* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    138    217     413
    1     0 S   NP   _N1_     1    29.19296    91.33030   -21.74015
    2     1 S   H    _HN1     2     1.02946   103.87752    31.04448
    3     1 S   H    _H1_     3     1.02836    13.49378   136.94152
    4     1 S   H    _H2_     4     1.02785    97.13995   -79.85149
    5     1 S   CT   _CA1     5     1.50175   123.47645   157.59211
    6     5 S   HC   _HA1     6     1.09587   105.14510    54.40161
    7     5 S   CO3  _C1_     7     1.53769   112.01276   -65.50043
    8     7 S   O2Z  _O11     8     1.26399   115.16217   -50.81947
    9     7 S   O2Z  _O12     9     1.26232   114.90973   127.94233
   10     5 S   CT   _CB1    10     1.53089   107.31800   171.95485
   11    10 S   HC   HB11    11     1.09824   109.20500   -50.45026
   12    10 S   HC   HB12    12     1.09820   110.52335    66.05178
   13    10 S   CT   _CG1    13     1.53036   112.76003  -171.56069
   14    13 S   HC   HG11    14     1.09531   110.32342   -63.70756
   15    13 S   HC   HG12    15     1.09640   110.13529    55.44176
   16    13 S   C    _CD1    16     1.51908   112.09260   175.40002
   17    16 S   O    _OE1    17     1.22762   123.12130    -9.61648
   18    16 S   N    _N2_    18     1.38612   111.87005   171.16500
   19    18 S   H    _HN2    19     1.01592   118.99336     0.47642
   20    18 S   CT1  _CA2    20     1.46424   123.39925  -179.26405
   21    20 S   HC   _HA2    21     1.09735   109.31121   -12.40563
   22    20 S   C    _C2_    22     1.53352   108.26815  -127.97537
   23    22 S   O    _O2_    23     1.23022   122.49786  -147.33006
   24    20 S   CT   _CB2    32     1.53457   111.43603   109.69277
   25    24 S   HC   HB21    33     1.09351   109.32237    56.07533
   26    24 S   HC   HB22    34     1.09483   110.84066   174.75832
   27    22 S   N    _N3_    24     1.38412   113.39636    40.17869
   28    27 S   H    _HN3    25     1.01654   119.45844    -3.68047
   29    24 S   S    _SG2    35     1.82540   111.12969   -65.51952
   30    27 S   CT   _CA3    26     1.45280   123.06141   176.91212
   31    30 S   HC   HA31    27     1.09557   107.56070   -62.92456
   32    30 S   HC   HA32    28     1.09564   107.89019    53.45239
   33    29 S   CT   _C13    36     1.91026   100.29676   157.56706
   34    33 S   HC   _H3_    37     1.09491   105.47085    -0.23903
   35    30 S   CO3  _C3_    29     1.52918   114.19826   175.44289
   36    35 S   O2Z  _O31    30     1.26352   116.07667     0.20842
   37    35 S   O2Z  _O32    31     1.26431   114.40258  -179.75213
   38    33 S   CT   _C14    38     1.60156   109.67168  -116.73264
   39    38 S   CM   _C5_    39     1.53487   108.57633   -73.84452
   40    38 S   CT   _C17    71     1.55239   111.13572   169.43603
   41    40 S   HC   _H34    72     1.09421   111.55301   -46.50325
   42    40 S   HC   _H35    73     1.09541   111.95729  -166.27809
   43    40 S   HC   _H36    74     1.09199   112.82576    75.57042
   44    39 S   CM   _C4_    40     1.34434   123.65026   -19.24583
   45    44 S   HC   _H21    41     1.08591   121.13957  -179.80218
   46    39 S   CT   _C9_    55     1.51084   117.40306   163.49320
   47    46 S   HC   _H24    56     1.09728   108.73803    72.93137
   48    46 S   HC   _H25    57     1.09693   111.25053  -170.27407
   49    44 S   CO4  _C6_    42     1.49238   123.77415    -3.12525
   50    49 S   O    _O17    43     1.23415   117.08349   179.87028
   51    46 S   CT   _C10    58     1.51883   112.28151   -48.35496
   52    51 S   HC   _H26    59     1.09696   109.75453   178.35479
