* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    130    208     389
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080    95.21787    31.19959
    3     1 S   H    _H1_     3     1.02098    33.90230   147.30490
    4     1 S   H    _H2_     4     1.02064    84.76369   -77.19953
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C6_    36     1.83966    97.57224  -158.16181
   34    33 S   HC   _H4_    37     1.10029   104.34525    42.96094
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C5_    38     1.54694   113.09831   159.96927
   39    38 S   HC   _H3_    39     1.09949   108.56511  -169.54961
   40    38 S   OS   _O33    40     1.43314   110.72770    72.26650
   41    38 S   CT   _C4_    65     1.52532   115.07589   -50.35102
   42    41 S   HC   _H7_    66     1.08957   109.93915  -179.96044
   43    41 S   HC   _H8_    67     1.08963   109.92771    59.07338
   44    40 S   CO   _C9_    41     1.43329   112.93213    63.63678
   45    44 S   HC   _H6_    42     1.09714   107.50243    57.45445
   46    41 S   OS   _O37    68     1.41606   108.55114   -60.43876
   47    44 S   CT   _C8_    43     1.53868   111.31185   -62.04573
   48    47 S   HC   _H5_    44     1.09684   110.03400   173.82172
   49    46 S   PR   _P1_    69     1.62419   116.43379  -180.00000
   50    49 S   OM   _O38    70     1.46023    98.10791   179.97202
   51    33 S   CT   _C7_    45     1.55115   112.48727   -74.81135
   52    47 S   NE   _N7_    50     1.47730   110.15237   -70.73848
   53    52 S   H    _H11    51     1.02219   125.16576   152.30733
   54    49 S   OH   _O39    71     1.61855    98.12326   -80.75355
   55    54 S   HO   _H16    72     0.98118   110.33926   -99.47161
   56    51 S   OH   _O35    46     1.42622   112.19561    46.26335
   57    56 S   HO   _H14    47     0.97027   106.51892    52.32623
   58    51 S   OH   _O36    48     1.44102   105.63943   162.56414
   59    58 S   HO   _H15    49     0.96580   105.62258  -178.80008
   60    52 S   CM   _C13    52     1.56860   117.38653   -36.62790
   61    60 S   CM   _C10    53     1.50124   118.60957     7.40483
   62    61 S   NI   _N5_    54     1.29786   118.08209  -172.41967
   63    44 S   NE   _N4_    63     1.45581   109.96658   173.03393
   64    63 S   H    _H9_    64     1.01635   116.39212   -86.74361
   65    62 S   CDX  _C11    55     1.36830   122.43800    -1.85192
   66    65 S   N    _N6_    56     1.33960   123.35192    -1.95445
   67    66 S   H    _H10    57     1.01662   117.23348  -178.52157
   68    65 S   NE   _N8_    60     1.33158   118.65623   178.67677
   69    68 S   H    _H12    61     1.01263   120.28190    -0.04423
   70    68 S   H    _H13    62     1.01357   120.19767  -179.98022
   71    60 S   C    _C12    58     1.49196   121.31077  -171.04073
   72    71 S   O    _O34    59     1.21345   123.75207    -6.74416
  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  10   5   4   3
  17   8   2   1   1  14   7  13   8   3   2  13   7   4  13   7
   3   2   8  10   3   1   1   3   1   1   1   9   8   9   3   1
   7   6   3   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    51    56    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    47    48    51    56    57    58    59    52    41    42    43    46  
   38    39    40    47    51    56    58    41  
   36    37  
   37  
    0  
   39    40    44    45    47    51    56    58    63    41    42    43    46    49  
   40    44    51    41    42    43    46  
   44    45    47    48    51    52    61    63    64    41    42    43    46  
   42    43    46    49    50    54    44    51  
   43    46    49  
   46    49  
   45    47    48    51    56    58    52    53    60    61    62    63    64  
   47    48    51    52    61    63    64  
   49    50    54    55  
   48    51    56    57    58    59    52    53    60    61    71    63    64  
   51    56    58    52    53    60    63  
   50    54    55  
   54    55  
   56    57    58    59    52    53    60    63  
   53    60    61    62    66    71    72    63    56    58  
