* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    105    159     308
    1     0 S   NP   _N1_     1    28.73244    95.90873   -23.58668
    2     1 S   H    _HN1     2     1.02950    74.36782    11.95601
    3     1 S   H    _H1_     3     1.02829    35.46583   168.63301
    4     1 S   H    _H2_     4     1.02784   106.17216   -93.08143
    5     1 S   CT   _CA1     5     1.50114   136.62602   115.30923
    6     5 S   HC   _HA1     6     1.09573   105.20139    89.06614
    7     5 S   CO3  _C1_     7     1.53789   112.44403   -31.17334
    8     7 S   O2Z  _O11     8     1.26372   115.00276   -42.80145
    9     7 S   O2Z  _O12     9     1.26238   114.94631   136.32777
   10     5 S   CT   _CB1    10     1.53082   107.42338  -152.95275
   11    10 S   HC   HB11    11     1.09832   109.37761   -49.78959
   12    10 S   HC   HB12    12     1.09813   110.44387    66.81710
   13    10 S   CT   _CG1    13     1.52988   112.60509  -170.77508
   14    13 S   HC   HG11    14     1.09586   110.61598   -65.34850
   15    13 S   HC   HG12    15     1.09669   109.80660    53.88193
   16    13 S   C    _CD1    16     1.51801   112.24679   174.33137
   17    16 S   O    _OE1    17     1.22727   123.30719     6.03858
   18    16 S   N    _N2_    18     1.38643   111.65170  -174.08785
   19    18 S   H    _HN2    19     1.01591   118.91659     1.76957
   20    18 S   CT1  _CA2    20     1.46196   123.41201   177.79522
   21    20 S   HC   _HA2    21     1.09732   109.40539     1.53110
   22    20 S   C    _C2_    22     1.53514   108.60468  -113.99664
   23    22 S   O    _O2_    23     1.23056   122.27453  -147.90392
   24    20 S   CT   _CB2    32     1.53225   111.47182   123.57082
   25    24 S   HC   HB21    33     1.09622   110.07973    56.17638
   26    24 S   HC   HB22    34     1.09542   110.40963   174.80952
   27    22 S   N    _N3_    24     1.38326   113.68582    39.54142
   28    27 S   H    _HN3    25     1.01592   119.57758    -3.38240
   29    24 S   S    _SG2    35     1.82878   111.50106   -65.13712
   30    27 S   CT   _CA3    26     1.45284   123.19801   177.10998
   31    30 S   HC   HA31    27     1.09549   107.51452   -64.46185
   32    30 S   HC   HA32    28     1.09557   107.97917    51.97306
   33    29 S   CA   _C9_    36     1.79915    98.68543   175.08973
   34    30 S   CO3  _C3_    29     1.52955   114.08622   173.96818
   35    34 S   O2Z  _O31    30     1.26376   116.06423    -0.62526
   36    34 S   O2Z  _O32    31     1.26428   114.41121   179.43455
   37    33 S   CA   _C10    37     1.40897   120.88681   -89.83072
   38    37 S   Cl   CL16    38     1.73461   122.50103     0.23407
   39    37 S   CA   _C6_    39     1.40055   120.86897  -179.81233
   40    39 S   HA   _H19    40     1.08848   119.79231  -179.73312
   41    39 S   CA   _C8_    41     1.39684   120.24148    -0.22029
   42    41 S   CA   _C7_    42     1.39638   119.70003     1.20138
   43    42 S   HA   _H20    43     1.08756   120.53111   177.49603
   44    41 S   C    _C12    46     1.48504   118.52560   179.44047
   45    44 S   O    _O14    47     1.22674   118.82645   -32.03061
   46    33 S   CA   _C11    44     1.40902   121.00755    91.17945
   47    46 S   Cl   CL17    45     1.73461   122.45951     0.11191
   48    44 S   N    _N13    48     1.38539   115.51794   146.93042
   49    48 S   H    _H27    49     1.01488   118.54032    -3.89737
   50    48 S   CT   _C15    50     1.47199   125.01060   179.47214
   51    50 S   CZ   _C5_    51     1.48370   107.78929  -178.84107
   52    50 S   CT   _C13    54     1.53636   110.83996    62.53166
   53    52 S   HC   _H21    55     1.09488   111.94586   -64.66788
   54    52 S   HC   _H22    56     1.09690   111.14927    55.33472
   55    52 S   HC   _H23    57     1.09669   111.32740   175.09523
   56    50 S   CT   _C14    58     1.53665   110.96566   -60.24809
   57    56 S   HC   _H24    59     1.09482   111.98834    64.94903
   58    56 S   HC   _H25    60     1.09672   111.31637  -174.84874
   59    56 S   HC   _H26    61     1.09690   111.14407   -55.09972
   60    51 S   CZ   _C4_    52     1.20109   179.92087     3.64126
   61    60 S   HC   _H18    53     1.06507   179.95154   174.38528
  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   7   5   4   3
   9   2   1   1   8   4   8   3   9   6   3   8   3   1   1  12
   4  11  10   8   3   2   1   4   2   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    46    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47  
   35    36  
   36  
    0  
   38    39    40    41    42    46    47    44  
   39    40    41    46  
   40    41    42    43    46    44    45    48  
   41    42    44  
   42    43    46    47    44    45    48    49    50  
   43    46    47    44    45    48  
   46    47    44  
   45    48    49    50    51    52    56    46  
   48    49    50  
   47  
    0  
   49    50    51    60    52    53    54    55    56    57    58    59  
   50    51    52    56  
   51    60    61    52    53    54    55    56    57    58    59  
   60    61    52    53    54    55    56    57    58    59  
   53    54    55    56    57    58    59    60  
   54    55    56  
   55    56  
   56  
   57    58    59    60  
   58    59  
   59  
    0  
   61  
