* LIGAND DATABASE FILE (OPLS2005)
*
001      71    75    143    231     407
    1     0 S   NP   _N1_     1    29.25093    94.86012   -18.46116
    2     1 S   H    _HN1     2     1.02770    77.25427   -68.96362
    3     1 S   H    _H1_     3     1.02994    96.45917    38.48069
    4     1 S   H    _H2_     4     1.02835    38.03948   147.66457
    5     1 S   CT   _CA1     5     1.50218   145.46940   179.90721
    6     5 S   HC   _HA1     6     1.09574   105.17951    38.53023
    7     5 S   CO3  _C1_     7     1.53774   112.67892   -81.30582
    8     7 S   O2Z  _O11     8     1.26319   114.98605   -32.76267
    9     7 S   O2Z  _O12     9     1.26246   115.06494   146.58020
   10     5 S   CT   _CB1    10     1.53112   107.29139   156.38522
   11    10 S   HC   HB11    11     1.09811   109.07521   -50.79068
   12    10 S   HC   HB12    12     1.09797   110.30607    65.56729
   13    10 S   CT   _CG1    13     1.53030   113.03697  -172.13341
   14    13 S   HC   HG11    14     1.09461   110.15209   -66.06670
   15    13 S   HC   HG12    15     1.09634   110.18592    53.12460
   16    13 S   C    _CD1    16     1.51798   112.36916   173.16873
   17    16 S   O    _OE1    17     1.22745   123.07177   -10.79164
   18    16 S   N    _N2_    18     1.38724   111.89242   170.12986
   19    18 S   H    _HN2    19     1.01596   119.10467    -0.41590
   20    18 S   CT1  _CA2    20     1.46272   123.14293   178.50669
   21    20 S   HC   _HA2    21     1.09756   109.02098   -17.30128
   22    20 S   C    _C2_    22     1.53419   108.27471  -132.72119
   23    22 S   O    _O2_    23     1.23004   122.25183  -145.80070
   24    20 S   CT   _CB2    32     1.53481   112.25018   104.74027
   25    24 S   HC   HB21    33     1.09558   110.46231    59.95757
   26    24 S   HC   HB22    34     1.09551   110.10554   177.73100
   27    22 S   N    _N3_    24     1.38511   113.31419    41.47012
   28    27 S   H    _HN3    25     1.01532   118.94617    -0.38967
   29    24 S   S    _SG2    35     1.82678   111.87813   -63.64983
   30    27 S   CT   _CA3    26     1.45461   123.46385   175.08801
   31    30 S   HC   HA31    27     1.09520   109.26216    23.69376
   32    30 S   HC   HA32    28     1.09494   107.10703   140.72231
   33    29 S   CT   _C16    36     1.83677    99.79425   121.68143
   34    33 S   HC   _H3_    37     1.08653   108.25451   -36.68419
   35    30 S   CO3  _C3_    29     1.52935   113.13037   -99.79108
   36    35 S   O2Z  _O31    30     1.26401   115.42566   -43.27482
   37    35 S   O2Z  _O32    31     1.26357   114.96358   137.65427
   38    33 S   CT   _C10    38     1.52010   112.22911    88.92787
   39    38 S   HC   _H28    39     1.09763   110.42209   -27.81042
   40    38 S   CO4  _C6_    40     1.52634   101.65431    85.39221
   41    40 S   O    _O17    41     1.22093   125.89411  -168.46107
   42    38 S   C3T  _C13    61     1.51718   113.11308  -147.74897
   43    42 S   HC   _H31    62     1.08636   110.19814   114.12814
   44    40 S   OS   _O19    42     1.38719   109.72028    10.44670
   45    69 S   O3T  _O20    63     1.44246   112.98201   144.04088
   46    33 S   CT   _C12    43     1.51429   111.54816  -161.32303
   47    46 S   HC   _H30    44     1.07460   108.07864  -177.33340
   48    46 S   CT   _C9_    45     1.52920   117.66033    67.18170
   49    48 S   HC   _H27    46     1.09773   110.38105     6.80657
   50    48 S   CM   _C4_    47     1.48624   120.36499  -120.29754
   51    50 S   CO4  _C5_    48     1.48100   108.09079  -145.80054
   52    51 S   O    _O16    49     1.21777   126.90755  -166.84385
   53    50 S   CM   _C7_    69     1.33516   130.58379    33.89605
   54    53 S   HC   _H23    70     1.08394   121.44220     0.53302