   60    61    71  
   55  
    0  
   57    58    59  
   58  
   59  
    0  
   61    62    65    66    67    71    72    63    64  
   62    65    66    71    72    68    63    64  
   65    66    67    71    68    69    70    63    64  
   64    65    71  
    0  
   66    67    71    72    68    69    70  
   67    71    72    68    69    70  
   71    72    68  
   69    70    71  
   70  
    0  
   72  
    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   0.107500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.712500   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.530000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   53   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   54   3.1200   0.1700  -0.930500   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   62   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   63   3.2500   0.1700  -0.494200   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   66   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   268.000  1.529
   40    44   320.000  1.380
   44    45   340.000  1.090
   44    47   250.000  1.527
   44    63   320.000  1.442
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    52   382.000  1.448
   51    56   320.000  1.410
   51    58   320.000  1.410
   56    57   553.000  0.945
   58    59   553.000  0.945
   52    53   434.000  1.010
   52    60   425.000  1.378
   60    61   549.000  1.340
   60    71   410.000  1.444
   61    62   405.000  1.380
   61    63   425.000  1.378
   62    65   650.000  1.285
   65    66   400.000  1.380
   65    68   445.000  1.380
   66    67   434.000  1.010
   66    71   490.000  1.335
   71    72   570.000  1.229
   68    69   434.000  1.010
   68    70   434.000  1.010
   63    64   434.000  1.010
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    49   325.000  1.672
   49    50   325.000  1.672
   49    54   325.000  1.672
   54    55   553.000  0.945
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    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    58.35000  112.70000
   33    51    47    58.35000  112.70000
   33    51    56    50.00000  109.50000
   33    51    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    46    50.00000  109.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    47    90.00000  108.56700
   40    44    63    95.00000  112.71300
   44    47    48    45.00000  108.72000
   44    47    51    75.00000  109.43000
   44    47    52    80.00000  111.61500
   44    63    61    50.00000  121.00000
   44    63    64    50.00000  113.12000
   47    44    45    45.00000  112.01100
   47    51    56    50.00000  109.50000
   47    51    58    50.00000  109.50000
   47    52    53    35.00000  112.50000
   47    52    60    50.00000  121.00000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    56    57    55.00000  108.50000
   51    58    59    55.00000  108.50000
   58    51    56   115.00000  113.08500
   52    47    48    35.00000  109.50000
   52    47    51    80.00000  111.61500
   52    60    61    70.00000  124.03900
   52    60    71    70.00000  117.92000
   60    52    53    35.00000  114.50000
   60    61    62    70.00000  120.83400
   60    61    63    70.00000  124.03900
   60    71    66    80.00000  111.56200
   60    71    72    80.00000  125.30000
   61    62    65    70.00000  116.49400
   61    63    64    35.00000  114.50000
   62    65    66    80.00000  119.04400
   62    65    68    75.00000  124.36500
   65    66    67    45.00000  120.05200
   65    66    71    70.00000  120.51600
   65    68    69    35.00000  119.50000
   65    68    70    35.00000  119.50000
   66    71    72    80.00000  122.90000
   71    60    61    70.00000  118.70000
   71    66    67    35.00000  119.80000
   68    65    66    85.00000  111.44000
   70    68    69    35.00000  109.00000
   63    44    45    50.00000  108.16000
   63    44    47    85.00000  109.98000
   63    61    62    85.00000  113.56000
   41    38    39    37.50000  110.70000
   41    38    40    50.00000  109.50000
