* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    125    180     359
    1     0 S   NP   _N1_     1    28.58352    97.48688   -21.97595
    2     1 S   H    _HN1     2     1.02947    61.54140    24.77142
    3     1 S   H    _H1_     3     1.02826    52.17571   172.34755
    4     1 S   H    _H2_     4     1.02795    98.52224   -81.56563
    5     1 S   CT   _CA1     5     1.50123   148.97125   107.21965
    6     5 S   HC   _HA1     6     1.09573   105.17076   109.22605
    7     5 S   CO3  _C1_     7     1.53770   112.48554   -11.00620
    8     7 S   O2Z  _O11     8     1.26376   115.00597   -42.15776
    9     7 S   O2Z  _O12     9     1.26238   114.95094   136.89847
   10     5 S   CT   _CB1    10     1.53052   107.40520  -132.78167
   11    10 S   HC   HB11    11     1.09841   109.34562   -49.32629
   12    10 S   HC   HB12    12     1.09811   110.46779    67.27608
   13    10 S   CT   _CG1    13     1.53012   112.62739  -170.25872
   14    13 S   HC   HG11    14     1.09570   110.72779   -67.08941
   15    13 S   HC   HG12    15     1.09671   109.69912    52.16081
   16    13 S   C    _CD1    16     1.51806   112.01029   172.65853
   17    16 S   O    _OE1    17     1.22737   123.09811    11.99242
   18    16 S   N    _N2_    18     1.38575   111.74915  -168.10143
   19    18 S   H    _HN2    19     1.01556   119.03895     1.02736
   20    18 S   CT1  _CA2    20     1.46316   123.54924   176.58150
   21    20 S   HC   _HA2    21     1.09697   109.40842     6.18853
   22    20 S   C    _C2_    22     1.53717   108.20222  -109.43870
   23    22 S   O    _O2_    23     1.23063   122.53379  -144.61175
   24    20 S   CT   _CB2    32     1.53385   111.47151   128.34790
   25    24 S   HC   HB21    33     1.09431   109.61894    55.28658
   26    24 S   HC   HB22    34     1.09024   109.40350   173.59182
   27    22 S   N    _N3_    24     1.38452   113.59192    42.13314
   28    27 S   H    _HN3    25     1.01527   119.43535    -0.90741
   29    24 S   S    _SG2    35     1.82920   111.11001   -65.16972
   30    27 S   CT   _CA3    26     1.45259   123.33848   177.58119
   31    30 S   HC   HA31    27     1.09542   107.27693   -71.97478
   32    30 S   HC   HA32    28     1.09555   108.30154    44.54238
   33    29 S   CT   _C11    36     1.87250   102.80017  -166.73810
   34    33 S   OM   _O38    37     1.32602   105.17647  -158.37969
   35    30 S   CO3  _C3_    29     1.53003   114.08524   166.83532
   36    35 S   O2Z  _O31    30     1.26389   116.18009     1.92040
   37    35 S   O2Z  _O32    31     1.26464   114.41994  -177.94300
   38    33 S   CT   _C12    38     1.57538   113.16111   -40.78464
   39    38 S   HC   _H3_    39     1.09357   108.54428    64.72279
   40    33 S   OS   _O34    48     1.46353   116.20080    86.35043
   41    38 S   CT   _C13    40     1.53854   116.81190   -59.63395
   42    41 S   HC   _H9_    41     1.09712   110.47556   -75.52074
   43    41 S   HC   _H10    42     1.09453   112.01860    44.58233
   44    38 S   OH   _O37    46     1.44266   109.94156   178.43314
   45    44 S   HO   _H11    47     0.97323   106.14584   -42.40375
   46    40 S   CA   _C10    49     1.37039   119.94368   -35.89911
   47    41 S   CO3  _C14    43     1.53246   111.37412   163.66327
   48    47 S   O2Z  _O36    44     1.26429   115.03079   124.58496
   49    47 S   O2Z  _O35    45     1.26375   115.69257   -57.17630
   50    46 S   CA   _C5_    50     1.40321   119.89895   -93.71402
   51    50 S   CA   _C6_    51     1.39909   119.19123  -178.57797
   52    51 S   HA   _H7_    52     1.08668   120.81286  -179.65908
   53    50 S   OS   _O33    69     1.37003   116.54610    -0.67231
   54    51 S   CA   _C7_    53     1.40185   120.74250     1.29316
   55    53 S   CT   _C4_    70     1.42230   117.00514   164.39959
   56    55 S   HC   _H4_    71     1.09429   107.69104  -170.44622
   57    55 S   HC   _H5_    72     1.09454   110.86554    71.98705
   58    55 S   HC   _H6_    73     1.09534   111.45160   -52.57505
   59    54 S   CA   _C8_    54     1.40145   119.35354     2.65815
   60    59 S   HA   _H8_    55     1.08622   118.66916   175.59856
   61    54 S   CM   _C16    62     1.47024   118.81309   177.93891
   62    61 S   HC   _H15    63     1.08856   114.51850   -45.61714
   63    46 S   CA   _C9_    56     1.40552   119.25110    92.50075
   64    61 S   CM   _C17    64     1.34059   127.71634   134.67733