    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  -0.320000   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   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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  -0.115000   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   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   61   2.4200   0.0300   0.200000   1.3810   1.2100   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    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   250.000  1.760
   33    37   469.000  1.400
   33    46   469.000  1.400
   37    38   300.000  1.725
   37    39   469.000  1.400
   39    40   367.000  1.080
   39    41   469.000  1.400
   41    42   469.000  1.400
   41    44   400.000  1.490
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   300.000  1.725
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    50   337.000  1.449
   50    51   390.000  1.470
   50    52   268.000  1.529
   50    56   268.000  1.529
   51    60   985.000  1.221
   60    61   410.000  1.067
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    46    85.00000  119.40000
   33    37    38    75.00000  120.00000
   33    37    39    63.00000  120.00000
   33    46    42    63.00000  120.00000
   33    46    47    75.00000  120.00000
   37    39    40    35.00000  120.00000
   37    39    41    63.00000  120.00000
   39    37    38    75.00000  120.00000
   39    41    42    63.00000  120.00000
   39    41    44    85.00000  120.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    80.00000  120.40000
   41    44    48    75.00000  113.92100
   42    46    47    75.00000  120.00000
   46    33    37    63.00000  120.00000
   46    42    43    35.00000  120.00000
   44    41    42    85.00000  120.00000
   44    48    49    35.00000  119.80000
   44    48    50    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    50    51    80.00000  111.92500
   48    50    52    70.00000  110.72300
   48    50    56    70.00000  110.72300
   50    48    49    38.00000  118.40000
   50    51    60    30.00000  179.48800
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   51    60    61    20.00000  179.85100
   52    50    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    50    51    58.35000  112.70000
   56    50    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    46   0.63250 -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    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    46    42   3.62500 -1.0 2.0
   29    33    46    47   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    41   3.62500 -1.0 2.0
   37    33    46    42   3.62500 -1.0 2.0
   37    33    46    47   3.62500 -1.0 2.0
   37    39   -41    42   3.62500 -1.0 2.0
   37    39    41    44   3.62500 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    41   3.62500 -1.0 2.0
   39    41    42    43   3.62500 -1.0 2.0
   39    41    42    46   3.62500 -1.0 2.0
   39    41    44    45   1.05000 -1.0 2.0
   39    41    44    48   0.75700  1.0 1.0
   39    41    44    48   0.34650 -1.0 2.0
   39    41    44    48   0.33000  1.0 3.0
   39    41    44    48  -0.28100 -1.0 4.0
   40    39    41    42   3.62500 -1.0 2.0
   40    39    41    44   3.62500 -1.0 2.0
   41    42   -46    33   3.62500 -1.0 2.0
   41    42    46    47   3.62500 -1.0 2.0
   41    44    48    49   2.56700 -1.0 2.0
   41    44    48    50   1.49850  1.0 1.0
   41    44    48    50   1.53950 -1.0 2.0
   42    41    44    45   1.05000 -1.0 2.0
   42    41    44    48   0.75700  1.0 1.0
   42    41    44    48   0.34650 -1.0 2.0
   42    41    44    48   0.33000  1.0 3.0
   42    41    44    48  -0.28100 -1.0 4.0
   43    42    46    33   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   46    33    37    38   3.62500 -1.0 2.0
   46    33   -37    39   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   44    48    50    51  -0.42300  1.0 1.0
   44    48    50    51  -0.07000 -1.0 2.0
   44    48    50    51   0.04150  1.0 3.0
   44    48    50    52  -0.43950  1.0 1.0
   44    48    50    52  -0.08100 -1.0 2.0
   44    48    50    52   0.03350  1.0 3.0
   44    48    50    56  -0.43950  1.0 1.0
   44    48    50    56  -0.08100 -1.0 2.0
   44    48    50    56   0.03350  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    50   3.04450 -1.0 2.0
   48    50    51    60   0.00000  1.0 1.0
   48    50    52    53   0.15000  1.0 3.0
   48    50    52    54   0.15000  1.0 3.0
   48    50    52    55   0.15000  1.0 3.0
   48    50    56    57   0.15000  1.0 3.0
   48    50    56    58   0.15000  1.0 3.0
   48    50    56    59   0.15000  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    56   0.00000  1.0 1.0
   50    51    60    61   0.00000  1.0 1.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   52    50    51    60   0.00000  1.0 1.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    59   0.15000  1.0 3.0
   56    50    51    60   0.00000  1.0 1.0
   56    50    52    53   0.15000  1.0 3.0
   56    50    52    54   0.15000  1.0 3.0
   56    50    52    55   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   37    46    33    29   4.00000 -1.0 2.0
   39    38    37    33   4.00000 -1.0 2.0
   41    40    39    37   1.10000 -1.0 2.0
   42    44    41    39   4.00000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   42    47    46    33   4.00000 -1.0 2.0
   41    48    44    45  10.50000 -1.0 2.0
   49    44    48    50   1.00000 -1.0 2.0
END
