* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    115    175     341
    1     0 S   NP   _N1_     1    28.83678    94.07453   -21.98006
    2     1 S   H    _HN1     2     1.02780    96.78440   -79.98250
    3     1 S   H    _H1_     3     1.02959    88.11780    28.25424
    4     1 S   H    _H2_     4     1.02835    27.04721   163.43112
    5     1 S   CT   _CA1     5     1.50122   136.99059   146.67247
    6     5 S   HC   _HA1     6     1.09575   105.22812    67.21795
    7     5 S   CO3  _C1_     7     1.53777   112.40598   -52.99302
    8     7 S   O2Z  _O11     8     1.26359   115.00164   -43.58049
    9     7 S   O2Z  _O12     9     1.26240   114.92061   135.58938
   10     5 S   CT   _CB1    10     1.53083   107.42488  -174.87210
   11    10 S   HC   HB11    11     1.09828   109.30956   -50.79369
   12    10 S   HC   HB12    12     1.09822   110.42682    65.73812
   13    10 S   CT   _CG1    13     1.53026   112.69833  -171.89673
   14    13 S   HC   HG11    14     1.09591   110.46926   -64.30032
   15    13 S   HC   HG12    15     1.09653   109.98079    54.96294
   16    13 S   C    _CD1    16     1.51794   112.24785   175.29197
   17    16 S   O    _OE1    17     1.22709   123.18412    -0.90978
   18    16 S   N    _N2_    18     1.38638   111.70011   179.19789
   19    18 S   H    _HN2    19     1.01591   119.04007     0.38257
   20    18 S   CT1  _CA2    20     1.46172   123.32043   179.62258
   21    20 S   HC   _HA2    21     1.09679   109.15647   -12.09853
   22    20 S   C    _C2_    22     1.53449   108.53958  -127.36098
   23    22 S   O    _O2_    23     1.23019   122.16326  -147.39880
   24    20 S   CT   _CB2    32     1.53529   111.71279   110.20304
   25    24 S   HC   HB21    33     1.09646   109.73004    57.02585
   26    24 S   HC   HB22    34     1.09591   111.09312   174.65779
   27    22 S   N    _N3_    24     1.38484   113.41856    40.07854
   28    27 S   H    _HN3    25     1.01528   118.89584    -0.86547
   29    24 S   S    _SG2    35     1.82507   113.43593   -62.66003
   30    27 S   CT   _CA3    26     1.45461   123.62270   175.11705
   31    30 S   HC   HA31    27     1.09514   109.45294    19.83346
   32    30 S   HC   HA32    28     1.09506   107.06471   136.87602
   33    29 S   CM   _C5_    36     1.73010   100.47041   -72.73877
   34    33 S   HC   _H3_    37     1.08528   118.27745   -23.88783
   35    30 S   CO3  _C3_    29     1.52919   112.97907  -103.79302
   36    35 S   O2Z  _O31    30     1.26417   115.36002   -45.14100
   37    35 S   O2Z  _O32    31     1.26350   115.00333   135.76484
   38    33 S   CM   _C4_    38     1.34047   121.58875   155.67950
   39    38 S   HC   _H15    39     1.08874   119.63860     0.12033
   40    38 S   CT   _C8_    40     1.51577   123.65113   179.73607
   41    40 S   HC   _H21    41     1.10060   108.11635    -8.83493
   42    40 S   CT   _C6_    42     1.54147   108.55420  -123.75651
   43    42 S   HC   _H17    43     1.09757   110.53526   -59.60219
   44    42 S   HC   _H18    44     1.09900   108.93740    56.59578
   45    42 S   CT   _C9_    45     1.53180   111.42211   177.05011
   46    45 S   Cl   CL12    46     1.79572   109.10370  -175.40083
   47    45 S   HC   _H22    47     1.09728   107.75838   -62.27263
   48    45 S   CT   _C10    48     1.54864   113.23310    57.67314
   49    48 S   Cl   CL13    49     1.80456   111.45042    69.09122
   50    48 S   CT   _C7_    50     1.54892   109.44988   -52.13956
   51    50 S   HC   _H19    51     1.09919   110.06981   174.73299
   52    50 S   HC   _H20    52     1.10058   106.72580   -71.78489
   53    48 S   CT   _C12    59     1.53928   111.18643  -172.13820
   54    53 S   HC   _H23    60     1.09527   112.25462   -64.12299
   55    53 S   HC   _H24    61     1.09649   111.19155   175.64288
   56    53 S   HC   _H25    62     1.09599   110.99107    56.21536
   57    40 S   CT   _C11    53     1.55303   114.21201   111.31045
   58    57 S   Br   BR14    54     2.01477   107.50844   -70.98643
   59    57 S   CT   _C13    55     1.53559   114.49419    45.16572
   60    59 S   HC   _H26    56     1.09652   112.04921   -68.15787
   61    59 S   HC   _H27    57     1.09622   111.26041   172.63750
   62    59 S   HC   _H28    58     1.09274   112.14941    51.67120
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   7   3   2   1   1  11   4  17   8  12   6   5  12   5   4  11