   65    64 S   HC   _H16    65     1.09028   117.50503   177.35973
   66    63 S   OS   _O39    57     1.37231   116.39728     0.03426
   67    64 S   CO3  _C18    66     1.53213   125.81365    -2.22686
   68    67 S   O2Z  _O41    67     1.26196   116.29325   -45.74454
   69    67 S   O2Z  _O40    68     1.26519   114.05940   135.86456
   70    66 S   CT   _C15    58     1.42243   116.81032  -164.87615
   71    70 S   HC   _H12    59     1.09427   107.71405   170.50013
   72    70 S   HC   _H13    60     1.09546   111.51195    52.58703
   73    70 S   HC   _H14    61     1.09461   110.85214   -71.97615
  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
  13   6   2   1   1  11   7   9   7   5   4   2   1  11   2   1
   1  12  10   4   6   9   3   2   1   1   7   3   7   3   5   4
   3   4   2   1   1   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    41    44    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    47    44    45    40    46    50    63  
   38    39    41    44    40    46  
   36    37  
   37  
    0  
   39    41    42    43    47    48    49    44    45    40    46  
   41    42    43    47    44    45    40  
   46    50    51    59    63    66    53    41    44  
   42    43    47    48    49    44    45  
   43    47    48    49    44  
   47    48    49    44  
   45    47  
    0  
   50    51    52    54    59    60    63    66    70    53    55  
   48    49  
   49  
    0  
   51    52    54    59    63    66    61    53    55    56    57    58  
   52    54    59    60    63    61    62    64    53    55  
   54    59    61    53  
   55    56    57    58    54    63  
   59    60    63    66    61    62    64    65    67  
   56    57    58  
   57    58  
   58  
    0  
   60    63    66    70    61    62    64  
   63    66    61  
   62    64    65    67    68    69    63  
   64    65    67  
   66    70    71    72    73  
   65    67    68    69  
   67    68    69  
   70    71    72    73  
   68    69  
   69  
    0  
   71    72    73  
   72    73  
   73  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   656.000  1.250
   47    49   656.000  1.250
   44    45   553.000  0.945
   40    46   450.000  1.364
   46    50   469.000  1.400
   46    63   469.000  1.400
   50    51   469.000  1.400
   50    53   450.000  1.364
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    59   469.000  1.400
   54    61   320.000  1.460
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   450.000  1.364
   66    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   61    62   340.000  1.080
   61    64   549.000  1.340
   64    65   340.000  1.080
   64    67   230.000  1.545
   67    68   656.000  1.250
   67    69   656.000  1.250
   53    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    44    50.00000  109.50000
   33    40    46    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    47    70.00000  109.69300
   38    44    45    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    47    48    70.00000  117.00000
   41    47    49    70.00000  117.00000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   49    47    48    80.00000  126.00000
   44    38    39    35.00000  109.50000
   44    38    41    50.00000  109.50000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    46    50    70.00000  120.00000
   40    46    63    70.00000  120.00000
   46    50    51    63.00000  120.00000
   46    50    53    70.00000  120.00000
   46    63    59    63.00000  120.00000
   46    63    66    70.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    54    63.00000  120.00000
   50    53    55    75.00000  111.00000
   51    54    59    63.00000  120.00000
   51    54    61    60.00000  120.93500
   54    51    52    35.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    63    63.00000  120.00000
   54    61    62    40.00000  117.26300
   54    61    64    60.00000  123.20500
   59    63    66    70.00000  120.00000
   63    46    50    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    70    75.00000  111.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   61    54    59    60.00000  120.93500
   61    64    65    35.00000  120.00000
   61    64    67    55.00000  124.75400
   64    61    62    35.00000  120.00000
   64    67    68    85.00000  113.83300
   64    67    69    85.00000  113.83300
   67    64    65    40.00000  118.53000
