* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    215     416
    1     0 S   NP   _N1_     1    28.83514    96.33924   -23.14349
    2     1 S   H    _HN1     2     1.02948    72.78981     5.45298
    3     1 S   H    _H1_     3     1.02829    37.29621   161.73305
    4     1 S   H    _H2_     4     1.02794   105.75518   -99.31562
    5     1 S   CT   _CA1     5     1.50111   137.86501   107.15092
    6     5 S   HC   _HA1     6     1.09574   105.19387    91.26371
    7     5 S   CO3  _C1_     7     1.53757   112.33306   -28.99507
    8     7 S   O2Z  _O11     8     1.26369   115.02100   -45.89437
    9     7 S   O2Z  _O12     9     1.26209   114.91319   133.03837
   10     5 S   CT   _CB1    10     1.53041   107.40173  -150.79445
   11    10 S   HC   HB11    11     1.09842   109.38701   -49.47095
   12    10 S   HC   HB12    12     1.09809   110.47697    67.12059
   13    10 S   CT   _CG1    13     1.53009   112.60980  -170.37688
   14    13 S   HC   HG11    14     1.09561   110.73041   -66.25685
   15    13 S   HC   HG12    15     1.09660   109.71858    53.01176
   16    13 S   C    _CD1    16     1.51797   111.88814   173.59473
   17    16 S   O    _OE1    17     1.22764   123.13010    13.11198
   18    16 S   N    _N2_    18     1.38591   111.89606  -167.17349
   19    18 S   H    _HN2    19     1.01588   119.05337     1.51620
   20    18 S   CT1  _CA2    20     1.46282   123.36649   177.41790
   21    20 S   HC   _HA2    21     1.09735   109.26919     5.77095
   22    20 S   C    _C2_    22     1.53642   109.07030  -109.77756
   23    22 S   O    _O2_    23     1.23076   122.18304  -151.73253
   24    20 S   CT   _CB2    32     1.53442   111.46230   127.68815
   25    24 S   HC   HB21    33     1.09335   109.24939    57.65744
   26    24 S   HC   HB22    34     1.09466   109.99798   176.25671
   27    22 S   N    _N3_    24     1.38295   113.90622    35.81746
   28    27 S   H    _HN3    25     1.01549   119.56076    -3.53690
   29    24 S   S    _SG2    35     1.83293   110.89872   -64.18356
   30    27 S   CT   _CA3    26     1.45270   123.30354   177.17527
   31    30 S   HC   HA31    27     1.09547   107.53513   -64.41183
   32    30 S   HC   HA32    28     1.09555   107.97952    52.05221
   33    29 S   CT   _C16    36     1.85333   102.48176   168.14549
   34    30 S   CO3  _C3_    29     1.52973   114.01664   174.03823
   35    34 S   O2Z  _O31    30     1.26387   116.06831    -0.15949
   36    34 S   O2Z  _O32    31     1.26422   114.42316   179.89347
   37    33 S   CM   _C17    37     1.50156   112.04775   -60.63033
   38    33 S   CT   _C15    56     1.55719   108.19194   168.04431
   39    38 S   HC   _H19    57     1.09646   109.57539    33.89955
   40    38 S   HC   _H20    58     1.10062   109.45810   -78.91717
   41    37 S   CMA  _C18    38     1.35084   111.22494   114.03916
   42    41 S   OM   _O36    39     1.26237   128.77584  -179.84298
   43    37 S   CT   _C7_    43     1.53427   120.51083   -67.03852
   44    43 S   HC   _H3_    44     1.09526   104.63890     7.25891
   45    41 S   OS   _O34    40     1.42750   109.64051     0.25101
   46    43 S   CT   _C8_    45     1.58398   110.72354  -108.23745
   47    46 S   OM   _O38    46     1.32131   111.85828  -118.44551
   48    46 S   HC   _H4_    47     1.09651   107.67336    10.70068
   49    43 S   CT   _C6_    67     1.55707   111.10846   117.86449
   50    49 S   HC   _H11    68     1.09677   109.20026   -37.54591
   51    49 S   HC   _H12    69     1.09641   111.36622    78.65137
   52    33 S   CO4  _C19    41     1.51042   108.17029    48.46030
   53    52 S   O    _O35    42     1.22493   125.64340    62.80847
   54    46 S   CO4  _C9_    48     1.55082   110.45418   122.00250
   55    54 S   O    _O33    49     1.23645   123.73165   123.20801
   56    49 S   CT   _C5_    70     1.53412   112.97990  -156.94090
   57    56 S   HC   _H9_    71     1.09411   111.08817   -59.49633
   58    56 S   HC   _H10    72     1.09634   109.65672    58.62302
   59    54 S   CT   _C10    50     1.52660   118.33169   -57.14617
   60    59 S   HC   _H13    51     1.09210   110.02931    70.89528
   61    59 S   HC   _H14    52     1.10010   105.92235  -178.06538
