* LIGAND DATABASE FILE (OPLS2005)
*
001      62    65    115    191     339
    1     0 S   NP   _N1_     1    28.94953    94.40001   -20.17381
    2     1 S   H    _HN1     2     1.02773    85.37276   -76.67677
    3     1 S   H    _H1_     3     1.02961    93.85054    31.45459
    4     1 S   H    _H2_     4     1.02831    32.03279   147.94680
    5     1 S   CT   _CA1     5     1.50169   142.15013   162.30089
    6     5 S   HC   _HA1     6     1.09573   105.19555    51.11549
    7     5 S   CO3  _C1_     7     1.53788   112.33673   -69.01106
    8     7 S   O2Z  _O11     8     1.26363   114.98231   -42.18782
    9     7 S   O2Z  _O12     9     1.26227   114.92571   136.70801
   10     5 S   CT   _CB1    10     1.53057   107.37238   169.01387
   11    10 S   HC   HB11    11     1.09821   109.29238   -49.85748
   12    10 S   HC   HB12    12     1.09829   110.40690    66.68544
   13    10 S   CT   _CG1    13     1.53010   112.75913  -170.99793
   14    13 S   HC   HG11    14     1.09568   110.32381   -63.38278
   15    13 S   HC   HG12    15     1.09635   110.14086    55.82396
   16    13 S   C    _CD1    16     1.51831   112.14786   175.93350
   17    16 S   O    _OE1    17     1.22749   123.17624    -8.74761
   18    16 S   N    _N2_    18     1.38597   111.74568   171.84758
   19    18 S   H    _HN2    19     1.01600   119.04623     0.47765
   20    18 S   CT1  _CA2    20     1.46184   123.37355  -177.39196
   21    20 S   HC   _HA2    21     1.09735   109.22196   -14.00992
   22    20 S   C    _C2_    22     1.53419   108.61278  -129.69378
   23    22 S   O    _O2_    23     1.23026   122.20779  -148.28258
   24    20 S   CT   _CB2    32     1.53500   111.53811   107.89137
   25    24 S   HC   HB21    33     1.09520   110.16813    58.50738
   26    24 S   HC   HB22    34     1.09538   110.34894   176.32422
   27    22 S   N    _N3_    24     1.38505   113.41714    39.27243
   28    27 S   H    _HN3    25     1.01531   118.83264    -0.94812
   29    24 S   S    _SG2    35     1.82922   111.83089   -64.95132
   30    27 S   CT   _CA3    26     1.45440   123.54022   175.04117
   31    30 S   HC   HA31    27     1.09518   109.32173    22.74056
   32    30 S   HC   HA32    28     1.09498   107.10593   139.75825
   33    29 S   CT   _C18    36     1.86568   100.11827   134.05665
   34    33 S   HC   _H3_    37     1.09945   105.84906    48.15282
   35    30 S   CO3  _C3_    29     1.52914   113.04443  -100.79292
   36    35 S   O2Z  _O31    30     1.26407   115.38033   -45.05833
   37    35 S   O2Z  _O32    31     1.26350   114.99961   135.86263
   38    33 S   CA   _C13    38     1.52136   107.15392   163.88115
   39    38 S   CA   _C8_    39     1.39993   120.73610   -82.32380
   40    39 S   HA   _H23    40     1.08721   120.27875    -3.47840
   41    38 S   CR3  _C12    52     1.40403   120.12540    94.09310
   42    39 S   CA   _C6_    41     1.39664   120.53152   175.66636
   43    42 S   HA   _H21    42     1.08806   118.66888  -179.88809
   44    41 S   CM   _C17    53     1.48209   121.32199     6.36975
   45    42 S   CA   _C9_    43     1.40363   120.87036    -1.03835
   46    44 S   CM   _C15    54     1.45529   119.60049  -173.98992
   47    46 S   HC   _H25    55     1.08560   119.04580   176.61141
   48    44 S   CM   _C16    58     1.34639   118.87214     9.96510
   49    48 S   HC   _H26    59     1.09019   119.37296   177.98394
   50    45 S   CA   _C5_    44     1.40378   121.50314  -178.68627
   51    50 S   HA   _H20    45     1.08803   120.46634    -0.51662
   52    61 S   CM   _C14    56     1.47483   120.11583  -179.08850
   53    52 S   HC   _H24    57     1.08448   118.75950     1.47406
   54    33 S   CT   _C19    60     1.56870   110.83303   -72.05653
   55    54 S   OM   _O17    61     1.32583   108.35606   156.23379
   56    54 S   HC   _H28    62     1.09738   107.49697    28.17243
   57    50 S   CA   _C4_    46     1.39554   120.76397   179.21292
   58    57 S   HA   _H19    47     1.08646   119.84948  -179.84298
   59    57 S   CA   _C7_    48     1.39336   120.25500    -0.16786
   60    59 S   HA   _H22    49     1.08714   119.12022  -179.53061
   61    59 S   CA   _C11    50     1.39864   120.07071     0.37325
   62    45 S   CR3  _C10    51     1.41313   119.27597     1.02067