   53    51 S   HC   _H27    60     1.09819   110.62147   -65.43648
   54    33 S   CT   _C15    44     1.58436   109.87096   117.47778
   55    54 S   OM   _O16    45     1.32696   110.49166   -48.16538
   56    51 S   CT   _C12    61     1.52449   110.86703    56.93167
   57    56 S   HC   _H29    62     1.09528   110.12041    63.53811
   58    54 S   CM   _C8_    46     1.55239   115.73213  -166.65860
   59    38 S   CT   _C11    63     1.59210   111.67205    49.42060
   60    59 S   HC   _H28    64     1.09357   109.79977   -47.23090
   61    56 S   OH   _O18    69     1.42675   109.12325  -179.30959
   62    61 S   HO   _H39    70     0.97324   108.52940   -45.61170
   63    58 S   CM   _C7_    47     1.34998   123.33230  -125.27062
   64    63 S   HC   _H22    48     1.08472   121.90683  -178.98780
   65    63 S   HC   _H23    49     1.08321   122.85517     0.56232
   66    58 S   CT   _C18    50     1.52876   116.56439    56.14878
   67    66 S   HC   _H37    51     1.09204   110.89683   -53.73167
   68    66 S   HC   _H38    52     1.09480   110.21946    66.56703
   69    59 S   CT   _C16    65     1.54065   113.34025    70.28566
   70    69 S   HC   _H31    66     1.09496   111.56191    74.61933
   71    69 S   HC   _H32    67     1.09176   112.16035   -46.57156
   72    69 S   HC   _H33    68     1.09563   110.63817  -166.00145
   73    66 S   OH   _O19    53     1.42477   112.79058  -173.40082
   74    73 S   HO   _H40    54     0.97202   106.83774  -177.76612
  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
  20   8   2   1   1  24  19  10   3   2   1  11   4  10   5   4
   6   3   9   5   4  10   3   9   5   8   7   5   2   1   6   2
   1   4   3   2   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    54    55    58    59    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    49    50    54    55    58    63    66    46    56    59    60    69    40    41    42    43  
   38    39    49    54    55    58    59    40  
   36    37  
   37  
    0  
   39    44    45    49    54    55    58    46    47    48    51    56    57    59    60    69    70    71    72    61    40    41    42    43  
   44    45    49    50    54    46    47    48    51    52    53    56    59    60    69    40    41    42    43  
   41    42    43    44    46    54    56    59    60    69  
   42    43    59  
   43    59  
   59  
   45    49    50    54    55    58    46    47    48    51    59  
   49    50    54    46  
   47    48    51    52    53    56    57    59    61    49  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    58    63    66  
   54    55    58  
   52    53    56    57    59    60    69    61    62  
   53    56    57    59    61  
   56    57    59    61  
   55    58    63    64    65    66    67    68    73    59  
   58    63    66  
   57    59    60    69    70    71    72    61    62  
   59    60    69    61    62  
   63    64    65    66    67    68    73    74  
   60    69    70    71    72    61    62  
   69    70    71    72    61  
   62    69  
    0  
   64    65    66    67    68    73  
   65    66  
   66  
   67    68    73    74  
   68    73    74  
   73    74  
   70    71    72  
   71    72  
   72  
    0  
   74  
    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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    54   268.000  1.529
   38    39   317.000  1.510
   38    59   268.000  1.529
   38    40   268.000  1.529
   39    44   549.000  1.340
   39    46   317.000  1.510
   44    45   340.000  1.080
   44    49   320.000  1.462
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    55   570.000  1.307
   54    58   317.000  1.510