   62    56 S   CT   _C4_    73     1.52122   111.21815   179.15004
   63    62 S   HC   _H6_    74     1.09455   111.05861   -60.04183
   64    62 S   HC   _H7_    75     1.09419   110.25039  -179.83098
   65    62 S   HC   _H8_    76     1.09463   110.96632    60.49586
   66    59 S   CT   _C11    53     1.53532   115.61406   -58.86734
   67    66 S   HC   _H5_    54     1.09319   107.20085   -47.44480
   68    66 S   CM   _C12    55     1.52260   117.67603    78.16127
   69    66 S   OH   _O37    65     1.43395   107.79252  -161.79449
   70    69 S   HO   _H21    66     0.97228   107.47061    62.90817
   71    68 S   CM   _C13    59     1.35065   123.33777  -135.83187
   72    71 S   HC   _H15    60     1.08773   118.33027  -177.56554
   73    71 S   CT   _C14    61     1.49498   128.84865     1.39479
   74    73 S   HC   _H16    62     1.09503   109.31749  -129.57269
   75    73 S   HC   _H17    63     1.09432   109.69550   112.18888
   76    73 S   HC   _H18    64     1.09074   114.20060    -9.67498
  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  11   5   4   3
  16   2   1   1  19  15   5   4   8   3  16   8   2  12   5   4
  10   5   4   2   1   8   4   6   5   4   8   5   4   3   2   1
   1   7   4   8   2   1   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    45    52    53    43    68    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    52    53    43    44    46    66    68    38    39    40    71    49  
   35    36  
   36  
    0  
   41    42    45    52    53    43    44    46    47    48    54    68    38    39    40    49    50    51    56  
   39    40    71    72    73    69    41    43    45    52    53    59    66    67    68  
   40    71    52    66    68  
   71    52    66    68  
   42    45    52    53    43    44    46    49  
   45    52    43  
   44    46    47    48    54    55    59    49    50    51    56    57    58    62    45    52  
   46    47    48    54    49    50    51    56  
   52    53  
   47    48    54    55    59    60    61    66    49    50    51    56  
   48    54    55    59    49  
   54    55    59    49  
   50    51    56    57    58    62    63    64    65    54  
   51    56    57    58    62  
   56    57    58    62  
   53    68  
    0  
   55    59    60    61    66    67    68    69  
   59    60    61    66  
   57    58    62    63    64    65  
   58    62    63    64    65  
   62    63    64    65  
   60    61    66    67    68    71    69    70  
   61    66    67    68    69  
   66    67    68    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    71    72    73    69    70  
   68    71    69    70  
   71    72    73    74    75    76    69    70  
   70    71  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.565000   1.5900   1.4000   0.020110767  -0.896042159
   46   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    52   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    52   214.000  1.327
   52    53   570.000  1.229
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   268.000  1.529
   46    47   570.000  1.307
   46    48   340.000  1.090
   46    54   317.000  1.522
   54    55   570.000  1.229
   54    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   317.000  1.510
   66    69   320.000  1.410
   68    38   317.000  1.510
   68    71   549.000  1.340
   38    39   340.000  1.090
   38    40   340.000  1.090
   71    72   340.000  1.080
   71    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    52    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    52    45    81.00000  111.40000
   33    52    53    80.00000  120.40000
   33    38    68    70.00000  112.02700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    45    80.00000  120.01400
   37    43    44    35.00000  109.50000
   37    43    46    70.00000  112.02700
   37    43    49    70.00000  112.02700
   41    45    52    90.00000  114.22900
   45    41    42    65.00000  121.00000
   45    52    53    83.00000  123.40000
   52    33    37    70.00000  109.06800
   43    37    41    70.00000  124.00000
   43    46    47    50.00000  109.50000
   43    46    48    37.50000  110.70000
