* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    219     408
    1     0 S   NP   _N1_     1    28.88871    95.26439   -21.86052
    2     1 S   H    _HN1     2     1.02807   100.62522  -124.12646
    3     1 S   H    _H1_     3     1.02857    80.04952   -17.29209
    4     1 S   H    _H2_     4     1.02945    32.62113   129.50358
    5     1 S   CT   _CA1     5     1.50499   138.65166    93.67621
    6     5 S   HC   _HA1     6     1.09693   104.61221    82.72170
    7     5 S   CO3  _C1_     7     1.54333   110.82514   -33.24007
    8     7 S   O2Z  _O11     8     1.26009   116.68772  -114.38377
    9     7 S   O2Z  _O12     9     1.26569   113.77034    64.34097
   10     5 S   CT   _CB1    10     1.53088   106.99227  -161.28118
   11    10 S   HC   HB11    11     1.09847   109.86513   -43.15210
   12    10 S   HC   HB12    12     1.09768   110.31141    73.49256
   13    10 S   CT   _CG1    13     1.53016   112.33856  -163.63376
   14    13 S   HC   HG11    14     1.09465   111.02212   -61.38474
   15    13 S   HC   HG12    15     1.09670   109.67726    57.74768
   16    13 S   C    _CD1    16     1.51784   112.04407   178.35920
   17    16 S   O    _OE1    17     1.22739   123.25702    10.59249
   18    16 S   N    _N2_    18     1.38582   111.74944  -169.95186
   19    18 S   H    _HN2    19     1.01616   118.97236     3.41850
   20    18 S   CT1  _CA2    20     1.46327   123.46712  -179.94065
   21    20 S   HC   _HA2    21     1.09723   109.40773     4.80391
   22    20 S   C    _C2_    22     1.53521   108.87658  -110.97187
   23    22 S   O    _O2_    23     1.23073   122.21591  -148.79927
   24    20 S   CT   _CB2    32     1.53333   111.05463   126.73449
   25    24 S   HC   HB21    33     1.09563   109.18079    56.48995
   26    24 S   HC   HB22    34     1.09489   111.02441   175.22693
   27    22 S   N    _N3_    24     1.38312   113.80329    38.71321
   28    27 S   H    _HN3    25     1.01572   119.59337    -3.49256
   29    24 S   S    _SG2    35     1.82830   111.26631   -64.92681
   30    27 S   CT   _CA3    26     1.45284   123.20913   177.13474
   31    30 S   HC   HA31    27     1.09551   107.52309   -63.90749
   32    30 S   HC   HA32    28     1.09556   107.95984    52.51674
   33    29 S   CT   _C18    36     1.82299    99.55887   154.46875
   34    33 S   HC   _H19    37     1.09410   111.18903   -13.33826
   35    33 S   HC   _H20    38     1.09438   107.19623   102.74751
   36    30 S   CO3  _C3_    29     1.52962   114.10540   174.47554
   37    36 S   O2Z  _O31    30     1.26378   116.08325    -1.48911
   38    36 S   O2Z  _O32    31     1.26437   114.40379   178.55572
   39    33 S   CM   _C16    39     1.50249   110.66391  -134.84870
   40    39 S   CMA  _C17    40     1.35116   127.20867  -118.08833
   41    40 S   OM   _O35    41     1.26292   128.11752     0.31027
   42    40 S   OS   _O34    42     1.42294   109.57305   178.72881
   43    42 S   CT   _C7_    43     1.44266   105.80991    18.88754
   44    43 S   HC   _H4_    44     1.09569   106.20554    90.46674
   45    43 S   CT   _C6_    45     1.53007   108.05455  -151.29968
   46    45 S   HC   _H10    46     1.09947   108.46339    60.61330
   47    45 S   HC   _H11    47     1.09902   108.05401   -52.05828
   48    39 S   CT   _C8_    62     1.50225   122.08043    61.14937
   49    48 S   HC   _H5_    63     1.09812   107.14275   -80.62133
   50    45 S   CT   _C5_    48     1.54727   117.08916  -174.97215
   51    50 S   HC   _H3_    49     1.09567   108.14532    70.73674
   52    50 S   CT   _C11    50     1.54817   112.22612   -50.86971
   53    52 S   HC   _H6_    51     1.09970   107.26763   -48.35216
   54    50 S   CT   _C4_    68     1.53780   107.54749  -174.94619
   55    54 S   HC   _H7_    69     1.09525   111.31764    69.89507
   56    54 S   HC   _H8_    70     1.09572   110.84154   -50.25740
   57    54 S   HC   _H9_    71     1.09432   111.34036  -168.94111
   58    52 S   CM   _C12    52     1.51086   117.57827  -165.12620
   59    58 S   HC   _H14    53     1.08203   123.24638    40.47663
   60    58 S   CM   _C13    54     1.33490   114.58793  -147.39318
   61    60 S   HC   _H15    55     1.07500   128.84474  -174.42002
   62    60 S   CO4  _C14    56     1.47025   105.22643     5.21019
   63    62 S   O    _O33    57     1.22193   122.75733  -169.83678
   64    52 S   CT   _C10    58     1.55734   114.85912    74.39842
   65    64 S   CT   _C9_    59     1.53925   114.35170   -87.11473
