00000
   44    47    69    50.00000  121.00000
   47    44    45   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    55    80.00000  111.61500
   47    69    63    80.00000  111.61500
   47    69    70    35.00000  109.50000
   47    69    71    35.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    59    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    63    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    47    50    50.00000  115.00000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   71    69    70    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    48   0.15800  1.0 1.0
   38    42    46    48   1.85350 -1.0 2.0
   38    42    46    48  -0.48700  1.0 3.0
   38    42    46    66   0.15800  1.0 1.0
   38    42    46    66   1.85350 -1.0 2.0
   38    42    46    66  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    48    49   3.62500 -1.0 2.0
   42    46    48    53   3.62500 -1.0 2.0
   42    46    66    62   3.62500 -1.0 2.0
   42    46    66    67   3.62500 -1.0 2.0
   43    42    46    48   0.56550  1.0 3.0
   43    42    46    66   0.56550  1.0 3.0
   46    48    53    54   3.62500 -1.0 2.0
   46    48    53    58   3.62500 -1.0 2.0
   48    46    66    62   3.62500 -1.0 2.0
   48    46    66    67   3.62500 -1.0 2.0
   48    53   -58    62   3.62500 -1.0 2.0
   48    53    58    75   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    58   3.62500 -1.0 2.0
   53    58    62    66   3.62500 -1.0 2.0
   53    58    62    68   3.62500 -1.0 2.0
   53    58    75    72   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    75   3.62500 -1.0 2.0
   58    62   -66    46   3.62500 -1.0 2.0
   58    62    66    67   3.62500 -1.0 2.0
   58    62   -68    72   1.63200 -1.0 2.0
   62    58   -75    72   1.63200 -1.0 2.0
   62    68    72    73   0.08050  1.0 3.0
   62    68    72    74   0.08050  1.0 3.0
   62    68   -72    75  -0.25600  1.0 1.0
   62    68   -72    75  -0.40050 -1.0 2.0
   62    68   -72    75   0.34700  1.0 3.0
   66    46    48    49   3.62500 -1.0 2.0
   66    46   -48    53   3.62500 -1.0 2.0
   66    62    68    72   1.63200 -1.0 2.0
   68    62    66    46   3.62500 -1.0 2.0
   68    62    66    67   3.62500 -1.0 2.0
   68    72   -75    58  -0.25600  1.0 1.0
   68    72   -75    58  -0.40050 -1.0 2.0
   68    72   -75    58   0.34700  1.0 3.0
   73    72    75    58   0.08050  1.0 3.0
   74    72    75    58   0.08050  1.0 3.0
   75    58    62    66   3.62500 -1.0 2.0
   75    58   -62    68   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    47    50  -0.54700  1.0 1.0
   40    44    47    50   1.23000 -1.0 2.0
   40    44    47    69  -0.54700  1.0 1.0
   40    44    47    69   1.23000 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47    50    51   0.00000  1.0 1.0
   44    47    50    52   0.00000  1.0 1.0
   44    47    50    55   0.25450  1.0 1.0
   44    47    50    55  -0.61700 -1.0 2.0
   44    47    50    55  -0.23550  1.0 3.0
   44    47    69    63   0.25450  1.0 1.0
   44    47    69    63  -0.61700 -1.0 2.0
   44    47    69    63  -0.23550  1.0 3.0
   44    47    69    70   0.00000  1.0 1.0
   44    47    69    71   0.00000  1.0 1.0
   45    44    47    50   1.00000 -1.0 2.0
   45    44    47    69   1.00000 -1.0 2.0
   47    50    55    56   0.22950  1.0 3.0
   47    50    55    57   0.22950  1.0 3.0
   47    50    55    59   1.26750  1.0 1.0
   47    50    55    59  -0.00950 -1.0 2.0
   47    50    55    59   0.30600  1.0 3.0
   50    47    69    63   0.00000  1.0 1.0
   50    47    69    70   0.00000  1.0 1.0
   50    47    69    71   0.00000  1.0 1.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.15000  1.0 3.0
   50    55   -59    63   0.56750  1.0 1.0
   50    55   -59    63  -0.07550 -1.0 2.0
   50    55   -59    63   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    59   0.15000  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59    63    69   0.56750  1.0 1.0
   55    59    63    69  -0.07550 -1.0 2.0
   55    59    63    69   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   59    63   -69    47   1.26750  1.0 1.0
   59    63   -69    47  -0.00950 -1.0 2.0
   59    63   -69    47   0.30600  1.0 3.0
   59    63    69    70   0.15000  1.0 3.0
   59    63    69    71   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    69   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    69   0.15000  1.0 3.0
   64    63    69    47   0.22950  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   65    63    69    47   0.22950  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   69    47    50    51   0.00000  1.0 1.0
   69    47    50    52   0.00000  1.0 1.0
   69    47   -50    55   0.00000  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   48    66    46    42   4.00000 -1.0 2.0
   53    49    48    46   1.10000 -1.0 2.0
   58    54    53    48   1.10000 -1.0 2.0
   62    75    58    53   4.00000 -1.0 2.0
   66    68    62    58   4.00000 -1.0 2.0
   62    67    66    46   1.10000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   47    45    44    40  15.00000 -1.0 2.0
   69    44    47    50   1.00000 -1.0 2.0
END