   43    46    54    63.00000  111.10000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    56    58.35000  112.70000
   46    43    44    37.50000  110.70000
   46    54    55    80.00000  120.40000
   46    54    59    70.00000  116.00000
   48    46    47    45.00000  125.66300
   54    46    47    90.00000  108.74100
   54    46    48    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    66    63.00000  111.10000
   59    54    55    80.00000  120.40000
   59    66    67    37.50000  110.70000
   59    66    68    70.00000  112.02700
   59    66    69    50.00000  109.50000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    68    38    65.00000  117.92700
   66    68    71    70.00000  124.00000
   66    69    70    55.00000  108.50000
   68    66    67    35.00000  109.50000
   68    38    39    35.00000  109.50000
   68    38    40    35.00000  109.50000
   68    71    72    35.00000  120.00000
   68    71    73    70.00000  124.00000
   38    33    37    70.00000  112.02700
   38    33    52    63.00000  111.10000
   40    38    39    33.00000  107.80000
   71    68    38    70.00000  124.00000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    35.00000  117.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    90.00000  110.39200
   49    43    44    37.50000  110.70000
   49    43    46    58.35000  112.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    37.50000  110.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    52    45   0.40000  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    38    68   0.56750  1.0 1.0
   29    33    38    68  -0.07550 -1.0 2.0
   29    33    38    68   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37   -41    45   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    46   0.46850  1.0 1.0
   33    37    43    46   0.08550 -1.0 2.0
   33    37    43    46   0.09800  1.0 3.0
   33    37    43    49   0.46850  1.0 1.0
   33    37    43    49   0.08550 -1.0 2.0
   33    37    43    49   0.09800  1.0 3.0
   37    33   -52    45   0.40000  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    38    68   0.31000  1.0 1.0
   37    33    38    68   0.14700 -1.0 2.0
   37    33    38    68   0.07550  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41   -45    52  -1.93650  1.0 1.0
   37    41   -45    52   2.17750 -1.0 2.0
   37    41   -45    52  -0.40250  1.0 3.0
   37    43    46    47   0.61850  1.0 1.0
   37    43    46    47  -0.22750 -1.0 2.0
   37    43    46    47   0.15300  1.0 3.0
   37    43    46    48   0.15000  1.0 3.0
   37    43    46    54  -0.98800  1.0 1.0
   37    43    46    54   0.48800 -1.0 2.0
   37    43    46    54   0.76800  1.0 3.0
   37    43    49    50   0.15000  1.0 3.0
   37    43    49    51   0.15000  1.0 3.0
   37    43    49    56   0.34400  1.0 1.0
   37    43    49    56   0.09450 -1.0 2.0
   37    43    49    56   0.11100  1.0 3.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    46   0.09850  1.0 1.0
   41    37    43    46   0.15250 -1.0 2.0
   41    37    43    46  -0.50650  1.0 3.0
   41    37    43    49   0.09850  1.0 1.0
   41    37    43    49   0.15250 -1.0 2.0
   41    37    43    49  -0.50650  1.0 3.0
   41    45   -52    33   0.82650  1.0 1.0
   41    45   -52    33   1.69000 -1.0 2.0
   41    45    52    53   3.00000 -1.0 2.0
   42    41    45    52   2.00000 -1.0 2.0
   52    33   -37    41  -0.51250  1.0 1.0
   52    33   -37    41  -0.88800 -1.0 2.0
   52    33   -37    41   0.08850  1.0 3.0
   52    33    37    43   0.17250  1.0 1.0
   52    33    37    43  -0.04100 -1.0 2.0
   52    33    37    43  -0.33850  1.0 3.0
   52    33    38    68  -0.98800  1.0 1.0
   52    33    38    68   0.48800 -1.0 2.0
   52    33    38    68   0.76800  1.0 3.0
   52    33    38    39  -0.11250  1.0 3.0
   52    33    38    40  -0.11250  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    45   7.00000 -1.0 2.0
   43    46    54    55   0.30150 -1.0 2.0
   43    46    54    59   0.60050  1.0 1.0
   43    46    54    59   0.05600 -1.0 2.0
   43    46    54    59   0.26150  1.0 3.0
   43    49    56    57   0.15000  1.0 3.0
   43    49    56    58   0.15000  1.0 3.0
   43    49    56    62   0.56750  1.0 1.0
   43    49    56    62  -0.07550 -1.0 2.0