   69    67    68    80.00000  126.00000
   53    50    51    70.00000  120.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    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    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    46   0.14700  1.0 1.0
   29    33    40    46  -1.16150 -1.0 2.0
   29    33    40    46   0.48700  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    47  -1.63150  1.0 1.0
   33    38    41    47  -0.43550 -1.0 2.0
   33    38    41    47   0.24500  1.0 3.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    40    46    50   1.63200 -1.0 2.0
   33    40    46    63   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    44   3.69350  1.0 1.0
   34    33    38    44  -1.82950 -1.0 2.0
   34    33    40    46  -0.25600  1.0 1.0
   34    33    40    46  -0.40050 -1.0 2.0
   34    33    40    46   0.34700  1.0 3.0
   38    33    40    46  -0.32850  1.0 1.0
   38    33    40    46  -0.35800 -1.0 2.0
   38    33    40    46   0.33950  1.0 3.0
   38    41    47    48   0.41150 -1.0 2.0
   38    41    47    49   0.41150 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    47  -0.11250  1.0 3.0
   39    38    44    45   0.19450  1.0 3.0
   41    38    44    45  -0.11600  1.0 1.0
   41    38    44    45  -0.09450 -1.0 2.0
   41    38    44    45   0.21250  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   43    41    47    48   0.00000  1.0 1.0
   43    41    47    49   0.00000  1.0 1.0
   44    38    41    42   0.23400  1.0 3.0
   44    38    41    43   0.23400  1.0 3.0
   44    38    41    47  -5.33000  1.0 1.0
   44    38    41    47  -0.54250 -1.0 2.0
   44    38    41    47  -0.07300  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    44   3.69350  1.0 1.0
   40    33    38    44  -1.82950 -1.0 2.0
   40    46    50    51   3.62500 -1.0 2.0
   40    46    50    53   3.62500 -1.0 2.0
   40    46    63    59   3.62500 -1.0 2.0
   40    46    63    66   3.62500 -1.0 2.0
   46    50    51    52   3.62500 -1.0 2.0
   46    50    51    54   3.62500 -1.0 2.0
   46    50    53    55   1.63200 -1.0 2.0
   46    63    66    70   1.63200 -1.0 2.0
   50    46    63    59   3.62500 -1.0 2.0
   50    46    63    66   3.62500 -1.0 2.0
   50    51   -54    59   3.62500 -1.0 2.0
   50    51    54    61   3.62500 -1.0 2.0
   50    53    55    56   0.08050  1.0 3.0
   50    53    55    57   0.08050  1.0 3.0
   50    53    55    58   0.08050  1.0 3.0
   51    50    53    55   1.63200 -1.0 2.0
   51    54    59    60   3.62500 -1.0 2.0
   51    54    59    63   3.62500 -1.0 2.0
   51    54    61    62   0.56550  1.0 3.0
   51    54    61    64   0.15800  1.0 1.0
   51    54    61    64   1.85350 -1.0 2.0
   51    54    61    64  -0.48700  1.0 3.0
   52    51    54    59   3.62500 -1.0 2.0
   52    51    54    61   3.62500 -1.0 2.0
   54    59   -63    46   3.62500 -1.0 2.0
   54    59    63    66   3.62500 -1.0 2.0
   54    61    64    65   7.00000 -1.0 2.0
   54    61    64    67   7.00000 -1.0 2.0
   59    54    61    62   0.56550  1.0 3.0
   59    54    61    64   0.15800  1.0 1.0
   59    54    61    64   1.85350 -1.0 2.0
   59    54    61    64  -0.48700  1.0 3.0
   59    63    66    70   1.63200 -1.0 2.0
   60    59    63    46   3.62500 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   63    46   -50    51   3.62500 -1.0 2.0
   63    46    50    53   3.62500 -1.0 2.0
   63    66    70    71   0.08050  1.0 3.0
   63    66    70    72   0.08050  1.0 3.0
   63    66    70    73   0.08050  1.0 3.0
   61    54    59    60   3.62500 -1.0 2.0
   61    54    59    63   3.62500 -1.0 2.0
   61    64    67    68  -0.04000 -1.0 2.0
   61    64    67    68  -0.29050  1.0 3.0
   61    64    67    69  -0.04000 -1.0 2.0
   61    64    67    69  -0.29050  1.0 3.0
   62    61    64    65   7.00000 -1.0 2.0
   62    61    64    67   7.00000 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50    51    54   3.62500 -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
   48    41    47    49  10.50000 -1.0 2.0
   50    63    46    40   4.00000 -1.0 2.0
   51    53    50    46   4.00000 -1.0 2.0
   54    52    51    50   1.10000 -1.0 2.0
   59    61    54    51   4.00000 -1.0 2.0
   63    60    59    54   1.10000 -1.0 2.0
   59    66    63    46   4.00000 -1.0 2.0
   54    62    61    64  15.00000 -1.0 2.0
   67    65    64    61  15.00000 -1.0 2.0
   68    64    67    69  10.50000 -1.0 2.0
END