   66    65 S   HC   _H12    60     1.09694   109.19054   -92.45426
   67    65 S   HC   _H13    61     1.09870   109.36516   153.49163
   68    64 S   CT   _C15    64     1.54547   114.85803    42.51140
   69    68 S   HC   _H16    65     1.09188   112.66683   -72.98997
   70    68 S   HC   _H17    66     1.09712   110.74697   167.10701
   71    68 S   HC   _H18    67     1.09638   111.93055    48.32630
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  15   6   5   9
   4  14   8  19   8   5   2   1   1   8   4   6   3   9   3   7
   6   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    65    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    65    66    67    48    49  
   41    42    43    44    45    65    48    49  
   42    43    48  
   43    44    45    46    47    50    65    48    49  
   44    45    46    47    50    51    52    64    65    66    67    48    49    54  
   45    46    47    50    65    48    49  
   46    47    50    51    52    53    58    64    65    48    49    54    55    56    57  
   47    50    51    52    48    54  
   50    51    52    48    54  
   49    68    50    52    62    64    65    66    67  
   64    65    66    67  
   51    52    53    58    59    60    62    64    65    68    54    55    56    57  
   52    53    58    64    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    67    68    69    70    71    54    55    56    57  
   58    59    60    62    64    65    68    54  
   55    56    57    58    64  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    68  
   60    61    62    64  
   61    62    63    64    65    68  
   62    63    64  
   63    64    65    66    67    68    69    70    71  
   64    65    68  
   65    66    67    68    69    70    71  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    58   317.000  1.510
   52    64   268.000  1.529
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   320.000  1.462
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   268.000  1.529
   64    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    48   268.000  1.529
   48    49   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    65    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    65    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    58.35000  112.70000
   45    50    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    58    70.00000  112.02700
   50    52    64    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    35.00000  117.00000
   52    58    60    70.00000  124.00000
   52    64    62    63.00000  111.10000
   52    64    65    58.35000  112.70000
   52    64    68    58.35000  112.70000
   58    52    53    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    62    65.00000  118.96000
   60    58    59    35.00000  120.00000
   60    62    63    80.00000  123.72100
   60    62    64    65.00000  118.62400
   62    60    61    40.00000  117.72500
   62    64    65    63.00000  111.10000
   62    64    68    63.00000  111.10000
   64    52    53    37.50000  110.70000
   64    52    58    70.00000  112.02700
   64    62    63    80.00000  120.40000
   64    65    66    37.50000  110.70000
   64    65    67    37.50000  110.70000
   64    65    48    58.35000  112.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   65    48    49    37.50000  110.70000
   67    65    66    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    65    66    37.50000  110.70000
   48    65    67    37.50000  110.70000
   68    64    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    65   0.46850  1.0 1.0
   33    39    48    65   0.08550 -1.0 2.0
   33    39    48    65   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    65   0.09850  1.0 1.0
   40    39    48    65   0.15250 -1.0 2.0
   40    39    48    65  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    65   0.62750  1.0 1.0
   42    43    48    65  -0.30950 -1.0 2.0
   42    43    48    65   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.56750  1.0 1.0
   43    45    50    52  -0.07550 -1.0 2.0
   43    45    50    52   0.20000  1.0 3.0
   43    45    50    54   0.56750  1.0 1.0
   43    45    50    54  -0.07550 -1.0 2.0
   43    45    50    54   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    65   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    65   0.56750  1.0 1.0
   45    43    48    65  -0.07550 -1.0 2.0
   45    43    48    65   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    52    53   0.15000  1.0 3.0