   43    49    56    62   0.20000  1.0 3.0
   44    43    46    47   0.23400  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    54  -0.11250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    56   0.15000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    51   0.15000  1.0 3.0
   46    43    49    56   0.56750  1.0 1.0
   46    43    49    56  -0.07550 -1.0 2.0
   46    43    49    56   0.20000  1.0 3.0
   46    54    59    60   0.00000  1.0 1.0
   46    54    59    61   0.00000  1.0 1.0
   46    54    59    66   0.60050  1.0 1.0
   46    54    59    66   0.05600 -1.0 2.0
   46    54    59    66   0.26150  1.0 3.0
   47    46    54    55   0.30150 -1.0 2.0
   47    46    54    59   0.55300  1.0 1.0
   47    46    54    59   1.25850 -1.0 2.0
   47    46    54    59  -0.23600  1.0 3.0
   48    46    54    55   0.00000  1.0 1.0
   48    46    54    59   0.00000  1.0 1.0
   54    59    66    67  -0.11250  1.0 3.0
   54    59    66    68  -0.98800  1.0 1.0
   54    59    66    68   0.48800 -1.0 2.0
   54    59    66    68   0.76800  1.0 3.0
   54    59    66    69  -0.09450  1.0 1.0
   54    59    66    69  -1.12950 -1.0 2.0
   54    59    66    69   0.54000  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    66   0.30150 -1.0 2.0
   59    66    68    38   0.46850  1.0 1.0
   59    66    68    38   0.08550 -1.0 2.0
   59    66    68    38   0.09800  1.0 3.0
   59    66    68    71   0.09850  1.0 1.0
   59    66    68    71   0.15250 -1.0 2.0
   59    66    68    71  -0.50650  1.0 3.0
   59    66    69    70  -0.11600  1.0 1.0
   59    66    69    70  -0.09450 -1.0 2.0
   59    66    69    70   0.21250  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    69   0.23400  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    69   0.23400  1.0 3.0
   66    68    38    33   0.46850  1.0 1.0
   66    68    38    33   0.08550 -1.0 2.0
   66    68    38    33   0.09800  1.0 3.0
   66    68    38    39   0.34800  1.0 3.0
   66    68    38    40   0.34800  1.0 3.0
   66    68    71    72   7.00000 -1.0 2.0
   66    68    71    73   7.00000 -1.0 2.0
   67    66    68    38   0.34800  1.0 3.0
   67    66    68    71   0.00000  1.0 1.0
   67    66    69    70   0.19450  1.0 3.0
   68    66    69    70  -0.07800  1.0 1.0
   68    66    69    70  -0.21500 -1.0 2.0
   68    66    69    70  -0.03150  1.0 3.0
   68    71    73    74   0.00000  1.0 1.0
   68    71    73    75   0.00000  1.0 1.0
   68    71    73    76   0.00000  1.0 1.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    52    45   0.36750  1.0 3.0
   38    33    52    53   0.30150 -1.0 2.0
   38    68    71    72   7.00000 -1.0 2.0
   38    68    71    73   7.00000 -1.0 2.0
   71    68    38    33   0.09850  1.0 1.0
   71    68    38    33   0.15250 -1.0 2.0
   71    68    38    33  -0.50650  1.0 3.0
   71    68    38    39   0.00000  1.0 1.0
   71    68    38    40   0.00000  1.0 1.0
   72    71    73    74   0.33100  1.0 3.0
   72    71    73    75   0.33100  1.0 3.0
   72    71    73    76   0.33100  1.0 3.0
   69    66    68    38   0.18000  1.0 1.0
   69    66    68    38   0.16450 -1.0 2.0
   69    66    68    38   0.04450  1.0 3.0
   69    66    68    71   0.67800  1.0 1.0
   69    66    68    71   0.47050 -1.0 2.0
   69    66    68    71  -0.62500  1.0 3.0
   49    43    46    47   0.62750  1.0 1.0
   49    43    46    47  -0.30950 -1.0 2.0
   49    43    46    47   0.27300  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43    46    54  -0.95700  1.0 1.0
   49    43    46    54  -0.18200 -1.0 2.0
   49    43    46    54   0.29450  1.0 3.0
   49    56    62    63   0.15000  1.0 3.0
   49    56    62    64   0.15000  1.0 3.0
   49    56    62    65   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    62   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    62   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    65   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    65   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   42    45    41    37   1.10000 -1.0 2.0
   33    45    52    53  10.50000 -1.0 2.0
   46    59    54    55  10.50000 -1.0 2.0
   66    38    68    71   1.10000 -1.0 2.0
   73    72    71    68   1.10000 -1.0 2.0
END