  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   9   5   4   3
  13   7   2   1   1  14   9   4  13   7   3  12   8   9   4   6
   3   7   4   6   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    48    54    55    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    62    41    44    48    49    54    55    56  
   38    39    41    48    54    55    56  
   36    37  
   37  
    0  
   39    40    42    43    45    61    62    41    44    46    48    54    55    56  
   40    42    43    45    50    62    41    44    54  
   42    43    45    41  
   44    46    47    52    48    49    54    42    45    50    59    61    62  
   43    45    50    51    57    61    62  
   45    50    62  
   46    47    52    53    48    49    54    55    56    45    61    62  
   50    51    57    58    59    61    62    52  
   47    52    53    48    49    54    59    61    62  
   52    53    48    61  
   49    54    55    56    52    62  
   54    55    56  
   51    57    58    59    60    61    62  
   57    58    59    62  
   53    57    59    60    61    62  
   59    61    62  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60    61  
   60    61    62  
   61    62  
   62  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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    54   268.000  1.529
   38    39   469.000  1.400
   38    41   490.000  1.398
   39    40   367.000  1.080
   39    42   469.000  1.400
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    50   469.000  1.400
   45    62   490.000  1.398
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   490.000  1.398
   61    52   320.000  1.460
   62    41   490.000  1.398
   41    44   320.000  1.460
   44    46   380.000  1.444
   44    48   549.000  1.340
   46    47   340.000  1.080
   46    52   549.000  1.340
   52    53   340.000  1.080
   48    49   340.000  1.080
   48    54   317.000  1.510
   54    55   570.000  1.307
   54    56   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    80.00000  109.48900
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    41    80.00000  105.07000
   33    54    48    70.00000  112.02700
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    42    63.00000  120.00000
   38    41    62    60.00000  130.80000
   38    41    44    60.00000  120.93500
   39    42    43    35.00000  120.00000
   39    42    45    63.00000  120.00000
   42    39    40    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    45    62    70.00000  112.88000
   45    42    43    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    57    63.00000  120.00000
   45    62    61    60.00000  130.80000
   45    62    41    60.00000  130.80000
   50    57    58    35.00000  120.00000
   50    57    59    63.00000  120.00000
   57    50    51    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    70.00000  112.88000
   59    61    52    60.00000  120.93500
   61    59    60    35.00000  120.00000
   61    62    41    60.00000  130.80000
   61    52    46    60.00000  123.20500
   61    52    53    40.00000  117.26300
   62    45    50    70.00000  112.88000
   62    41    44    60.00000  120.93500
   41    38    39    70.00000  112.88000
   41    44    46    60.00000  123.20500
   41    44    48    60.00000  123.20500
   44    46    47    35.00000  120.00000
   44    46    52    70.00000  123.01800
   44    48    49    35.00000  120.00000
   44    48    54    70.00000  124.00000
   46    52    53    35.00000  120.00000
   52    61    62    60.00000  120.93500
   52    46    47    35.00000  120.00000
   48    44    46    70.00000  123.01800
   48    54    55    85.00000  110.90400
   48    54    56    35.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.17500
   54    48    49    35.00000  117.00000
   56    54    55    45.00000  125.66300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   33    38    39    40   3.62500 -1.0 2.0
   33    38    39    42   3.62500 -1.0 2.0
   33    38    41    62   3.62500 -1.0 2.0
   33    38    41    44   3.62500 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.23400  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   38    33    54    48   0.21200  1.0 1.0
   38    33    54    48   0.16900 -1.0 2.0
   38    33    54    48  -1.15100  1.0 3.0
   38    33    54    55  -0.64350  1.0 1.0
