* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    106    165     312
    1     0 S   NP   _N1_     1    28.82899    95.32710   -22.42357
    2     1 S   H    _HN1     2     1.02777    98.87488   -92.17083
    3     1 S   H    _H1_     3     1.02941    80.33952    15.06720
    4     1 S   H    _H2_     4     1.02825    33.34586   158.65860
    5     1 S   CT   _CA1     5     1.50169   140.62906   125.57952
    6     5 S   HC   _HA1     6     1.09586   105.14198    78.33205
    7     5 S   CO3  _C1_     7     1.53850   111.92379   -41.59070
    8     7 S   O2Z  _O11     8     1.26383   115.05097   -52.08342
    9     7 S   O2Z  _O12     9     1.26221   114.79242   126.22507
   10     5 S   CT   _CB1    10     1.53031   107.29392  -164.07711
   11    10 S   HC   HB11    11     1.09835   109.38317   -50.00111
   12    10 S   HC   HB12    12     1.09807   110.50431    66.58627
   13    10 S   CT   _CG1    13     1.52980   112.58013  -170.95686
   14    13 S   HC   HG11    14     1.09513   110.39692   -63.74478
   15    13 S   HC   HG12    15     1.09653   109.95570    55.40776
   16    13 S   C    _CD1    16     1.51859   112.06453   175.72744
   17    16 S   O    _OE1    17     1.22781   123.20745     2.00867
   18    16 S   N    _N2_    18     1.38605   111.89569  -177.77050
   19    18 S   H    _HN2    19     1.01790   118.89101     0.37846
   20    18 S   CT1  _CA2    20     1.46242   123.37378   179.56840
   21    20 S   HC   _HA2    21     1.09737   109.28117     1.91121
   22    20 S   C    _C2_    22     1.53448   108.97111  -113.70806
   23    22 S   O    _O2_    23     1.23078   122.20860  -148.59718
   24    20 S   CT   _CB2    32     1.53437   111.44623   123.59991
   25    24 S   HC   HB21    33     1.09409   109.51444    59.99592
   26    24 S   HC   HB22    34     1.09527   110.41618   177.98074
   27    22 S   N    _N3_    24     1.38342   113.76238    39.14704
   28    27 S   H    _HN3    25     1.01602   119.54944    -4.37153
   29    24 S   S    _SG2    35     1.83307   111.01336   -63.04070
   30    27 S   CT   _CA3    26     1.45285   123.07765   176.74460
   31    30 S   HC   HA31    27     1.09557   107.63066   -60.78615
   32    30 S   HC   HA32    28     1.09560   107.80502    55.57312
   33    29 S   CT   _C15    36     1.84360   101.57251   145.95917
   34    33 S   Cl   Cl3_    37     1.80247   108.84201    62.54396
   35    30 S   CO3  _C3_    29     1.52933   114.23128   177.47493
   36    35 S   O2Z  _O31    30     1.26355   116.11253    -0.63520
   37    35 S   O2Z  _O32    31     1.26444   114.39460   179.38547
   38    33 S   CM   _C14    38     1.51242   108.42698   178.31484
   39    38 S   HC   _H8_    39     1.09052   115.39407   -47.17083
   40    33 S   CO4  _C16    59     1.52633   111.01341   -56.13268
   41    40 S   O    _O36    60     1.22620   125.44128   141.86030
   42    38 S   CM   _C13    40     1.34236   126.51597   131.83015
   43    42 S   HC   _H7_    41     1.08335   121.72989     1.28527
   44    40 S   CO3  _C17    61     1.50619   121.77177   -41.81910
   45    44 S   O2Z  _O34    62     1.26615   115.49526   136.56629
   46    44 S   O2Z  _O35    63     1.26435   115.78456   -42.77431
   47    42 S   CO4  _C12    42     1.48954   120.32846  -176.83442
   48    47 S   O    _O33    43     1.22571   122.54225   -12.47272
   49    47 S   CM   _C10    44     1.50497   114.96317   165.67118
   50    49 S   CA   _C9_    45     1.48255   117.96597   -45.87798
   51    49 S   CM   _C11    56     1.35032   119.74541   137.05598
   52    51 S   Cl   Cl1_    57     1.73847   123.56825    -5.41030
   53    51 S   Cl   Cl2_    58     1.74278   122.50789   175.63803
   54    50 S   CA   _C4_    46     1.40237   119.81827   -64.49643
   55    54 S   HA   _H3_    47     1.08774   120.67825    -1.20480
   56    54 S   CA   _C5_    48     1.39662   120.39918   178.52329
   57    56 S   HA   _H4_    49     1.08698   119.46647  -179.71469
   58    56 S   CA   _C6_    50     1.39394   119.74512    -0.03426
   59    58 S   Cl   Cl4_    51     1.72155   119.82839   179.47400
   60    58 S   CA   _C7_    52     1.39393   120.48932    -0.33220
   61    60 S   HA   _H5_    53     1.08665   120.83676  -179.52687
   62    50 S   CA   _C8_    54     1.40319   120.94554   113.45235
   63    62 S   HA   _H6_    55     1.08766   120.67540     0.82662
  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   8   5   4   3
  11   6   2   1   1   9   4   5   3   6   3   2   1   1   8   3
  10  12   4   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    40    41    44    45    46  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    47    48    49    40    41    44  
   42    43    47    40  
   41    44    45    46    42  
   44    45    46  
   43    47    48    49    50    51  
   47    48    49  
   45    46  
   46  
    0  
   48    49    50    54    62    51    52    53  
   49    50    51  
   50    54    55    56    60    62    63    51    52    53  
   54    55    56    57    58    60    61    62    63    51    52    53  
   52    53    54    62  
   53  
    0  
   55    56    57    58    59    60    62    63  
   56    57    58    62  
   57    58    59    60    61    62  
   58    59    60  
   59    60    61    62    63  
   60    61    62  
   61    62    63  
   62    63  
   63  
    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   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.4000   0.3000  -0.060000   2.1950   1.9500   0.001000000   0.320982824