   41    46    49   100.00000  120.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    49    50    45.00000  102.60000
   46    49    54    45.00000  102.60000
   49    54    55    45.00000  108.50000
   54    49    50    35.00000   94.00000
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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    51    47   0.44750  1.0 1.0
   29    33    51    47  -0.17800 -1.0 2.0
   29    33    51    47   0.20200  1.0 3.0
   29    33    51    56   0.56750  1.0 1.0
   29    33    51    56  -0.07550 -1.0 2.0
   29    33    51    56   0.20000  1.0 3.0
   29    33    51    58   0.56750  1.0 1.0
   29    33    51    58  -0.07550 -1.0 2.0
   29    33    51    58   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    46   0.62750  1.0 1.0
   33    38    41    46  -0.30950 -1.0 2.0
   33    38    41    46   0.27300  1.0 3.0
   33    51    56    57  -0.11600  1.0 1.0
   33    51    56    57  -0.09450 -1.0 2.0
   33    51    56    57   0.21250  1.0 3.0
   33    51    58    59  -0.11600  1.0 1.0
   33    51    58    59  -0.09450 -1.0 2.0
   33    51    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    51    47   0.15000  1.0 3.0
   34    33    51    56   0.23400  1.0 3.0
   34    33    51    58   0.23400  1.0 3.0
   38    33    51    47   0.56750  1.0 1.0
   38    33    51    47  -0.07550 -1.0 2.0
   38    33    51    47   0.20000  1.0 3.0
   38    33    51    56   0.86500  1.0 1.0
   38    33    51    56  -0.17500 -1.0 2.0
   38    33    51    56   0.20800  1.0 3.0
   38    33    51    58   0.86500  1.0 1.0
   38    33    51    58  -0.17500 -1.0 2.0
   38    33    51    58   0.20800  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    47   0.06250  1.0 1.0
   38    40   -44    47  -0.01100 -1.0 2.0
   38    40   -44    47   0.28050  1.0 3.0
   38    40    44    63  -0.25000  1.0 1.0
   38    40    44    63  -0.75000 -1.0 2.0
   38    40    44    63   0.50000  1.0 3.0
   38    41    46    49  -2.65550  1.0 1.0
   38    41    46    49  -0.22350 -1.0 2.0
   38    41    46    49   0.24150  1.0 3.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   40    38    41    42   0.23400  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    46   1.11900  1.0 1.0
   40    38    41    46  -1.16350 -1.0 2.0
   40    38    41    46  -0.34150  1.0 3.0
   40    44    47    48   0.23400  1.0 3.0
   40    44    47    51   0.62750  1.0 1.0
   40    44    47    51  -0.30950 -1.0 2.0
   40    44    47    51   0.27300  1.0 3.0
   40    44    47    52   2.03850  1.0 1.0
   40    44    47    52  -0.40600 -1.0 2.0
   40    44    63    61   0.75000  1.0 1.0
   40    44    63    61  -0.75000 -1.0 2.0
   40    44    63    64  -1.49000  1.0 1.0
   40    44    63    64  -2.58450 -1.0 2.0
   44    47   -51    33   3.97050  1.0 1.0
   44    47    51    56   0.86500  1.0 1.0
   44    47    51    56  -0.17500 -1.0 2.0
   44    47    51    56   0.20800  1.0 3.0
   44    47    51    58   0.86500  1.0 1.0
   44    47    51    58  -0.17500 -1.0 2.0
   44    47    51    58   0.20800  1.0 3.0
   44    47    52    53   0.00000  1.0 1.0
   44    47    52    60   0.25450  1.0 1.0
   44    47    52    60  -0.61700 -1.0 2.0
   44    47    52    60  -0.23550  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   45    44    47    52   0.22950  1.0 3.0
   45    44    63    61   0.00000  1.0 1.0
   45    44    63    64   0.00000  1.0 1.0
   47    44    63    61   0.25450  1.0 1.0
   47    44    63    61  -0.61700 -1.0 2.0
   47    44    63    61  -0.23550  1.0 3.0
   47    44    63    64   0.00000  1.0 1.0
   47    51    56    57  -0.11600  1.0 1.0
   47    51    56    57  -0.09450 -1.0 2.0
   47    51    56    57   0.21250  1.0 3.0
   47    51    58    59  -0.11600  1.0 1.0
   47    51    58    59  -0.09450 -1.0 2.0
   47    51    58    59   0.21250  1.0 3.0
   47    52   -60    61  -0.54700  1.0 1.0
   47    52   -60    61   1.23000 -1.0 2.0
   47    52    60    71   1.00000 -1.0 2.0
   48    47    51    33   0.15000  1.0 3.0
   48    47    51    56   0.23400  1.0 3.0