   45    50    52    58   0.34400  1.0 1.0
   45    50    52    58   0.09450 -1.0 2.0
   45    50    52    58   0.11100  1.0 3.0
   45    50    52    64   0.56750  1.0 1.0
   45    50    52    64  -0.07550 -1.0 2.0
   45    50    52    64   0.20000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    57   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60   0.09850  1.0 1.0
   50    52    58    60   0.15250 -1.0 2.0
   50    52    58    60  -0.50650  1.0 3.0
   50    52    64    62  -0.95700  1.0 1.0
   50    52    64    62  -0.18200 -1.0 2.0
   50    52    64    62   0.29450  1.0 3.0
   50    52    64    65   0.56750  1.0 1.0
   50    52    64    65  -0.07550 -1.0 2.0
   50    52    64    65   0.20000  1.0 3.0
   50    52    64    68   0.56750  1.0 1.0
   50    52    64    68  -0.07550 -1.0 2.0
   50    52    64    68   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    52    64   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58   -60    62   7.00000 -1.0 2.0
   52    64    65    66   0.15000  1.0 3.0
   52    64    65    67   0.15000  1.0 3.0
   52    64    65    48   0.56750  1.0 1.0
   52    64    65    48  -0.07550 -1.0 2.0
   52    64    65    48   0.20000  1.0 3.0
   52    64    68    69   0.15000  1.0 3.0
   52    64    68    70   0.15000  1.0 3.0
   52    64    68    71   0.15000  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    64    62  -0.11250  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    68   0.15000  1.0 3.0
   58    52   -64    62  -0.98800  1.0 1.0
   58    52   -64    62   0.48800 -1.0 2.0
   58    52   -64    62   0.76800  1.0 3.0
   58    52    64    65   0.34400  1.0 1.0
   58    52    64    65   0.09450 -1.0 2.0
   58    52    64    65   0.11100  1.0 3.0
   58    52    64    68   0.34400  1.0 1.0
   58    52    64    68   0.09450 -1.0 2.0
   58    52    64    68   0.11100  1.0 3.0
   58    60    62    63   1.00000 -1.0 2.0
   58    60   -62    64  -0.33500  1.0 1.0
   58    60   -62    64   1.06600 -1.0 2.0
   58    60   -62    64  -0.14000  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62   -64    52   0.65300  1.0 1.0
   60    62   -64    52  -0.03850 -1.0 2.0
   60    62   -64    52   0.33900  1.0 3.0
   60    62    64    65   0.65300  1.0 1.0
   60    62    64    65  -0.03850 -1.0 2.0
   60    62    64    65   0.33900  1.0 3.0
   60    62    64    68   0.65300  1.0 1.0
   60    62    64    68  -0.03850 -1.0 2.0
   60    62    64    68   0.33900  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.04550  1.0 1.0
   61    60    62    64   0.83000 -1.0 2.0
   61    60    62    64  -0.04000  1.0 3.0
   62    64    65    66  -0.11250  1.0 3.0
   62    64    65    67  -0.11250  1.0 3.0
   62    64    65    48  -0.95700  1.0 1.0
   62    64    65    48  -0.18200 -1.0 2.0
   62    64    65    48   0.29450  1.0 3.0
   62    64    68    69  -0.11250  1.0 3.0
   62    64    68    70  -0.11250  1.0 3.0
   62    64    68    71  -0.11250  1.0 3.0
   63    62    64    52   0.30150 -1.0 2.0
   63    62    64    65   0.30150 -1.0 2.0
   63    62    64    68   0.30150 -1.0 2.0
   64    52    58    59   0.00000  1.0 1.0
   64    52   -58    60   0.09850  1.0 1.0
   64    52   -58    60   0.15250 -1.0 2.0
   64    52   -58    60  -0.50650  1.0 3.0
   64    65    48    39   0.34400  1.0 1.0
   64    65    48    39   0.09450 -1.0 2.0
   64    65    48    39   0.11100  1.0 3.0
   64    65    48    43   0.56750  1.0 1.0
   64    65    48    43  -0.07550 -1.0 2.0
   64    65    48    43   0.20000  1.0 3.0
   64    65    48    49   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   66    65    48    39   0.15000  1.0 3.0
   66    65    48    43   0.15000  1.0 3.0
   66    65    48    49   0.15000  1.0 3.0
   67    65    48    39   0.15000  1.0 3.0
   67    65    48    43   0.15000  1.0 3.0
   67    65    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   68    64    65    66   0.15000  1.0 3.0
   68    64    65    67   0.15000  1.0 3.0
   68    64    65    48   0.56750  1.0 1.0
   68    64    65    48  -0.07550 -1.0 2.0
   68    64    65    48   0.20000  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    58   0.34400  1.0 1.0
   54    50    52    58   0.09450 -1.0 2.0
   54    50    52    58   0.11100  1.0 3.0
   54    50    52    64   0.56750  1.0 1.0
   54    50    52    64  -0.07550 -1.0 2.0
   54    50    52    64   0.20000  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    59    58    60   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
END