   58    63   549.000  1.340
   58    66   317.000  1.510
   63    64   340.000  1.080
   63    65   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   320.000  1.410
   73    74   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   320.000  1.410
   59    60   340.000  1.090
   59    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   61    62   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  112.02700
   33    38    59    58.35000  112.70000
   33    38    40    58.35000  112.70000
   33    54    49    63.00000  111.10000
   33    54    55    50.00000  109.50000
   33    54    58    70.00000  112.02700
   38    33    34    37.50000  110.70000
   38    39    44    70.00000  124.00000
   38    39    46    65.00000  117.92700
   38    59    56    58.35000  112.70000
   38    59    60    37.50000  110.70000
   38    59    69    58.35000  112.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    43    37.50000  110.70000
   39    44    45    35.00000  120.00000
   39    44    49    65.00000  118.96000
   39    46    47    35.00000  109.50000
   39    46    48    35.00000  109.50000
   39    46    51    70.00000  112.02700
   44    49    50    80.00000  123.72100
   44    49    54    65.00000  118.62400
   49    44    45    40.00000  117.72500
   49    54    55    90.00000  108.74100
   49    54    58    70.00000  109.06800
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    49    50    80.00000  120.40000
   54    58    63    70.00000  124.00000
   54    58    66    65.00000  117.92700
   58    54    55    85.00000  110.90400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    73    90.00000  110.39200
   65    63    64    35.00000  117.00000
   66    58    63    70.00000  124.00000
   66    73    74    55.00000  108.50000
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   46    39    44    70.00000  124.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    59    58.35000  112.70000
   51    56    61    50.00000  109.50000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    69    58.35000  112.70000
   56    61    62    55.00000  108.50000
   59    38    39    70.00000  112.02700
   59    56    57    37.50000  110.70000
   59    69    70    37.50000  110.70000
   59    69    71    37.50000  110.70000
   59    69    72    37.50000  110.70000
   69    59    60    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    59    50.00000  109.50000
   40    38    39    70.00000  112.02700
   40    38    59    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.01700  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    59   0.44750  1.0 1.0
   29    33    38    59  -0.17800 -1.0 2.0
   29    33    38    59   0.20200  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    39    44   0.09850  1.0 1.0
   33    38    39    44   0.15250 -1.0 2.0
   33    38    39    44  -0.50650  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    59    56   0.56750  1.0 1.0
   33    38    59    56  -0.07550 -1.0 2.0
   33    38    59    56   0.20000  1.0 3.0
   33    38    59    60   0.15000  1.0 3.0
   33    38    59    69   0.56750  1.0 1.0
   33    38    59    69  -0.07550 -1.0 2.0
   33    38    59    69   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    43   0.15000  1.0 3.0
   33    54    58    63   0.09850  1.0 1.0
   33    54    58    63   0.15250 -1.0 2.0
   33    54    58    63  -0.50650  1.0 3.0
   33    54    58    66   0.46850  1.0 1.0
   33    54    58    66   0.08550 -1.0 2.0
   33    54    58    66   0.09800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    59   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    54    49  -0.11250  1.0 3.0