   48    47    51    58   0.23400  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    60   0.00000  1.0 1.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.62750  1.0 1.0
   51    33   -38    40  -0.30950 -1.0 2.0
   51    33   -38    40   0.27300  1.0 3.0
   51    33    38    41   0.56750  1.0 1.0
   51    33    38    41  -0.07550 -1.0 2.0
   51    33    38    41   0.20000  1.0 3.0
   51    47    52    53   0.00000  1.0 1.0
   51    47    52    60   0.25450  1.0 1.0
   51    47    52    60  -0.61700 -1.0 2.0
   51    47    52    60  -0.23550  1.0 3.0
   56    51    58    59   0.13450  1.0 1.0
   56    51    58    59  -0.58300 -1.0 2.0
   56    51    58    59   0.14300  1.0 3.0
   58    51    56    57   0.13450  1.0 1.0
   58    51    56    57  -0.58300 -1.0 2.0
   58    51    56    57   0.14300  1.0 3.0
   52    47    51    33   1.26750  1.0 1.0
   52    47    51    33  -0.00950 -1.0 2.0
   52    47    51    33   0.30600  1.0 3.0
   52    47    51    56   4.07950  1.0 1.0
   52    47    51    56  -0.26450 -1.0 2.0
   52    47    51    56  -0.12150  1.0 3.0
   52    47    51    58   4.07950  1.0 1.0
   52    47    51    58  -0.26450 -1.0 2.0
   52    47    51    58  -0.12150  1.0 3.0
   52    60    61    62   7.00000 -1.0 2.0
   52    60    61    63   7.00000 -1.0 2.0
   52    60    71    66   1.50000 -1.0 2.0
   52    60    71    72  -0.52200  1.0 1.0
   52    60    71    72   0.82950 -1.0 2.0
   53    52    60    61   1.00000 -1.0 2.0
   53    52    60    71   1.00000 -1.0 2.0
   60    61    62    65   1.00000 -1.0 2.0
   60    61   -63    44  -0.54700  1.0 1.0
   60    61   -63    44   1.23000 -1.0 2.0
   60    61    63    64   1.00000 -1.0 2.0
   61    60    71    66   0.49500  1.0 1.0
   61    60    71    66   1.31600 -1.0 2.0
   61    60    71    66  -0.02300  1.0 3.0
   61    60    71    72   1.00000 -1.0 2.0
   61    62   -65    66   6.00000 -1.0 2.0
   61    62    65    68   6.00000 -1.0 2.0
   62    61    63    44   1.00000 -1.0 2.0
   62    61    63    64   1.00000 -1.0 2.0
   62    65    66    67   1.00000 -1.0 2.0
   62    65    66    71  -0.56400  1.0 1.0
   62    65    66    71   0.77500 -1.0 2.0
   62    65    66    71   0.18700  1.0 3.0
   62    65    68    69   1.50000 -1.0 2.0
   62    65    68    70   1.50000 -1.0 2.0
   65    66   -71    60   2.45000 -1.0 2.0
   65    66    71    72   2.67200 -1.0 2.0
   66    65    68    69   1.00000 -1.0 2.0
   66    65    68    70   1.00000 -1.0 2.0
   67    66    71    60   2.56700 -1.0 2.0
   67    66    71    72   2.45000 -1.0 2.0
   71    60   -61    62   7.00000 -1.0 2.0
   71    60    61    63   7.00000 -1.0 2.0
   68    65    66    67   1.00000 -1.0 2.0
   68    65    66    71  -0.56400  1.0 1.0
   68    65    66    71   0.77500 -1.0 2.0
   68    65    66    71   0.18700  1.0 3.0
   63    44    47    48   0.22950  1.0 3.0
   63    44    47    51   1.26750  1.0 1.0
   63    44    47    51  -0.00950 -1.0 2.0
   63    44    47    51   0.30600  1.0 3.0
   63    44   -47    52   2.20050  1.0 1.0
   63    44   -47    52   0.63450 -1.0 2.0
   63    44   -47    52  -0.91300  1.0 3.0
   63    61    62    65   1.00000 -1.0 2.0
   41    38    40    44   0.06250  1.0 1.0
   41    38    40    44  -0.01100 -1.0 2.0
   41    38    40    44   0.28050  1.0 3.0
   41    46    49    50   0.05050  1.0 1.0
   41    46    49    50  -1.30700 -1.0 2.0
   41    46    49    50   0.91550  1.0 3.0
   41    46    49    54   0.05050  1.0 1.0
   41    46    49    54  -1.30700 -1.0 2.0
   41    46    49    54   0.91550  1.0 3.0
   42    41    46    49   0.03000  1.0 3.0
   43    41    46    49   0.03000  1.0 3.0
   46    49    54    55   0.00000  1.0 1.0
   50    49    54    55   0.00000  1.0 1.0
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
   53    60    52    47   1.00000 -1.0 2.0
   52    71    60    61   1.10000 -1.0 2.0
   62    63    61    60   1.10000 -1.0 2.0
   66    68    65    62  10.50000 -1.0 2.0
   67    65    66    71   1.00000 -1.0 2.0
   60    66    71    72  10.50000 -1.0 2.0
   70    65    68    69   1.00000 -1.0 2.0
   64    61    63    44   1.00000 -1.0 2.0
END