   8  12   5   4   4   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    57  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    50    57    58    59  
   40    41    42    57  
   41    42    43    44    45    46    47    48    50    51    52    57    58    59    60    61    62  
   42    43    44    45    50    57    58    59  
   43    44    45    46    47    48    49    50    57    58    59    53  
   44    45    46    47    48    57  
   45    46    47    48    57  
   46    47    48    49    50    51    52    57    53    54    55    56  
   47    48    49    50    53  
   48    49    50    53  
   49    50    51    52    57    58    59    53    54    55    56  
   50    51    52    57    53    54    55    56  
   51    52    57    58    59    60    61    62    53    54    55    56  
   52    57    58    59    53  
   57    58    59    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60    61    62  
   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  -0.175000   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   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   34   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.050500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   50   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.127600   1.9750   1.7500   0.005000000  -0.741685710
   58   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   59   3.5000   0.0660  -0.069500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    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   240.000  1.763
   33    34   340.000  1.080
   33    38   549.000  1.340
   38    39   340.000  1.080
   38    40   317.000  1.510
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    57   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   245.000  1.781
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   245.000  1.781
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   245.000  1.990
   57    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    40.00000  115.49800
   29    33    38    65.00000  122.11800
   33    38    39    35.00000  120.00000
   33    38    40    70.00000  124.00000
   38    33    34    35.00000  120.00000
   38    40    41    35.00000  109.50000
   38    40    42    70.00000  112.02700
   38    40    57    70.00000  112.02700
   40    38    39    35.00000  117.00000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    45    58.35000  112.70000
   40    57    50    58.35000  112.70000
   40    57    58    70.00000  109.17700
   40    57    59    58.35000  112.70000
   42    40    41    37.50000  110.70000
   42    45    46    69.00000  109.80000
   42    45    47    37.50000  110.70000
   42    45    48    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    48    49    69.00000  109.80000
   45    48    50    58.35000  112.70000
   45    48    53    58.35000  112.70000
   47    45    46    51.00000  107.60000
   48    45    46    69.00000  109.80000
   48    45    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    57    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   50    48    49    69.00000  109.80000
   50    57    58    70.00000  109.17700
   50    57    59    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    40    41    37.50000  110.70000
   57    40    42    58.35000  112.70000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    37.50000  110.70000
   59    57    58    70.00000  109.17700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   53    48    49    69.00000  109.80000
   53    48    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.09850  1.0 1.0
   33    38    40    42   0.15250 -1.0 2.0
   33    38    40    42  -0.50650  1.0 3.0
   33    38    40    57   0.09850  1.0 1.0
   33    38    40    57   0.15250 -1.0 2.0
   33    38    40    57  -0.50650  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40    42    44   0.15000  1.0 3.0
   38    40    42    45   0.34400  1.0 1.0
   38    40    42    45   0.09450 -1.0 2.0
   38    40    42    45   0.11100  1.0 3.0
   38    40    57    50   0.34400  1.0 1.0
   38    40    57    50   0.09450 -1.0 2.0
   38    40    57    50   0.11100  1.0 3.0
   38    40    57    58   0.56750  1.0 1.0
   38    40    57    58  -0.07550 -1.0 2.0
   38    40    57    58   0.20000  1.0 3.0
   38    40    57    59   0.34400  1.0 1.0
