* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    120    189     349
    1     0 S   NP   _N1_     1    29.14623    92.35734   -20.66322
    2     1 S   H    _HN1     2     1.02973    27.61680   112.83351
    3     1 S   H    _H1_     3     1.02791    82.98852   -93.11096
    4     1 S   H    _H2_     4     1.02860   104.89103    13.96578
    5     1 S   CT   _CA1     5     1.50567   132.68290   153.16634
    6     5 S   HC   _HA1     6     1.09679   104.63388    45.09161
    7     5 S   CO3  _C1_     7     1.54434   110.83789   -70.71272
    8     7 S   O2Z  _O11     8     1.26079   116.77801  -121.64212
    9     7 S   O2Z  _O12     9     1.26549   113.76034    57.46073
   10     5 S   CT   _CB1    10     1.53066   106.97089   161.18691
   11    10 S   HC   HB11    11     1.09836   109.92640   -41.93736
   12    10 S   HC   HB12    12     1.09806   110.07483    74.62709
   13    10 S   CT   _CG1    13     1.53130   112.61053  -162.66683
   14    13 S   HC   HG11    14     1.09463   110.82698   -54.79721
   15    13 S   HC   HG12    15     1.09624   110.09718    64.22819
   16    13 S   C    _CD1    16     1.51781   111.66031  -175.97022
   17    16 S   O    _OE1    17     1.22777   122.96819   -16.33148
   18    16 S   N    _N2_    18     1.38579   112.01653   164.34667
   19    18 S   H    _HN2    19     1.01586   119.22826     1.81736
   20    18 S   CT1  _CA2    20     1.46293   123.13475  -176.05429
   21    20 S   HC   _HA2    21     1.09724   109.37113   -12.22511
   22    20 S   C    _C2_    22     1.53349   108.64403  -128.17756
   23    22 S   O    _O2_    23     1.23020   122.20064  -146.91337
   24    20 S   CT   _CB2    32     1.53496   111.19440   109.54615
   25    24 S   HC   HB21    33     1.09427   109.30430    59.65994
   26    24 S   HC   HB22    34     1.09518   110.64997   177.67157
   27    22 S   N    _N3_    24     1.38497   113.40053    40.50300
   28    27 S   H    _HN3    25     1.01526   118.89241    -0.62024
   29    24 S   S    _SG2    35     1.82991   111.46797   -62.84800
   30    27 S   CT   _CA3    26     1.45446   123.44013   175.11509
   31    30 S   HC   HA31    27     1.09524   109.21899    24.71663
   32    30 S   HC   HA32    28     1.09495   107.12641   141.71614
   33    29 S   CT   _C19    36     1.84105   100.36699   148.67633
   34    33 S   HC   _H3_    37     1.09705   104.32534    54.98060
   35    30 S   CO3  _C3_    29     1.52924   113.12749   -98.74958
   36    35 S   O2Z  _O31    30     1.26401   115.40834   -44.39296
   37    35 S   O2Z  _O32    31     1.26355   114.98041   136.54278
   38    33 S   CA   _C10    38     1.52196   113.64348   -63.09653
   39    33 S   C5A  _C17    51     1.49726   110.01712   170.54986
   40    38 S   CA   _C5_    39     1.40611   119.12170   129.24097
   41    40 S   HA   _H25    40     1.08794   120.24511    -0.32264
   42    39 S   C5B  _C11    52     1.37582   134.56203  -120.05473
   43    42 S   OM   _O17    53     1.33208   125.81186     0.40638
   44    39 S   OA   _O18    62     1.36872   116.82033    60.67804
   45    40 S   CA   _C7_    41     1.39644   120.96798   179.75611
   46    45 S   HA   _H27    42     1.08611   119.33700   179.69545
   47    42 S   C56B _C9_    54     1.41738   108.22552  -179.58175
   48    45 S   CA   _C14    43     1.39228   119.67644    -0.46182
   49    47 S   CA   _C4_    55     1.40848   136.05777  -179.48528
   50    49 S   HA   _H24    56     1.08614   120.71201    -0.04423
   51    48 S   CA   _C15    44     1.39185   120.16571    -0.28046
   52    48 S   OH   _O20    49     1.36728   120.43345   179.96044
   53    52 S   HO   _H34    50     0.97192   108.69847     0.45111
   54    49 S   CA   _C6_    57     1.39837   119.13920   179.58410
   55    54 S   HA   _H26    58     1.08679   118.83303  -179.61083
   56    38 S   CA   _C8_    45     1.40630   122.36174   -52.12637
   57    56 S   HA   _H28    46     1.08721   120.10640     0.31279
   58    51 S   OH   _O21    47     1.36719   119.14416  -179.48718
   59    58 S   HO   _H35    48     0.97632   109.20746   177.17409
   60    54 S   CA   _C13    59     1.39619   120.45367     0.37430