   55    53 S   HC   _H24    71     1.08535   121.59645  -179.75772
   56    51 S   OS   _O18    50     1.36470   107.27853    11.59282
   57    48 S   CT   _C11    51     1.54510   109.87600   125.07926
   58    57 S   HC   _H29    52     1.09957   110.98206    44.25448
   59    57 S   CT   _C8_    53     1.54830   117.19772   -80.84391
   60    59 S   HC   _H25    54     1.09826   108.05775   173.90654
   61    59 S   HC   _H26    55     1.09718   108.52048   -73.61991
   62    59 S   C3T  _C17    56     1.51926   116.55372    49.95269
   63    62 S   C3T  _C15    57     1.54308   119.44554    55.37679
   64    63 S   HC   _H33    58     1.08893   117.76812     2.54599
   65    62 S   CT   _C18    65     1.50370   115.63024  -110.35682
   66    65 S   HC   _H35    66     1.09421   112.20381   169.98881
   67    65 S   HC   _H36    67     1.09284   111.03151    48.79150
   68    65 S   HC   _H37    68     1.09553   110.05697   -70.03145
   69    63 S   C3T  _C14    59     1.52543   123.65707  -151.53107
   70    69 S   HC   _H32    60     1.08929   113.39047   -81.70653
   71    62 S   O3T  _O21    64     1.44117   115.44716   120.36343
  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  10   5   4   3
  16   8   2   1   1  13   8   9   3  10   4   6   6  10   4  14
   7   9   8   3   4   1   1   6   8   4  11   5   4   9   8   4
   5   3   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    48    49    50    57    69    42    43    45  
   38    39    40    44    46    47    48    42  
   36    37  
   37  
    0  
   39    40    41    44    46    47    48    63    69    70    42    43    45  
   40    41    44    46    69    42    43    45  
   41    44    46    47    48    69    42    43    45  
   44    46    42  
   43    45    71    44    46    62    63    64    69    70  
   45    63    69    70  
   46    47    48    49    50    57  
   71    62    63    64    69    70  
   47    48    49    50    51    56    57    58    59    53  
   48    49    50    57  
   49    50    51    52    56    57    58    59    60    61    62    53    54    55  
   50    51    56    57    58    59    53  
   51    52    56    57    58    59    53    54    55  
   52    56    57    58    59    53    54    55  
   56    57    53  
   54    55    56    57  
   55  
    0  
   57    58    59    60    61    62  
   58    59    60    61    62    63    71    65  
   59    60    61    62  
   60    61    62    63    64    69    71    65    66    67    68  
   61    62    63    71    65  
   62    63    71    65  
   63    64    69    70    71    65    66    67    68  
   64    69    70    71    65    66    67    68  
   69    70    71    65  
   66    67    68    69    71  
   67    68    71  
   68    71  
   71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   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   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   275.000  1.510
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    57   268.000  1.529
   50    51   320.000  1.462
   50    53   549.000  1.340
   51    52   570.000  1.229
   51    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   275.000  1.510
   62    63   260.000  1.509
   62    71   335.000  1.432
   62    65   275.000  1.510
   63    64   340.000  1.088
   63    69   260.000  1.509
   63    71   335.000  1.432
   69    70   340.000  1.088
   69    42   260.000  1.509
   69    45   335.000  1.432
   42    43   340.000  1.088
   42    45   335.000  1.432
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   53    54   340.000  1.080
   53    55   340.000  1.080
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  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    70.00000  112.37300
