* LIGAND DATABASE FILE (OPLS2005)
*
001      65    67    120    191     352
    1     0 S   NP   _N1_     1    28.75534    95.63065   -20.96409
    2     1 S   H    _HN1     2     1.02779    86.23473   -63.83029
    3     1 S   H    _H1_     3     1.02966    88.48384    44.64702
    4     1 S   H    _H2_     4     1.02837    35.41990   167.56070
    5     1 S   CT   _CA1     5     1.50125   146.15825   170.50802
    6     5 S   HC   _HA1     6     1.09577   105.23522    57.29788
    7     5 S   CO3  _C1_     7     1.53776   112.37617   -62.85302
    8     7 S   O2Z  _O11     8     1.26343   115.03294   -43.99209
    9     7 S   O2Z  _O12     9     1.26238   114.95030   135.21489
   10     5 S   CT   _CB1    10     1.53105   107.40322   175.13885
   11    10 S   HC   HB11    11     1.09813   109.27299   -51.25779
   12    10 S   HC   HB12    12     1.09821   110.44395    65.28012
   13    10 S   CT   _CG1    13     1.52970   112.66711  -172.46925
   14    13 S   HC   HG11    14     1.09520   110.28687   -62.58331
   15    13 S   HC   HG12    15     1.09641   110.13781    56.43233
   16    13 S   C    _CD1    16     1.51825   112.30563   176.43015
   17    16 S   O    _OE1    17     1.22724   123.18467   -13.77219
   18    16 S   N    _N2_    18     1.38544   111.66379   167.49800
   19    18 S   H    _HN2    19     1.01600   118.99483    -0.49889
   20    18 S   CT1  _CA2    20     1.46231   123.60052   179.58788
   21    20 S   HC   _HA2    21     1.09732   109.45187   -12.92106
   22    20 S   C    _C2_    22     1.53479   108.15156  -128.47936
   23    22 S   O    _O2_    23     1.23015   122.30520  -145.94020
   24    20 S   CT   _CB2    32     1.53411   111.20054   109.45634
   25    24 S   HC   HB21    33     1.09402   109.27306    52.15574
   26    24 S   HC   HB22    34     1.09487   110.46048   170.83977
   27    22 S   N    _N3_    24     1.38531   113.35511    41.51408
   28    27 S   H    _HN3    25     1.01524   118.89277    -0.69914
   29    24 S   S    _SG2    35     1.82788   111.54178   -70.16697
   30    27 S   CT   _CA3    26     1.45452   123.47914   175.08634
   31    30 S   HC   HA31    27     1.09522   109.24888    23.97136
   32    30 S   HC   HA32    28     1.09495   107.10999   140.98137
   33    29 S   CT   _C17    36     1.84073   101.64467   157.55909
   34    30 S   CO3  _C3_    29     1.52930   113.14451   -99.51604
   35    34 S   O2Z  _O31    30     1.26401   115.42834   -43.61087
   36    34 S   O2Z  _O32    31     1.26360   114.96860   137.33459
   37    33 S   CM   _C10    37     1.49518   109.15226   169.00136
   38    37 S   CMA  _C11    38     1.34388   112.98308   109.91125
   39    38 S   OM   _O16    39     1.26235   128.35857   178.77188
   40    37 S   CT   _C13    54     1.50276   118.00555   -75.24982
   41    40 S   HC   _H24    55     1.09619   109.60387    68.81693
   42    40 S   HC   _H25    56     1.09550   111.94254  -173.22002
   43    38 S   OS   _O17    40     1.42647   108.97428     0.32264
   44    40 S   CT   _C14    57     1.53134   109.93157   -51.83675
   45    44 S   HC   _H26    58     1.09600   109.60614   171.89652
   46    44 S   HC   _H27    59     1.09780   109.22555   -71.50039
   47    33 S   CD   _C12    41     1.50394   108.56988   -85.15441
   48    44 S   CT   _C15    60     1.53233   112.58765    49.62363
   49    48 S   HC   _H28    61     1.09628   109.56693    68.98869
   50    48 S   HC   _H29    62     1.09604   109.34569  -174.36535
   51    47 S   NI   _N15    42     1.29729   123.33978    71.29048
   52    33 S   CT   _C16    63     1.53329   116.65466    45.08158
   53    52 S   HC   _H30    64     1.09502   111.93716   -52.65935
   54    52 S   HC   _H31    65     1.09989   109.51702  -168.41831
   55    51 S   CA   _C8_    43     1.40393   117.95456  -178.84886
   56    55 S   CA   _C4_    44     1.40100   120.89076    78.00034
   57    56 S   HA   _H20    45     1.08693   120.15387    -1.81962
   58    56 S   CA   _C6_    46     1.39564   120.51724   178.58073
   59    58 S   HA   _H22    47     1.08678   119.26828   179.66312
   60    58 S   CA   _C9_    48     1.39370   119.59725    -0.43251
   61    60 S   Br   BR19    49     1.89120   119.72274  -179.96044
   62    60 S   CA   _C7_    50     1.39432   120.53580    -0.10835
   63    62 S   HA   _H23    51     1.08651   121.06759  -179.77100
   64    55 S   CA   _C5_    52     1.39924   119.84366  -104.40054
   65    64 S   HA   _H21    53     1.08706   120.03809     1.53493
  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  11   5   4   3
  17   2   1   1  15   9   3  11   5   4   4   8   5   4   8   5
   4   3   8   2   1   1   9   8   4   6   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    51    40    48    52    53    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    47    51    55    40    41    42    44    48    49    50    52    53    54  
   35    36  
   36  
    0  
   38    39    43    47    51    40    41    42    44    45    46    48    52    53    54  
   39    43    47    51    40    41    42    44    52  
   43    47    40  
   41    42    44    45    46    48    49    50    52    43    47  
   42    44    45    46    48  
   44    45    46    48  
   47    51    55    52  
   45    46    48    49    50    52    53    54  
   46    48    49    50    52  
   48    49    50    52  
   51    55    56    64    48    52    53    54  
   49    50    52    53    54  
   50    52    53    54  
   52    53    54  
   55    56    57    58    62    64    65    52  
   53    54  
   54  
    0  
   56    57    58    59    60    62    63    64    65  
   57    58    59    60    61    62    64    65  
   58    59    60    64  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65  
   62    63    64  
   63    64    65  
   64    65  
   65  