   61    60 S   CA   _C16    60     1.40519   122.23913     0.37220
   62    60 S   OH   _O19    68     1.37336   119.37095  -179.92338
   63    62 S   HO   _H33    69     0.97196   108.77145     0.28255
   64    47 S   C56A _C12    61     1.39700   105.29109     0.50629
   65    61 S   OS   _O22    63     1.38364   116.64130  -179.58222
   66    65 S   CT   _C18    64     1.42144   116.67411  -167.56990
   67    66 S   HC   _H29    65     1.09444   107.63927   171.12960
   68    66 S   HC   _H30    66     1.09496   111.56107    53.46341
   69    66 S   HC   _H31    67     1.09432   110.90915   -71.66255
  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
  14   6   2   1   1  12   9   8   4   8   4   6   7   3   8   7
   7   4   6   3   1   7   3   3   1   1   1   6   8   3   1   2
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    56    39    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    51    56    57    39    42    43    47    64    44  
   38    40    56    39    42    44  
   36    37  
   37  
    0  
   40    41    45    46    48    51    56    57    58    39    42    44  
   42    43    47    49    61    64    44    40    56  
   41    45    46    48    51    56    57    52  
   45    46    48    56  
   43    47    49    50    54    61    64    44  
   47    49    64    44  
   65    47    49    60    61    64  
   46    48    51    56    58    52    53  
   48    51    52  
   49    50    54    55    60    61    64    65  
   51    56    57    58    59    52    53  
   50    54    55    60    61    64    62  
   54    55    60    64  
   56    57    58    59    52    53  
   53    56    58  
    0  
   55    60    61    64    65    62    63  
   60    61    62  
   57    58    59  
   58  
   59  
    0  
   61    64    65    66    62    63  
   64    65    66    67    68    69    62    63  
   63    64    65  
    0  
   65    66  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    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   0.337500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.442700   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.177000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.029000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   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   340.000  1.090
   33    38   317.000  1.510
   33    39   295.000  1.489
   38    40   469.000  1.400
   38    56   469.000  1.400
   40    41   367.000  1.080
   40    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    56   469.000  1.400
   51    58   450.000  1.364
   56    57   367.000  1.080
   58    59   553.000  0.945
   52    53   553.000  0.945
   39    42   520.000  1.370
   39    44   340.000  1.360
   42    43   480.000  1.345
   42    47   380.000  1.440
   47    49   469.000  1.404
   47    64   447.000  1.419
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   469.000  1.400
   60    62   450.000  1.364
   61    64   469.000  1.400
   61    65   450.000  1.364
   64    44   425.000  1.380
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    80.00000  109.48900
   33    38    40    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    42    55.00000  130.44200
   33    39    44    80.00000  116.10000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   40    45    46    35.00000  120.00000
   40    45    48    63.00000  120.00000
   45    40    41    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    58    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    59    35.00000  113.00000
   56    38    40    63.00000  120.00000
   58    51    56    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    45.00000  110.47400
   39    33    38    70.00000  112.04700
   39    42    43    75.00000  125.18600
   39    42    47    80.00000  105.82900
   39    44    64   110.00000  105.28000
   42    47    49    50.00000  134.85500
   42    47    64    80.00000  107.43600
   47    42    43    70.00000  112.00000
   47    49    50    35.00000  120.00000
   47    49    54    63.00000  120.00000
   47    64    61    85.00000  122.70000
   47    64    44   100.00000  108.43400
   49    54    55    35.00000  120.00000