   33    46    44    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    81.00000  111.40000
   38    42    69    60.00000  120.94000
   38    42    43    40.00000  115.04500
   38    42    45    80.00000  116.47100
   40    38    39    35.00000  109.50000
   40    44    46    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    46    47    35.00000  109.50000
   44    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    70.00000  112.02700
   46    48    57    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    51    65.00000  116.34900
   48    50    53    70.00000  124.00000
   48    57    56    50.00000  109.50000
   48    57    58    37.50000  110.70000
   48    57    59    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    51    52    80.00000  123.72100
   50    51    56    90.00000  111.29400
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    83.00000  116.90000
   56    51    52    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    50.00000  109.50000
   57    48    49    37.50000  110.70000
   57    48    50    70.00000  112.02700
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    70.00000  112.37300
   59    57    58    37.50000  110.70000
   59    62    63    60.00000  120.94000
   59    62    71    80.00000  116.47100
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    45.00000  109.38400
   62    59    61    45.00000  109.38400
   62    63    64    37.50000  117.20000
   62    63    69    60.00000  120.94000
   62    63    71    15.00000   60.43100
   62    71    63    15.00000   59.14900
   62    65    66    45.00000  109.38400
   62    65    67    45.00000  109.38400
   62    65    68    45.00000  109.38400
   63    69    70    37.50000  117.20000
   63    69    42    60.00000  120.94000
   63    69    45    80.00000  116.47100
   69    63    64    37.50000  117.20000
   69    42    43    37.50000  117.20000
   69    42    45    15.00000   60.43100
   69    45    42    15.00000   59.14900
   42    38    39    45.00000  109.38400
   42    38    40    63.00000  111.10000
   42    69    70    37.50000  117.20000
   45    69    70    50.00000  114.27700
   45    69    42    15.00000   60.43100
   45    42    43    50.00000  114.27700
   71    62    63    15.00000   60.43100
   71    63    64    50.00000  114.27700
   71    63    69    80.00000  116.47100
   65    62    63    60.00000  120.94000
   65    62    71    80.00000  116.47100
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    50    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    44   0.36750  1.0 3.0
   33    38    42    69   0.07850  1.0 1.0
   33    38    42    69  -0.03950 -1.0 2.0
   33    38    42    69   0.67350  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    45   0.02550  1.0 1.0
   33    38    42    45  -0.02600 -1.0 2.0
   33    38    42    45   1.20400  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.34400  1.0 1.0
   33    46    48    50   0.09450 -1.0 2.0
   33    46    48    50   0.11100  1.0 3.0
   33    46    48    57   0.56750  1.0 1.0
   33    46    48    57  -0.07550 -1.0 2.0
   33    46    48    57   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    46    44   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    44   0.62750  1.0 1.0
   38    33   -46    44  -0.30950 -1.0 2.0
   38    33   -46    44   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    40   -44    46   1.63150  1.0 1.0
   38    40   -44    46   2.92000 -1.0 2.0
   38    42   -45    69   0.06250  1.0 1.0
   38    42   -45    69  -0.01100 -1.0 2.0
   38    42   -45    69   0.28050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    69   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    45   0.23400  1.0 3.0
   40    38    42    69  -0.95700  1.0 1.0
   40    38    42    69  -0.18200 -1.0 2.0