    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   0.203600   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.8500   0.1400  -0.570000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.438600   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2800   0.1700  -0.468500   1.8540   1.6400   0.005000000   0.000000000
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.078800   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    47   270.000  1.508
   33    52   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    43   440.000  1.360
   43    47   445.000  1.361
   47    51   500.000  1.261
   51    55   400.000  1.385
   55    56   469.000  1.400
   55    64   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   300.000  1.903
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    47    75.00000  114.43000
   29    33    52    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    47    43    85.00000  110.80600
   33    47    51    65.00000  122.10100
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   37    38    39    65.00000  137.10300
   37    38    43    80.00000  120.01400
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    44    70.00000  112.02700
   38    43    47   100.00000  112.60000
   43    38    39    65.00000  121.00000
   43    47    51    85.00000  121.08200
   47    33    37    70.00000  110.51600
   47    51    55    70.00000  113.96500
   51    55    56    70.00000  120.44500
   51    55    64    70.00000  120.44500
   55    56    57    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    64    62    63.00000  120.00000
   55    64    65    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    75.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    75.00000  120.00000
   62    64    65    35.00000  120.00000
   64    55    56    63.00000  120.00000
   64    62    63    35.00000  120.00000
   40    37    38    70.00000  124.00000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    52    58.35000  112.70000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   50    48    49    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    33    47    70.00000  111.76100
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   54    52    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    47    43   0.00000  1.0 1.0
   29    33    47    51   0.00000  1.0 1.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37   -38    43   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    42   0.34800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   33    47    51    55   6.00000 -1.0 2.0
   37    33   -47    43   0.00000  1.0 1.0
   37    33    47    51   0.00000  1.0 1.0
   37    33    52    48   0.34400  1.0 1.0
   37    33    52    48   0.09450 -1.0 2.0
   37    33    52    48   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    54   0.15000  1.0 3.0
   37    38   -43    47   2.00000 -1.0 2.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40   -44    48   0.34400  1.0 1.0
   37    40   -44    48   0.09450 -1.0 2.0
   37    40   -44    48   0.11100  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    43   -47    33   1.50000 -1.0 2.0
   38    43    47    51   1.50000 -1.0 2.0
   39    38    43    47   2.00000 -1.0 2.0
   43    47    51    55   6.00000 -1.0 2.0
   47    33   -37    38  -0.28300  1.0 1.0
   47    33   -37    38   0.26700 -1.0 2.0
   47    33   -37    38  -0.63300  1.0 3.0
   47    33    37    40   0.09700  1.0 1.0
   47    33    37    40   0.15600 -1.0 2.0
   47    33    37    40  -0.50800  1.0 3.0
   47    33    52    48   0.34400  1.0 1.0
   47    33    52    48   0.09450 -1.0 2.0
   47    33    52    48   0.11100  1.0 3.0
   47    33    52    53   0.15000  1.0 3.0
   47    33    52    54   0.15000  1.0 3.0
   47    51    55    56   1.25000 -1.0 2.0
   47    51    55    64   1.25000 -1.0 2.0
   51    55    56    57   3.62500 -1.0 2.0
   51    55    56    58   3.62500 -1.0 2.0
   51    55    64    62   3.62500 -1.0 2.0
   51    55    64    65   3.62500 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    60   3.62500 -1.0 2.0
   56    55    64    62   3.62500 -1.0 2.0
   56    55    64    65   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    62   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60    62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62   -64    55   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   63    62    64    55   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    55    56    57   3.62500 -1.0 2.0
   64    55   -56    58   3.62500 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    43   7.00000 -1.0 2.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    50   0.15000  1.0 3.0
   40    44    48    52   0.56750  1.0 1.0
   40    44    48    52  -0.07550 -1.0 2.0
   40    44    48    52   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    46   0.15000  1.0 3.0
   42    40    44    48   0.15000  1.0 3.0
   44    48   -52    33   0.56750  1.0 1.0
   44    48   -52    33  -0.07550 -1.0 2.0
   44    48   -52    33   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    52   0.15000  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   50    48    52    33   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   52    33    37    38   0.09850  1.0 1.0
   52    33    37    38   0.15250 -1.0 2.0
   52    33    37    38  -0.50650  1.0 3.0
   52    33   -37    40   0.46850  1.0 1.0
   52    33   -37    40   0.08550 -1.0 2.0
   52    33   -37    40   0.09800  1.0 3.0
   52    33    47    43   0.00000  1.0 1.0
   52    33    47    51   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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   39    43    38    37   1.10000 -1.0 2.0
   33    43    47    51  10.50000 -1.0 2.0
   56    64    55    51   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   4.00000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   62    65    64    55   1.10000 -1.0 2.0
END