   49    54    60    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    60    61    63.00000  120.00000
   54    60    62    70.00000  120.00000
   60    54    55    35.00000  120.00000
   60    61    64    85.00000  120.00000
   60    61    65    70.00000  120.00000
   60    62    63    35.00000  113.00000
   61    64    44    70.00000  124.10000
   61    65    66    75.00000  111.00000
   64    47    49    85.00000  116.20000
   44    39    42    70.00000  108.00000
   65    61    64    70.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   62    60    61    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    42  -0.16000  1.0 1.0
   29    33    39    42  -0.03200 -1.0 2.0
   29    33    39    42   0.04500  1.0 3.0
   29    33    39    44   0.04300 -1.0 2.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    42    43   3.62500 -1.0 2.0
   33    39    42    47   3.62500 -1.0 2.0
   33    39    44    64   3.62500 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    44   0.00000  1.0 1.0
   38    33    39    42   0.04300 -1.0 2.0
   38    33    39    44   0.04300 -1.0 2.0
   38    40    45    46   3.62500 -1.0 2.0
   38    40    45    48   3.62500 -1.0 2.0
   40    38    56    51   3.62500 -1.0 2.0
   40    38    56    57   3.62500 -1.0 2.0
   40    45   -48    51   3.62500 -1.0 2.0
   40    45    48    52   3.62500 -1.0 2.0
   41    40    45    46   3.62500 -1.0 2.0
   41    40    45    48   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    58    59   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   56    38    40    41   3.62500 -1.0 2.0
   56    38   -40    45   3.62500 -1.0 2.0
   56    51    58    59   0.84100 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   52    48    51    56   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   39    33    38    40   0.04300 -1.0 2.0
   39    33    38    56   0.04300 -1.0 2.0
   39    42    47    49   3.62500 -1.0 2.0
   39    42   -47    64   3.50000 -1.0 2.0
   42    39   -44    64   3.62500 -1.0 2.0
   42    47    49    50   3.62500 -1.0 2.0
   42    47    49    54   3.62500 -1.0 2.0
   42    47    64    61   3.00000 -1.0 2.0
   42    47   -64    44   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   43    42    47    64   3.62500 -1.0 2.0
   47    49    54    55   3.62500 -1.0 2.0
   47    49    54    60   3.62500 -1.0 2.0
   47    64   -44    39   3.62500 -1.0 2.0
   49    47    64    61   3.00000 -1.0 2.0
   49    47    64    44   3.62500 -1.0 2.0
   49    54   -60    61   3.62500 -1.0 2.0
   49    54    60    62   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    60   3.62500 -1.0 2.0
   54    60    61    64   3.62500 -1.0 2.0
   54    60    61    65   3.62500 -1.0 2.0
   54    60    62    63   0.84100 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    62   3.62500 -1.0 2.0
   60    61   -64    47   3.62500 -1.0 2.0
   60    61    64    44   3.62500 -1.0 2.0
   60    61    65    66   1.63200 -1.0 2.0
   61    60    62    63   0.84100 -1.0 2.0
   61    64    44    39   3.62500 -1.0 2.0
   61    65    66    67   0.08050  1.0 3.0
   61    65    66    68   0.08050  1.0 3.0
   61    65    66    69   0.08050  1.0 3.0
   64    47    49    50   3.50000 -1.0 2.0
   64    47   -49    54   3.50000 -1.0 2.0
   64    61    65    66   1.63200 -1.0 2.0
   44    39    42    43   3.62500 -1.0 2.0
   44    39   -42    47   3.62500 -1.0 2.0
   65    61    64    47   3.62500 -1.0 2.0
   65    61    64    44   3.62500 -1.0 2.0
   62    60    61    64   3.62500 -1.0 2.0
   62    60    61    65   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   40    56    38    33   4.00000 -1.0 2.0
   45    41    40    38   1.10000 -1.0 2.0
   48    46    45    40   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   56    58    51    48   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   42    44    39    33   4.00000 -1.0 2.0
   47    43    42    39   4.00000 -1.0 2.0
   49    64    47    42   4.00000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   60    55    54    49   1.10000 -1.0 2.0
   61    62    60    54   4.00000 -1.0 2.0
   64    65    61    60   4.00000 -1.0 2.0
   61    44    64    47   4.00000 -1.0 2.0
END