   40    38    42    69   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    45  -0.09450  1.0 1.0
   40    38    42    45  -1.12950 -1.0 2.0
   40    38    42    45   0.54000  1.0 3.0
   40    44   -46    33  -0.25900  1.0 1.0
   40    44   -46    33  -0.47000 -1.0 2.0
   40    44   -46    33   0.11750  1.0 3.0
   40    44    46    47   0.08050  1.0 3.0
   40    44    46    48  -0.25900  1.0 1.0
   40    44    46    48  -0.47000 -1.0 2.0
   40    44    46    48   0.11750  1.0 3.0
   41    40    44    46   3.00000 -1.0 2.0
   44    46    48    49   0.23400  1.0 3.0
   44    46    48    50   0.61850  1.0 1.0
   44    46    48    50  -0.22750 -1.0 2.0
   44    46    48    50   0.15300  1.0 3.0
   44    46    48    57   0.62750  1.0 1.0
   44    46    48    57  -0.30950 -1.0 2.0
   44    46    48    57   0.27300  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40  -0.95700  1.0 1.0
   46    33   -38    40  -0.18200 -1.0 2.0
   46    33   -38    40   0.29450  1.0 3.0
   46    33    38    42   0.47050  1.0 1.0
   46    33    38    42   0.03900 -1.0 2.0
   46    33    38    42   0.20100  1.0 3.0
   46    48    50    51   0.09700  1.0 1.0
   46    48    50    51   0.15600 -1.0 2.0
   46    48    50    51  -0.50800  1.0 3.0
   46    48    50    53   0.09850  1.0 1.0
   46    48    50    53   0.15250 -1.0 2.0
   46    48    50    53  -0.50650  1.0 3.0
   46    48    57    56   0.62750  1.0 1.0
   46    48    57    56  -0.30950 -1.0 2.0
   46    48    57    56   0.27300  1.0 3.0
   46    48    57    58   0.15000  1.0 3.0
   46    48    57    59   0.56750  1.0 1.0
   46    48    57    59  -0.07550 -1.0 2.0
   46    48    57    59   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    57   0.15000  1.0 3.0
   48    50    51    52  -0.64400  1.0 1.0
   48    50    51    52   0.26850 -1.0 2.0
   48    50   -51    56  -0.15000  1.0 1.0
   48    50   -51    56   0.89550 -1.0 2.0
   48    50   -51    56  -0.06900  1.0 3.0
   48    50    53    54   7.00000 -1.0 2.0
   48    50    53    55   7.00000 -1.0 2.0
   48    57    59    60   0.15000  1.0 3.0
   48    57    59    61   0.15000  1.0 3.0
   48    57    59    62   0.47050  1.0 1.0
   48    57    59    62   0.03900 -1.0 2.0
   48    57    59    62   0.20100  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.00000  1.0 1.0
   49    48    57    56   0.23400  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   50    48   -57    56   0.61850  1.0 1.0
   50    48   -57    56  -0.22750 -1.0 2.0
   50    48   -57    56   0.15300  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.34400  1.0 1.0
   50    48    57    59   0.09450 -1.0 2.0
   50    48    57    59   0.11100  1.0 3.0
   50    51   -56    57   2.00000 -1.0 2.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -57    48  -0.25900  1.0 1.0
   51    56   -57    48  -0.47000 -1.0 2.0
   51    56   -57    48   0.11750  1.0 3.0
   51    56    57    58   0.08050  1.0 3.0
   51    56    57    59  -0.25900  1.0 1.0
   51    56    57    59  -0.47000 -1.0 2.0
   51    56    57    59   0.11750  1.0 3.0
   52    51    56    57   3.00000 -1.0 2.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.23400  1.0 3.0
   56    57    59    62  -0.26800  1.0 1.0
   56    57    59    62   0.69150 -1.0 2.0
   56    57    59    62  -0.48750  1.0 3.0
   57    48   -50    51   0.09700  1.0 1.0
   57    48   -50    51   0.15600 -1.0 2.0
   57    48   -50    51  -0.50800  1.0 3.0
   57    48    50    53   0.09850  1.0 1.0
   57    48    50    53   0.15250 -1.0 2.0
   57    48    50    53  -0.50650  1.0 3.0
   57    59    62    63   0.07850  1.0 1.0
   57    59    62    63  -0.03950 -1.0 2.0
   57    59    62    63   0.67350  1.0 3.0
   57    59    62    71   0.02550  1.0 1.0
   57    59    62    71  -0.02600 -1.0 2.0