   38    33    54    55  -0.04200 -1.0 2.0
   38    33    54    55   0.19800  1.0 3.0
   38    33    54    56   0.43200  1.0 3.0
   38    39    42    43   3.62500 -1.0 2.0
   38    39    42    45   3.62500 -1.0 2.0
   38    41    44    46   0.15800  1.0 1.0
   38    41    44    46   1.85350 -1.0 2.0
   38    41    44    46  -0.48700  1.0 3.0
   38    41   -44    48   0.15800  1.0 1.0
   38    41   -44    48   1.85350 -1.0 2.0
   38    41   -44    48  -0.48700  1.0 3.0
   39    38    41    62   3.62500 -1.0 2.0
   39    38    41    44   3.62500 -1.0 2.0
   39    42    45    50   3.62500 -1.0 2.0
   39    42   -45    62   3.62500 -1.0 2.0
   40    39    42    43   3.62500 -1.0 2.0
   40    39    42    45   3.62500 -1.0 2.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    57   3.62500 -1.0 2.0
   42    45    62    61   3.62500 -1.0 2.0
   42    45    62    41   3.62500 -1.0 2.0
   43    42    45    50   3.62500 -1.0 2.0
   43    42    45    62   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    59   3.62500 -1.0 2.0
   45    62   -41    38   3.62500 -1.0 2.0
   45    62    41    44   3.62500 -1.0 2.0
   50    45    62    61   3.62500 -1.0 2.0
   50    45    62    41   3.62500 -1.0 2.0
   50    57    59    60   3.62500 -1.0 2.0
   50    57   -59    61   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   51    50    57    59   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59    61    52   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61   -62    45   3.62500 -1.0 2.0
   59    61    62    41   3.62500 -1.0 2.0
   59    61    52    46   0.15800  1.0 1.0
   59    61    52    46   1.85350 -1.0 2.0
   59    61    52    46  -0.48700  1.0 3.0
   59    61    52    53   0.56550  1.0 3.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    52   3.62500 -1.0 2.0
   61    62    41    38   3.62500 -1.0 2.0
   61    62    41    44   3.62500 -1.0 2.0
   62    45    50    51   3.62500 -1.0 2.0
   62    45   -50    57   3.62500 -1.0 2.0
   62    61    52    46   0.15800  1.0 1.0
   62    61    52    46   1.85350 -1.0 2.0
   62    61    52    46  -0.48700  1.0 3.0
   62    61    52    53   0.56550  1.0 3.0
   62    41   -44    46   0.15800  1.0 1.0
   62    41   -44    46   1.85350 -1.0 2.0
   62    41   -44    46  -0.48700  1.0 3.0
   62    41    44    48   0.15800  1.0 1.0
   62    41    44    48   1.85350 -1.0 2.0
   62    41    44    48  -0.48700  1.0 3.0
   41    38    39    40   3.62500 -1.0 2.0
   41    38   -39    42   3.62500 -1.0 2.0
   41    44    46    47   0.00000  1.0 1.0
   41    44    46    52  -0.18600  1.0 3.0
   41    44    48    49   7.00000 -1.0 2.0
   41    44    48    54   7.00000 -1.0 2.0
   44    46   -52    61   7.00000 -1.0 2.0
   44    46    52    53   7.00000 -1.0 2.0
   44    48   -54    33   0.09850  1.0 1.0
   44    48   -54    33   0.15250 -1.0 2.0
   44    48   -54    33  -0.50650  1.0 3.0
   44    48    54    55   0.39000  1.0 1.0
   44    48    54    55  -0.05800 -1.0 2.0
   44    48    54    55  -0.55150  1.0 3.0
   44    48    54    56   0.00000  1.0 1.0
   46    44    48    49   7.00000 -1.0 2.0
   46    44    48    54   7.00000 -1.0 2.0
   47    46    52    61   7.00000 -1.0 2.0
   47    46    52    53   7.00000 -1.0 2.0
   52    61    62    45   3.62500 -1.0 2.0
   52    61   -62    41   3.62500 -1.0 2.0
   48    44    46    47  -0.18600  1.0 3.0
   48    44    46    52   0.28850  1.0 1.0
   48    44    46    52   2.61350 -1.0 2.0
   48    44    46    52   0.78400  1.0 3.0
   49    48    54    33   0.00000  1.0 1.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.33100  1.0 3.0
   54    33    38    39   0.04150 -1.0 2.0
   54    33   -38    41   0.04150 -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
   39    41    38    33   4.00000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   45    43    42    39   1.10000 -1.0 2.0
   50    62    45    42   4.00000 -1.0 2.0
   57    51    50    45   1.10000 -1.0 2.0
   59    58    57    50   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    52    61    59   4.00000 -1.0 2.0
   61    41    62    45   4.00000 -1.0 2.0
   62    44    41    38   4.00000 -1.0 2.0
   41    46    44    48   1.10000 -1.0 2.0
   44    47    46    52   1.10000 -1.0 2.0
   61    53    52    46   1.10000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
END