   53   3.4000   0.3000  -0.060000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
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   245.000  1.781
   33    38   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    47   320.000  1.462
   47    48   570.000  1.229
   47    49   320.000  1.462
   49    50   320.000  1.460
   49    51   549.000  1.340
   50    54   469.000  1.400
   50    62   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   300.000  1.725
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   51    52   300.000  1.725
   51    53   300.000  1.725
   40    41   570.000  1.229
   40    44   250.000  1.524
   44    45   656.000  1.250
   44    46   656.000  1.250
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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    65.00000  114.64000
   38    33    34    75.00000  111.90500
   38    42    43    35.00000  120.00000
   38    42    47    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    47    48    80.00000  123.72100
   42    47    49    65.00000  118.65900
   47    42    43    40.00000  117.72500
   47    49    50    75.00000  114.44000
   47    49    51    65.00000  118.96000
   49    47    48    80.00000  123.72100
   49    50    54    60.00000  120.93500
   49    50    62    60.00000  120.93500
   49    51    52    75.00000  121.50000
   49    51    53    75.00000  121.50000
   50    54    55    35.00000  120.00000
   50    54    56    63.00000  120.00000
   50    62    60    63.00000  120.00000
   50    62    63    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    75.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    75.00000  120.00000
   60    62    63    35.00000  120.00000
   62    50    54    63.00000  120.00000
   62    60    61    35.00000  120.00000
   51    49    50    60.00000  123.20500
   53    51    52    78.00000  111.70000
   40    33    34    70.00000  110.66000
   40    33    38    70.00000  109.06800
   40    44    45    85.00000  112.82000
   40    44    46    85.00000  112.82000
   44    40    41    80.00000  120.92000
   46    44    45    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.65300  1.0 1.0
   29    33    40    44  -0.03850 -1.0 2.0
   29    33    40    44   0.33900  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    40    44    45   0.49600 -1.0 2.0
   33    40    44    46   0.49600 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.09700  1.0 1.0
   34    33    38    42   0.15600 -1.0 2.0
   34    33    38    42  -0.50800  1.0 3.0
   34    33    40    41   0.30150 -1.0 2.0
   34    33    40    44   0.65300  1.0 1.0
   34    33    40    44  -0.03850 -1.0 2.0
   34    33    40    44   0.33900  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.65300  1.0 1.0
   38    33    40    44  -0.03850 -1.0 2.0
   38    33    40    44   0.33900  1.0 3.0
   38    42    47    48   1.00000 -1.0 2.0
   38    42    47    49  -1.18350  1.0 1.0
   38    42    47    49   1.45950 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   42    47    49    50   1.50000 -1.0 2.0
   42    47    49    51  -1.18350  1.0 1.0
   42    47    49    51   1.45950 -1.0 2.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.93700 -1.0 2.0
   47    49    50    54  -0.01750  1.0 1.0
   47    49    50    54  -0.32000 -1.0 2.0
   47    49    50    54   0.00600  1.0 3.0
   47    49    50    62  -0.01750  1.0 1.0
   47    49    50    62  -0.32000 -1.0 2.0
   47    49    50    62   0.00600  1.0 3.0
   47    49    51    52   7.00000 -1.0 2.0
   47    49    51    53   7.00000 -1.0 2.0
   48    47    49    50  -0.52200  1.0 1.0
   48    47    49    50   0.82950 -1.0 2.0
   48    47    49    51   1.00000 -1.0 2.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    56   3.62500 -1.0 2.0
   49    50    62    60   3.62500 -1.0 2.0
   49    50    62    63   3.62500 -1.0 2.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    53   7.00000 -1.0 2.0
   50    54    56    57   3.62500 -1.0 2.0
   50    54    56    58   3.62500 -1.0 2.0
   54    50    62    60   3.62500 -1.0 2.0
   54    50    62    63   3.62500 -1.0 2.0
   54    56    58    59   3.62500 -1.0 2.0
   54    56   -58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   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    50   3.62500 -1.0 2.0
   58    60    62    63   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
   61    60    62    50   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   62    50    54    55   3.62500 -1.0 2.0
   62    50   -54    56   3.62500 -1.0 2.0
   51    49    50    54   0.15800  1.0 1.0
   51    49    50    54   1.85350 -1.0 2.0
   51    49    50    54  -0.48700  1.0 3.0
   51    49    50    62   0.15800  1.0 1.0
   51    49    50    62   1.85350 -1.0 2.0
   51    49    50    62  -0.48700  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   41    40    44    45   0.06100 -1.0 2.0
   41    40    44    46   0.06100 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   47    43    42    38  15.00000 -1.0 2.0
   42    49    47    48  10.50000 -1.0 2.0
   47    50    49    51  15.00000 -1.0 2.0
   54    62    50    49   4.00000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    59    58    56   4.00000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   60    63    62    50   1.10000 -1.0 2.0
   52    53    51    49  15.00000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