   57    59    62    71   1.20400  1.0 3.0
   57    59    62    65   0.56750  1.0 1.0
   57    59    62    65  -0.07550 -1.0 2.0
   57    59    62    65   0.20000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   59    62    63    64   0.15000  1.0 3.0
   59    62    63    69   0.07850  1.0 1.0
   59    62    63    69  -0.03950 -1.0 2.0
   59    62    63    69   0.67350  1.0 3.0
   59    62   -63    71   0.02550  1.0 1.0
   59    62   -63    71  -0.02600 -1.0 2.0
   59    62   -63    71   1.20400  1.0 3.0
   59    62   -71    63   0.06250  1.0 1.0
   59    62   -71    63  -0.01100 -1.0 2.0
   59    62   -71    63   0.28050  1.0 3.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.15000  1.0 3.0
   59    62    65    68   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    71   0.23400  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    71   0.23400  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    42   0.07850  1.0 1.0
   62    63    69    42  -0.03950 -1.0 2.0
   62    63    69    42   0.67350  1.0 3.0
   62    63    69    45   0.02550  1.0 1.0
   62    63    69    45  -0.02600 -1.0 2.0
   62    63    69    45   1.20400  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    69    42    38   0.07850  1.0 1.0
   63    69    42    38  -0.03950 -1.0 2.0
   63    69    42    38   0.67350  1.0 3.0
   63    69    42    43   0.15000  1.0 3.0
   63    69   -42    45   0.02550  1.0 1.0
   63    69   -42    45  -0.02600 -1.0 2.0
   63    69   -42    45   1.20400  1.0 3.0
   63    69   -45    42   0.06250  1.0 1.0
   63    69   -45    42  -0.01100 -1.0 2.0
   63    69   -45    42   0.28050  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    42   0.15000  1.0 3.0
   64    63    69    45   0.23400  1.0 3.0
   64    63   -71    62   0.36800  1.0 3.0
   69    63   -71    62   0.06250  1.0 1.0
   69    63   -71    62  -0.01100 -1.0 2.0
   69    63   -71    62   0.28050  1.0 3.0
   70    69    42    38   0.15000  1.0 3.0
   70    69    42    43   0.15000  1.0 3.0
   70    69   -42    45   0.23400  1.0 3.0
   70    69   -45    42   0.36800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.36750  1.0 3.0
   43    42   -45    69   0.36800  1.0 3.0
   45    69   -42    38   0.02550  1.0 1.0
   45    69   -42    38  -0.02600 -1.0 2.0
   45    69   -42    38   1.20400  1.0 3.0
   45    69   -42    43   0.23400  1.0 3.0
   71    62   -63    64   0.23400  1.0 3.0
   71    62   -63    69   0.02550  1.0 1.0
   71    62   -63    69  -0.02600 -1.0 2.0
   71    62   -63    69   1.20400  1.0 3.0
   71    62    65    66   0.23400  1.0 3.0
   71    62    65    67   0.23400  1.0 3.0
   71    62    65    68   0.23400  1.0 3.0
   71    63    69    70   0.23400  1.0 3.0
   71    63    69    42   0.02550  1.0 1.0
   71    63    69    42  -0.02600 -1.0 2.0
   71    63    69    42   1.20400  1.0 3.0
   71    63    69    45   1.11900  1.0 1.0
   71    63    69    45  -1.16350 -1.0 2.0
   71    63    69    45  -0.34150  1.0 3.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.07850  1.0 1.0
   65    62    63    69  -0.03950 -1.0 2.0
   65    62    63    69   0.67350  1.0 3.0
   65    62   -63    71   0.02550  1.0 1.0
   65    62   -63    71  -0.02600 -1.0 2.0
   65    62   -63    71   1.20400  1.0 3.0
   65    62   -71    63   0.06250  1.0 1.0
   65    62   -71    63  -0.01100 -1.0 2.0
   65    62   -71    63   0.28050  1.0 3.0
   53    50    51    52   1.00000 -1.0 2.0
   53    50    51    56  -0.56150  1.0 1.0
   53    50    51    56   2.19150 -1.0 2.0
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
   38    44    40    41  10.50000 -1.0 2.0
   48    51    50    53   1.10000 -1.0 2.0
   50    56    51    52  10.50000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
