* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    132    204     380
    1     0 S   NP   _N1_     1    29.60926    93.09303   -25.35682
    2     1 S   H    _HN1     2     1.02832     9.41970   157.00468
    3     1 S   H    _H1_     3     1.02786   109.00030  -118.32811
    4     1 S   H    _H2_     4     1.02948    98.08563    -5.66476
    5     1 S   CT   _CA1     5     1.50115   117.61850   112.52729
    6     5 S   HC   _HA1     6     1.09561   105.24425    66.34174
    7     5 S   CO3  _C1_     7     1.53828   112.36668   -54.07663
    8     7 S   O2Z  _O11     8     1.26388   114.99277   -42.95673
    9     7 S   O2Z  _O12     9     1.26225   114.94855   136.16474
   10     5 S   CT   _CB1    10     1.53047   107.44279  -175.49433
   11    10 S   HC   HB11    11     1.09834   109.61605   -47.92480
   12    10 S   HC   HB12    12     1.09807   110.30980    68.67847
   13    10 S   CT   _CG1    13     1.53033   112.62830  -168.81463
   14    13 S   HC   HG11    14     1.09576   110.67017   -61.78924
   15    13 S   HC   HG12    15     1.09643   109.87582    57.56959
   16    13 S   C    _CD1    16     1.51727   112.00666   178.25864
   17    16 S   O    _OE1    17     1.22747   123.08353     6.57891
   18    16 S   N    _N2_    18     1.38668   111.87785  -174.12450
   19    18 S   H    _HN2    19     1.01553   119.16179     3.64132
   20    18 S   CT1  _CA2    20     1.46173   123.19652  -178.15305
   21    20 S   HC   _HA2    21     1.09533   109.08489     4.41118
   22    20 S   C    _C2_    22     1.53538   109.24477  -110.71763
   23    22 S   O    _O2_    23     1.23079   122.21326  -149.13787
   24    20 S   CT   _CB2    32     1.53559   111.92119   126.46623
   25    24 S   HC   HB21    33     1.09676   109.35157    71.34263
   26    24 S   HC   HB22    34     1.09551   110.68353  -172.00569
   27    22 S   N    _N3_    24     1.38321   113.81440    38.13917
   28    27 S   H    _HN3    25     1.01569   119.54922    -2.89273
   29    24 S   S    _SG2    35     1.83127   115.41572   -47.63797
   30    27 S   CT   _CA3    26     1.45269   123.16934   177.09424
   31    30 S   HC   HA31    27     1.09551   107.46092   -65.46939
   32    30 S   HC   HA32    28     1.09558   108.03057    50.95302
   33    29 S   CT   _C12    36     1.83851   100.94292   -63.00177
   34    33 S   HC   _H3_    37     1.09230   108.49290    42.02923
   35    30 S   CO3  _C3_    29     1.52945   114.14033   172.98018
   36    35 S   O2Z  _O31    30     1.26372   116.11016    -1.35812
   37    35 S   O2Z  _O32    31     1.26440   114.39779   178.73731
   38    33 S   CM   _C11    38     1.50997   107.33081   159.27601
   39    38 S   HC   _H8_    39     1.08831   117.05253    67.00804
   40    33 S   CM   _C13    56     1.51007   109.21350   -79.84354
   41    40 S   HC   _H9_    57     1.08803   114.80675   -60.37037
   42    38 S   CM   _C10    40     1.34352   122.90291  -111.37619
   43    42 S   HC   _H7_    41     1.08762   119.64646     0.33455
   44    40 S   CMA  _C14    58     1.35760   125.78313   120.18758
   45    44 S   OM   _O33    59     1.26300   127.73458     0.15451
   46    42 S   CA   _C9_    42     1.46980   124.52311   177.75171
   47    44 S   NE   _N4_    60     1.41498   120.43982  -179.51463
   48    46 S   CA   _C4_    43     1.41406   118.27188  -144.80582
   49    48 S   HA   _H4_    44     1.08847   120.22488     1.54813
   50    47 S   CT   _C15    61     1.47102   124.61292     7.95712
   51    50 S   HC   _H10    62     1.09523   112.28307    48.08036
   52    50 S   HC   _H11    63     1.09608   109.71438   -73.68578
   53    48 S   CA   _C5_    45     1.39843   121.23135  -179.13521
   54    53 S   HA   _H5_    46     1.08415   120.78367  -179.33324
   55    50 S   CT   _C16    64     1.52405   104.89873   167.64905
   56    55 S   HC   _H12    65     1.09673   110.15177   -85.19558
   57    55 S   HC   _H13    66     1.09345   112.51457   153.87461
   58    53 S   CA   _C6_    47     1.37749   117.67144     0.62464
   59    55 S   CT   _C17    67     1.51425   102.73945    32.02220
   60    59 S   HC   _H14    68     1.09671   110.06282    77.77478
   61    59 S   HC   _H15    69     1.09344   113.01956  -160.97398
   62    58 S   CA   _C7_    48     1.37478   121.64844     0.09691
   63    47 S   CT   _C18    70     1.47599   126.01503  -172.51924
   64    63 S   HC   _H16    71     1.09556   112.55097    48.03762
   65    63 S   HC   _H17    72     1.09646   109.79643   -74.01643
   66    46 S   CA   _C8_    49     1.40383   122.31489    37.36939
   67    66 S   HA   _H6_    50     1.08510   121.81815    -0.61485
   68    62 S   OS   _O34    51     1.36136   112.30709   179.62885
   69    68 S   CO   _C19    52     1.44224   100.97391     0.22117
   70    69 S   HC   _H18    53     1.09608   108.66187  -121.15489
   71    69 S   HC   _H19    54     1.09610   108.67199   120.70211