   34    33    54    55   0.23400  1.0 3.0
   34    33    54    58   0.15000  1.0 3.0
   38    33    54    49  -0.95700  1.0 1.0
   38    33    54    49  -0.18200 -1.0 2.0
   38    33    54    49   0.29450  1.0 3.0
   38    33    54    55   0.62750  1.0 1.0
   38    33    54    55  -0.30950 -1.0 2.0
   38    33    54    55   0.27300  1.0 3.0
   38    33    54    58   0.34400  1.0 1.0
   38    33    54    58   0.09450 -1.0 2.0
   38    33    54    58   0.11100  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    49   7.00000 -1.0 2.0
   38    39    46    47   0.34800  1.0 3.0
   38    39    46    48   0.34800  1.0 3.0
   38    39    46    51   0.46850  1.0 1.0
   38    39    46    51   0.08550 -1.0 2.0
   38    39    46    51   0.09800  1.0 3.0
   38    59    69    70   0.15000  1.0 3.0
   38    59    69    71   0.15000  1.0 3.0
   38    59    69    72   0.15000  1.0 3.0
   39    38    59    56   0.34400  1.0 1.0
   39    38    59    56   0.09450 -1.0 2.0
   39    38    59    56   0.11100  1.0 3.0
   39    38    59    60   0.15000  1.0 3.0
   39    38    59    69   0.34400  1.0 1.0
   39    38    59    69   0.09450 -1.0 2.0
   39    38    59    69   0.11100  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    44    49    50   1.00000 -1.0 2.0
   39    44    49    54  -0.33500  1.0 1.0
   39    44    49    54   1.06600 -1.0 2.0
   39    44    49    54  -0.14000  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    53   0.15000  1.0 3.0
   39    46   -51    56   0.34400  1.0 1.0
   39    46   -51    56   0.09450 -1.0 2.0
   39    46   -51    56   0.11100  1.0 3.0
   44    39    46    47   0.00000  1.0 1.0
   44    39    46    48   0.00000  1.0 1.0
   44    39    46    51   0.09850  1.0 1.0
   44    39    46    51   0.15250 -1.0 2.0
   44    39    46    51  -0.50650  1.0 3.0
   44    49   -54    33   0.65300  1.0 1.0
   44    49   -54    33  -0.03850 -1.0 2.0
   44    49   -54    33   0.33900  1.0 3.0
   44    49    54    55   0.65300  1.0 1.0
   44    49    54    55  -0.03850 -1.0 2.0
   44    49    54    55   0.33900  1.0 3.0
   44    49    54    58   0.65300  1.0 1.0
   44    49    54    58  -0.03850 -1.0 2.0
   44    49    54    58   0.33900  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54   0.04550  1.0 1.0
   45    44    49    54   0.83000 -1.0 2.0
   45    44    49    54  -0.04000  1.0 3.0
   49    54    58    63  -0.51250  1.0 1.0
   49    54    58    63  -0.88800 -1.0 2.0
   49    54    58    63   0.08850  1.0 3.0
   49    54    58    66   0.17250  1.0 1.0
   49    54    58    66  -0.04100 -1.0 2.0
   49    54    58    66  -0.33850  1.0 3.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    55   0.30150 -1.0 2.0
   50    49    54    58   0.30150 -1.0 2.0
   54    33   -38    39   0.34400  1.0 1.0
   54    33   -38    39   0.09450 -1.0 2.0
   54    33   -38    39   0.11100  1.0 3.0
   54    33    38    59   0.56750  1.0 1.0
   54    33    38    59  -0.07550 -1.0 2.0
   54    33    38    59   0.20000  1.0 3.0
   54    33    38    40   0.56750  1.0 1.0
   54    33    38    40  -0.07550 -1.0 2.0
   54    33    38    40   0.20000  1.0 3.0
   54    58    63    64   7.00000 -1.0 2.0
   54    58    63    65   7.00000 -1.0 2.0
   54    58    66    67   0.34800  1.0 3.0
   54    58    66    68   0.34800  1.0 3.0
   54    58    66    73   0.18000  1.0 1.0
   54    58    66    73   0.16450 -1.0 2.0
   54    58    66    73   0.04450  1.0 3.0
   55    54    58    63   0.39000  1.0 1.0
   55    54    58    63  -0.05800 -1.0 2.0
   55    54    58    63  -0.55150  1.0 3.0
   55    54    58    66   0.09700  1.0 1.0