   38    40    57    59   0.09450 -1.0 2.0
   38    40    57    59   0.11100  1.0 3.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    57   0.00000  1.0 1.0
   40    42    45    46   0.35600  1.0 1.0
   40    42    45    46  -0.14650 -1.0 2.0
   40    42    45    46   0.33350  1.0 3.0
   40    42    45    47   0.15000  1.0 3.0
   40    42    45    48   0.56750  1.0 1.0
   40    42    45    48  -0.07550 -1.0 2.0
   40    42    45    48   0.20000  1.0 3.0
   40    57    59    60   0.15000  1.0 3.0
   40    57    59    61   0.15000  1.0 3.0
   40    57    59    62   0.15000  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40    42    44   0.15000  1.0 3.0
   41    40    42    45   0.15000  1.0 3.0
   41    40    57    50   0.15000  1.0 3.0
   41    40    57    58   0.39750  1.0 3.0
   41    40    57    59   0.15000  1.0 3.0
   42    40    57    50   0.56750  1.0 1.0
   42    40    57    50  -0.07550 -1.0 2.0
   42    40    57    50   0.20000  1.0 3.0
   42    40    57    58   0.74700  1.0 1.0
   42    40    57    58  -0.19600 -1.0 2.0
   42    40    57    58   0.19200  1.0 3.0
   42    40    57    59   0.56750  1.0 1.0
   42    40    57    59  -0.07550 -1.0 2.0
   42    40    57    59   0.20000  1.0 3.0
   42    45    48    49   0.35600  1.0 1.0
   42    45    48    49  -0.14650 -1.0 2.0
   42    45    48    49   0.33350  1.0 3.0
   42    45   -48    50   0.56750  1.0 1.0
   42    45   -48    50  -0.07550 -1.0 2.0
   42    45   -48    50   0.20000  1.0 3.0
   42    45    48    53   0.56750  1.0 1.0
   42    45    48    53  -0.07550 -1.0 2.0
   42    45    48    53   0.20000  1.0 3.0
   43    42    45    46   0.27000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.15000  1.0 3.0
   44    42    45    46   0.27000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.15000  1.0 3.0
   45    48    50    51   0.15000  1.0 3.0
   45    48    50    52   0.15000  1.0 3.0
   45    48    50    57   0.56750  1.0 1.0
   45    48    50    57  -0.07550 -1.0 2.0
   45    48    50    57   0.20000  1.0 3.0
   45    48    53    54   0.15000  1.0 3.0
   45    48    53    55   0.15000  1.0 3.0
   45    48    53    56   0.15000  1.0 3.0
   46    45    48    49   0.22500  1.0 1.0
   46    45    48    50   0.35600  1.0 1.0
   46    45    48    50  -0.14650 -1.0 2.0
   46    45    48    50   0.33350  1.0 3.0
   46    45    48    53   0.35600  1.0 1.0
   46    45    48    53  -0.14650 -1.0 2.0
   46    45    48    53   0.33350  1.0 3.0
   47    45    48    49   0.27000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    53   0.15000  1.0 3.0
   48    50   -57    40   0.56750  1.0 1.0
   48    50   -57    40  -0.07550 -1.0 2.0
   48    50   -57    40   0.20000  1.0 3.0
   48    50    57    58   0.74700  1.0 1.0
   48    50    57    58  -0.19600 -1.0 2.0
   48    50    57    58   0.19200  1.0 3.0
   48    50    57    59   0.56750  1.0 1.0
   48    50    57    59  -0.07550 -1.0 2.0
   48    50    57    59   0.20000  1.0 3.0
   49    48    50    51   0.27000  1.0 3.0
   49    48    50    52   0.27000  1.0 3.0
   49    48    50    57   0.35600  1.0 1.0
   49    48    50    57  -0.14650 -1.0 2.0
   49    48    50    57   0.33350  1.0 3.0
   49    48    53    54   0.27000  1.0 3.0
   49    48    53    55   0.27000  1.0 3.0
   49    48    53    56   0.27000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    56   0.15000  1.0 3.0
   50    57    59    60   0.15000  1.0 3.0
   50    57    59    61   0.15000  1.0 3.0
   50    57    59    62   0.15000  1.0 3.0
   51    50    57    40   0.15000  1.0 3.0
   51    50    57    58   0.39750  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   52    50    57    40   0.15000  1.0 3.0
   52    50    57    58   0.39750  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   57    40    42    43   0.15000  1.0 3.0
   57    40    42    44   0.15000  1.0 3.0
   57    40   -42    45   0.56750  1.0 1.0
   57    40   -42    45  -0.07550 -1.0 2.0
   57    40   -42    45   0.20000  1.0 3.0
   58    57    59    60   0.39750  1.0 3.0
   58    57    59    61   0.39750  1.0 3.0
   58    57    59    62   0.39750  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    57   0.56750  1.0 1.0
   53    48    50    57  -0.07550 -1.0 2.0
   53    48    50    57   0.20000  1.0 3.0
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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
END