   72    58 S   OS   _O35    55     1.36047   125.94698   179.83807
  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  12   8
   4  11   6   5   7   3   8   5   4   8   5   4   3   7   2   1
   1   4   1   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    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    63    42  
   44    45    47  
   43    46    48    49    53    62    66    67  
   46    48    66  
   45    47    50    51    52    55    59    63    64    65  
   47    50    63  
   48    49    53    54    58    62    66    67    68  
   50    51    52    55    56    57    59    60    61    63    64    65  
   49    53    54    58    62    66    67    72  
   53    54    58    66  
   51    52    55    56    57    59    60    61    63    64    65  
   52    55    56    57    59    63  
   55    56    57    59    63  
   54    58    62    66    68    69    72  
   58    62    72  
   56    57    59    60    61    63    64    65  
   57    59    60    61    63  
   59    60    61    63  
   62    66    67    68    69    70    71    72  
   60    61    63    64    65  
   61    63    64    65  
   63    64    65  
   66    67    68    69    70    71    72  
   64    65  
   65  
    0  
   67    68    69    72  
   68  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   72   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    72   450.000  1.364
   62    66   469.000  1.400
   62    68   450.000  1.364
   66    67   367.000  1.080
   68    69   320.000  1.380
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    63   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
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    72    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    72    69   100.00000  112.36700
   62    66    67    35.00000  120.00000
   62    68    69   100.00000  112.36700
   66    46    48    63.00000  120.00000
   68    62    66    70.00000  120.00000
   68    69    70    35.00000  109.50000
   68    69    71    35.00000  109.50000
   68    69    72    92.60000  111.55000
   71    69    70    33.00000  109.50000
   72    58    62    70.00000  120.00000
   72    69    70    35.00000  109.50000
   72    69    71    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    63    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    63    59    80.00000  111.61500
   47    63    64    35.00000  109.50000
   47    63    65    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
   61    59    60    33.00000  107.80000
   63    47    50    50.00000  115.00000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   65    63    64    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    72   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    72    69   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    72   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    69   1.63200 -1.0 2.0
   62    58   -72    69   1.63200 -1.0 2.0
   62    68    69    70   0.08050  1.0 3.0
   62    68    69    71   0.08050  1.0 3.0
   62    68   -69    72  -0.25600  1.0 1.0
   62    68   -69    72  -0.40050 -1.0 2.0
   62    68   -69    72   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    69   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    69   -72    58  -0.25600  1.0 1.0
   68    69   -72    58  -0.40050 -1.0 2.0
   68    69   -72    58   0.34700  1.0 3.0
   70    69    72    58   0.08050  1.0 3.0
   71    69    72    58   0.08050  1.0 3.0
   72    58    62    66   3.62500 -1.0 2.0
   72    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    63  -0.54700  1.0 1.0
   40    44    47    63   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    63    59   0.25450  1.0 1.0
   44    47    63    59  -0.61700 -1.0 2.0
   44    47    63    59  -0.23550  1.0 3.0
   44    47    63    64   0.00000  1.0 1.0
   44    47    63    65   0.00000  1.0 1.0
   45    44    47    50   1.00000 -1.0 2.0
   45    44    47    63   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   -63    59   0.00000  1.0 1.0
   50    47    63    64   0.00000  1.0 1.0
   50    47    63    65   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    47   1.26750  1.0 1.0
   55    59   -63    47  -0.00950 -1.0 2.0
   55    59   -63    47   0.30600  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  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
   60    59    63    47   0.22950  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   61    59    63    47   0.22950  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   63    47    50    51   0.00000  1.0 1.0
   63    47    50    52   0.00000  1.0 1.0
   63    47   -50    55   0.00000  1.0 1.0
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
   36    30    35    37  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    72    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
   63    44    47    50   1.00000 -1.0 2.0
END