   55    54    58    66   0.15600 -1.0 2.0
   55    54    58    66  -0.50800  1.0 3.0
   58    66    73    74  -0.07800  1.0 1.0
   58    66    73    74  -0.21500 -1.0 2.0
   58    66    73    74  -0.03150  1.0 3.0
   63    58    66    67   0.00000  1.0 1.0
   63    58    66    68   0.00000  1.0 1.0
   63    58    66    73   0.67800  1.0 1.0
   63    58    66    73   0.47050 -1.0 2.0
   63    58    66    73  -0.62500  1.0 3.0
   66    58    63    64   7.00000 -1.0 2.0
   66    58    63    65   7.00000 -1.0 2.0
   67    66    73    74   0.19450  1.0 3.0
   68    66    73    74   0.19450  1.0 3.0
   46    39    44    45   7.00000 -1.0 2.0
   46    39    44    49   7.00000 -1.0 2.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    59   0.56750  1.0 1.0
   46    51    56    59  -0.07550 -1.0 2.0
   46    51    56    59   0.20000  1.0 3.0
   46    51    56    61   0.86500  1.0 1.0
   46    51    56    61  -0.17500 -1.0 2.0
   46    51    56    61   0.20800  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56   -59    38   0.56750  1.0 1.0
   51    56   -59    38  -0.07550 -1.0 2.0
   51    56   -59    38   0.20000  1.0 3.0
   51    56    59    60   0.15000  1.0 3.0
   51    56    59    69   0.56750  1.0 1.0
   51    56    59    69  -0.07550 -1.0 2.0
   51    56    59    69   0.20000  1.0 3.0
   51    56    61    62  -0.11600  1.0 1.0
   51    56    61    62  -0.09450 -1.0 2.0
   51    56    61    62   0.21250  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   52    51    56    61   0.23400  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    51    56    61   0.23400  1.0 3.0
   56    59    69    70   0.15000  1.0 3.0
   56    59    69    71   0.15000  1.0 3.0
   56    59    69    72   0.15000  1.0 3.0
   57    56    59    38   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    69   0.15000  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   59    38    39    44   0.09850  1.0 1.0
   59    38    39    44   0.15250 -1.0 2.0
   59    38    39    44  -0.50650  1.0 3.0
   59    38   -39    46   0.46850  1.0 1.0
   59    38   -39    46   0.08550 -1.0 2.0
   59    38   -39    46   0.09800  1.0 3.0
   59    38    40    41   0.15000  1.0 3.0
   59    38    40    42   0.15000  1.0 3.0
   59    38    40    43   0.15000  1.0 3.0
   59    56    61    62  -0.11600  1.0 1.0
   59    56    61    62  -0.09450 -1.0 2.0
   59    56    61    62   0.21250  1.0 3.0
   60    59    69    70   0.15000  1.0 3.0
   60    59    69    71   0.15000  1.0 3.0
   60    59    69    72   0.15000  1.0 3.0
   61    56    59    38   0.86500  1.0 1.0
   61    56    59    38  -0.17500 -1.0 2.0
   61    56    59    38   0.20800  1.0 3.0
   61    56    59    60   0.23400  1.0 3.0
   61    56    59    69   0.86500  1.0 1.0
   61    56    59    69  -0.17500 -1.0 2.0
   61    56    59    69   0.20800  1.0 3.0
   40    38    39    44   0.09850  1.0 1.0
   40    38    39    44   0.15250 -1.0 2.0
   40    38    39    44  -0.50650  1.0 3.0
   40    38    39    46   0.46850  1.0 1.0
   40    38    39    46   0.08550 -1.0 2.0
   40    38    39    46   0.09800  1.0 3.0
   40    38    59    56   0.56750  1.0 1.0
   40    38    59    56  -0.07550 -1.0 2.0
   40    38    59    56   0.20000  1.0 3.0
   40    38    59    60   0.15000  1.0 3.0
   40    38    59    69   0.56750  1.0 1.0
   40    38    59    69  -0.07550 -1.0 2.0
   40    38    59    69   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
   38    46    39    44   1.10000 -1.0 2.0
   49    45    44    39   1.10000 -1.0 2.0
   44    54    49    50  10.50000 -1.0 2.0
   54    66    58    63  15.00000 -1.0 2.0
   64    65    63    58  15.00000 -1.0 2.0
END
